*HEADER    DNA BINDING PROTEIN                     17-SEP-19   6UCP              
*TITLE     ZINC FINGER 2 FROM THE TRANSCRIPTION FACTOR SP1 DNA BINDING DOMAIN    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTION FACTOR SP1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER 2, RESIDUES 654-684;                           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ZINC FINGER, DNA BINDING PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.R.RAO,W.S.HORNE                                                     
*REVDAT   1   24-JUN-20 6UCP    0                                                
# Restraints file 1: wsh2018_dihedrals.tbl
!Phi angle constraints

!C5
 assign (resid  4  and name C ) (resid  5  and name N ) 
        (resid  5  and name CA) (resid  5  and name C )   1.0  -65.0 25.0 2
!K12
 assign (resid  11  and name C ) (resid  12  and name N ) 
        (resid  12  and name CA) (resid  12  and name C )   1.0  -65.0 25.0 2
!R13
 assign (resid 12  and name C ) (resid 13  and name N ) 
        (resid 13  and name CA) (resid 13  and name C )   1.0  -120.0 40.0 2
!F14
 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
!R16
 assign (resid 15  and name C ) (resid 16  and name N ) 
        (resid 16  and name CA) (resid 16  and name C )   1.0  -120.0 40.0 2
!E19
 assign (resid  18  and name C ) (resid  19  and name N ) 
        (resid  19  and name CA) (resid  19  and name C )   1.0  -65.0 25.0 2
# Restraints file 2: wsh2018_ambig.tbl
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name  HB1) 1.756 0.385 0.385 weight 1.000 ! spec=NOESY, no=6, id=3, vol=2.840000e+08
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name  HB1)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HG2)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HG1)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HG2) 2.095 0.549 0.549 weight 1.000 ! spec=NOESY, no=26, id=23, vol=9.830000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HG1)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.160 0.583 0.583 weight 1.000 ! spec=NOESY, no=30, id=27, vol=8.190000e+07
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HE2) 2.243 0.629 0.629 weight 1.000 ! spec=NOESY, no=40, id=37, vol=6.530000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HE2)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name  HD2)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name  HD1)
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HD2)
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name   HA) 2.319 0.672 0.672 weight 1.000 ! spec=NOESY, no=55, id=52, vol=5.350000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name   HA)
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid   11 and name  HA2) 2.340 0.684 0.684 weight 1.000 ! spec=NOESY, no=64, id=61, vol=5.070000e+07
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid   11 and name  HA2)
    or (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HA)
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HA)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HA)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.388 0.713 0.713 weight 1.000 ! spec=NOESY, no=76, id=73, vol=4.490000e+07
    or (segid "    " and resid   26 and name   HB) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN) 2.491 0.776 0.776 weight 1.000 ! spec=NOESY, no=118, id=115, vol=3.480000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid    3 and name  HB2) 2.571 0.826 0.826 weight 1.000 ! spec=NOESY, no=148, id=145, vol=2.880000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   17 and name   HA)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1) 2.571 0.826 0.826 weight 1.000 ! spec=NOESY, no=149, id=146, vol=2.880000e+07
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB1)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HN) 2.669 0.891 0.891 weight 1.000 ! spec=NOESY, no=193, id=190, vol=2.300000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.710 0.918 0.918 weight 1.000 ! spec=NOESY, no=208, id=205, vol=2.100000e+07
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   24 and name   HN) 2.804 0.983 0.983 weight 1.000 ! spec=NOESY, no=240, id=237, vol=1.710000e+07
    or (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid    7 and name  HE3) 2.813 0.989 0.989 weight 1.000 ! spec=NOESY, no=243, id=240, vol=1.680000e+07
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid    7 and name  HZ2)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name   HN) 2.816 0.991 0.991 weight 1.000 ! spec=NOESY, no=246, id=243, vol=1.670000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   22 and name   HN) 2.816 0.991 0.991 weight 1.000 ! spec=NOESY, no=247, id=244, vol=1.670000e+07
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HN) 2.851 1.016 1.016 weight 1.000 ! spec=NOESY, no=267, id=263, vol=1.550000e+07
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   20 and name HD22) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name  HE1) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=270, id=266, vol=1.540000e+07
    or (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name  HD2) 2.857 1.020 1.020 weight 1.000 ! spec=NOESY, no=272, id=268, vol=1.530000e+07
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HN) 2.900 1.051 1.051 weight 1.000 ! spec=NOESY, no=283, id=279, vol=1.400000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HE1) 2.910 1.059 1.059 weight 1.000 ! spec=NOESY, no=288, id=284, vol=1.370000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   24 and name   HN) 2.917 1.064 1.064 weight 1.000 ! spec=NOESY, no=289, id=285, vol=1.350000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   20 and name   HN) 2.921 1.066 1.066 weight 1.000 ! spec=NOESY, no=291, id=287, vol=1.340000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HD1) 2.971 1.103 1.103 weight 1.000 ! spec=NOESY, no=314, id=310, vol=1.210000e+07
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HG1) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=319, id=315, vol=1.190000e+07
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid    2 and name  HG1)
assign (segid "    " and resid   29 and name  HA1) (segid "    " and resid   29 and name   HN) 2.996 1.122 1.122 weight 1.000 ! spec=NOESY, no=327, id=323, vol=1.150000e+07
    or (segid "    " and resid   29 and name  HA1) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name   HN) 2.996 1.122 1.122 weight 1.000 ! spec=NOESY, no=328, id=324, vol=1.150000e+07
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name   HZ) 3.009 1.132 1.132 weight 1.000 ! spec=NOESY, no=330, id=326, vol=1.120000e+07
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name   HZ)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid    1 and name  HG2) (segid "    " and resid    2 and name  HD2) 3.014 1.135 1.135 weight 1.000 ! spec=NOESY, no=331, id=327, vol=1.110000e+07
    or (segid "    " and resid    1 and name  HG1) (segid "    " and resid    2 and name  HD2)
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   10 and name   HN) 3.062 1.172 1.172 weight 1.000 ! spec=NOESY, no=348, id=344, vol=1.010000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name   HN) 3.070 1.178 1.178 weight 1.000 ! spec=NOESY, no=354, id=349, vol=9.940000e+06
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD2) 3.090 1.193 1.193 weight 1.000 ! spec=NOESY, no=362, id=357, vol=9.560000e+06
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name  HD2) 3.103 1.204 1.204 weight 1.000 ! spec=NOESY, no=371, id=366, vol=9.320000e+06
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   18 and name  HB2) 3.104 1.204 1.204 weight 1.000 ! spec=NOESY, no=372, id=367, vol=9.300000e+06
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name  HB2)
    or (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HB1)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HB1)
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid    3 and name  HD1) 3.106 1.206 1.206 weight 1.000 ! spec=NOESY, no=374, id=369, vol=9.260000e+06
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name   HZ) 3.122 1.218 1.218 weight 1.000 ! spec=NOESY, no=381, id=375, vol=8.990000e+06
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   14 and name  HD1) 3.141 1.233 1.233 weight 1.000 ! spec=NOESY, no=386, id=380, vol=8.670000e+06
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   22 and name   HN) 3.147 1.238 1.238 weight 1.000 ! spec=NOESY, no=387, id=381, vol=8.560000e+06
    or (segid "    " and resid   25 and name  HG2) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   31 and name   HN) 3.150 1.241 1.241 weight 1.000 ! spec=NOESY, no=390, id=384, vol=8.510000e+06
    or (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name   HN)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   22 and name   HN) 3.169 1.256 1.256 weight 1.000 ! spec=NOESY, no=400, id=394, vol=8.210000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   22 and name   HN) 3.217 1.293 1.293 weight 1.000 ! spec=NOESY, no=410, id=404, vol=7.510000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   29 and name  HA2) (segid "    " and resid   29 and name   HN) 3.217 1.294 1.294 weight 1.000 ! spec=NOESY, no=411, id=405, vol=7.500000e+06
    or (segid "    " and resid   29 and name  HA2) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   23 and name   HN) 3.229 1.303 1.303 weight 1.000 ! spec=NOESY, no=417, id=410, vol=7.340000e+06
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   12 and name  HE2) (segid "    " and resid   23 and name  HE1) 3.233 1.306 1.306 weight 1.000 ! spec=NOESY, no=419, id=412, vol=7.290000e+06
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   27 and name  HE1) 3.239 1.311 1.311 weight 1.000 ! spec=NOESY, no=423, id=416, vol=7.210000e+06
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   27 and name  HE1)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   27 and name  HE1)
    or (segid "    " and resid   26 and name HG21) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name  HE1) 3.243 1.315 1.315 weight 1.000 ! spec=NOESY, no=425, id=418, vol=7.150000e+06
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name  HE2)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name  HE1)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name  HE2)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HE1)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HE2)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HD1) 3.261 1.329 1.329 weight 1.000 ! spec=NOESY, no=432, id=425, vol=6.920000e+06
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid    2 and name  HD1)
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   26 and name HG21) 3.304 1.364 1.364 weight 1.000 ! spec=NOESY, no=452, id=443, vol=6.400000e+06
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   26 and name HG22)
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   26 and name HG23)
    or (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG21)
    or (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG22)
    or (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG23)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   22 and name   HN) 3.306 1.366 1.366 weight 1.000 ! spec=NOESY, no=454, id=445, vol=6.370000e+06
    or (segid "    " and resid   24 and name  HB2) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid   21 and name   HN) 3.355 1.407 1.407 weight 1.000 ! spec=NOESY, no=467, id=458, vol=5.830000e+06
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   20 and name HD12) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid    7 and name  HE3) 3.370 1.420 1.420 weight 1.000 ! spec=NOESY, no=469, id=460, vol=5.680000e+06
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid    7 and name  HZ2)
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name   HN) 3.385 1.432 1.432 weight 1.000 ! spec=NOESY, no=476, id=467, vol=5.530000e+06
    or (segid "    " and resid   25 and name   HN) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   26 and name   HN) 3.413 1.456 1.456 weight 1.000 ! spec=NOESY, no=482, id=472, vol=5.260000e+06
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HE1) 3.513 1.542 1.542 weight 1.000 ! spec=NOESY, no=509, id=498, vol=4.430000e+06
    or (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HE1)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   23 and name   HN) 3.608 1.627 1.627 weight 1.000 ! spec=NOESY, no=522, id=511, vol=3.770000e+06
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   23 and name   HN)
    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   28 and name HG21) (segid "    " and resid    7 and name  HZ2) 3.844 1.847 1.847 weight 1.000 ! spec=NOESY, no=534, id=522, vol=2.580000e+06
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid    7 and name  HZ2)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid    7 and name  HZ2)
    or (segid "    " and resid   28 and name HG21) (segid "    " and resid    7 and name  HE3)
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid    7 and name  HE3)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid    7 and name  HE3)
# Restraints file 3: wsh2018_unambig.tbl
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HG2) 1.462 0.267 0.267 weight 1.000 ! spec=NOESY, no=3, id=0, vol=8.520000e+08
    or (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HG1)
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HG2)
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name  HB2) 1.632 0.333 0.333 weight 1.000 ! spec=NOESY, no=4, id=1, vol=4.400000e+08
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   22 and name  HD2) 1.694 0.359 0.359 weight 1.000 ! spec=NOESY, no=5, id=2, vol=3.520000e+08
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HB2) 1.762 0.388 0.388 weight 1.000 ! spec=NOESY, no=7, id=4, vol=2.780000e+08
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HB2) 1.774 0.393 0.393 weight 1.000 ! spec=NOESY, no=8, id=5, vol=2.670000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HB2) 1.795 0.403 0.403 weight 1.000 ! spec=NOESY, no=9, id=6, vol=2.490000e+08
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name  HB2) 1.838 0.422 0.422 weight 1.000 ! spec=NOESY, no=10, id=7, vol=2.160000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name  HB2) 1.845 0.425 0.425 weight 1.000 ! spec=NOESY, no=11, id=8, vol=2.110000e+08
assign (segid "    " and resid    7 and name  HZ3) (segid "    " and resid    7 and name  HH2) 1.846 0.426 0.426 weight 1.000 ! spec=NOESY, no=12, id=9, vol=2.100000e+08
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HB2) 1.861 0.433 0.433 weight 1.000 ! spec=NOESY, no=13, id=10, vol=2.000000e+08
    or (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HB1)
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HB2)
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2) 1.881 0.442 0.442 weight 1.000 ! spec=NOESY, no=14, id=11, vol=1.880000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HB2) 1.886 0.445 0.445 weight 1.000 ! spec=NOESY, no=15, id=12, vol=1.850000e+08
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HB1) 1.898 0.450 0.450 weight 1.000 ! spec=NOESY, no=16, id=13, vol=1.780000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HB2) 1.930 0.466 0.466 weight 1.000 ! spec=NOESY, no=17, id=14, vol=1.610000e+08
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HB2) 1.946 0.474 0.474 weight 1.000 ! spec=NOESY, no=18, id=15, vol=1.530000e+08
assign (segid "    " and resid    9 and name  HE1) (segid "    " and resid    9 and name  HD1) 1.997 0.499 0.499 weight 1.000 ! spec=NOESY, no=19, id=16, vol=1.310000e+08
    or (segid "    " and resid    9 and name  HE1) (segid "    " and resid    9 and name  HD2)
    or (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HD1)
    or (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HD2)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name  HE1) 2.003 0.501 0.501 weight 1.000 ! spec=NOESY, no=20, id=17, vol=1.290000e+08
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD12) 2.003 0.501 0.501 weight 1.000 ! spec=NOESY, no=21, id=18, vol=1.290000e+08
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid   14 and name  HD1) 2.038 0.519 0.519 weight 1.000 ! spec=NOESY, no=22, id=19, vol=1.160000e+08
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HE1) 2.069 0.535 0.535 weight 1.000 ! spec=NOESY, no=24, id=21, vol=1.060000e+08
    or (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HB2) 2.079 0.540 0.540 weight 1.000 ! spec=NOESY, no=25, id=22, vol=1.030000e+08
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name  HB2) 2.104 0.554 0.554 weight 1.000 ! spec=NOESY, no=27, id=24, vol=9.580000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name  HB2)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD22) 2.130 0.567 0.567 weight 1.000 ! spec=NOESY, no=28, id=25, vol=8.910000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.153 0.579 0.579 weight 1.000 ! spec=NOESY, no=29, id=26, vol=8.350000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HG2) 2.164 0.585 0.585 weight 1.000 ! spec=NOESY, no=31, id=28, vol=8.100000e+07
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HG1)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HG2)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HG1)
assign (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG21) 2.172 0.590 0.590 weight 1.000 ! spec=NOESY, no=32, id=29, vol=7.930000e+07
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG23)
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HB) 2.173 0.590 0.590 weight 1.000 ! spec=NOESY, no=33, id=30, vol=7.900000e+07
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HB)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HB)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HA) 2.184 0.596 0.596 weight 1.000 ! spec=NOESY, no=34, id=31, vol=7.660000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HN) 2.196 0.603 0.603 weight 1.000 ! spec=NOESY, no=35, id=32, vol=7.410000e+07
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA) 2.216 0.614 0.614 weight 1.000 ! spec=NOESY, no=36, id=33, vol=7.020000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD1) 2.219 0.615 0.615 weight 1.000 ! spec=NOESY, no=37, id=34, vol=6.970000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HA) 2.232 0.623 0.623 weight 1.000 ! spec=NOESY, no=38, id=35, vol=6.730000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HA) 2.235 0.625 0.625 weight 1.000 ! spec=NOESY, no=39, id=36, vol=6.670000e+07
assign (segid "    " and resid    7 and name  HZ3) (segid "    " and resid    7 and name  HE3) 2.250 0.633 0.633 weight 1.000 ! spec=NOESY, no=41, id=38, vol=6.410000e+07
assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid    4 and name  HD2) 2.252 0.634 0.634 weight 1.000 ! spec=NOESY, no=42, id=39, vol=6.380000e+07
    or (segid "    " and resid    4 and name  HE2) (segid "    " and resid    4 and name  HD1)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid    4 and name  HD2)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid    4 and name  HD1)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid    4 and name  HD2)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid    4 and name  HD1)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HN) 2.255 0.636 0.636 weight 1.000 ! spec=NOESY, no=43, id=40, vol=6.320000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.264 0.641 0.641 weight 1.000 ! spec=NOESY, no=45, id=42, vol=6.170000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD1) 2.269 0.643 0.643 weight 1.000 ! spec=NOESY, no=46, id=43, vol=6.100000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HD2) 2.271 0.644 0.644 weight 1.000 ! spec=NOESY, no=47, id=44, vol=6.070000e+07
assign (segid "    " and resid    7 and name  HH2) (segid "    " and resid    7 and name  HZ2) 2.272 0.645 0.645 weight 1.000 ! spec=NOESY, no=48, id=45, vol=6.050000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.285 0.653 0.653 weight 1.000 ! spec=NOESY, no=49, id=46, vol=5.840000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name   HA) 2.287 0.654 0.654 weight 1.000 ! spec=NOESY, no=50, id=47, vol=5.820000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD12) 2.301 0.662 0.662 weight 1.000 ! spec=NOESY, no=51, id=48, vol=5.600000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.305 0.664 0.664 weight 1.000 ! spec=NOESY, no=52, id=49, vol=5.550000e+07
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG21) 2.309 0.666 0.666 weight 1.000 ! spec=NOESY, no=53, id=50, vol=5.490000e+07
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.318 0.672 0.672 weight 1.000 ! spec=NOESY, no=54, id=51, vol=5.360000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.323 0.674 0.674 weight 1.000 ! spec=NOESY, no=56, id=53, vol=5.300000e+07
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   23 and name  HD2) 2.330 0.679 0.679 weight 1.000 ! spec=NOESY, no=57, id=54, vol=5.200000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD12) 2.331 0.679 0.679 weight 1.000 ! spec=NOESY, no=58, id=55, vol=5.190000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HD1) 2.331 0.679 0.679 weight 1.000 ! spec=NOESY, no=59, id=56, vol=5.190000e+07
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name  HB2) 2.334 0.681 0.681 weight 1.000 ! spec=NOESY, no=60, id=57, vol=5.140000e+07
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name  HB1)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HA) 2.336 0.682 0.682 weight 1.000 ! spec=NOESY, no=61, id=58, vol=5.120000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HA) 2.339 0.684 0.684 weight 1.000 ! spec=NOESY, no=62, id=59, vol=5.080000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HN) 2.339 0.684 0.684 weight 1.000 ! spec=NOESY, no=63, id=60, vol=5.080000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.341 0.685 0.685 weight 1.000 ! spec=NOESY, no=65, id=62, vol=5.050000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.358 0.695 0.695 weight 1.000 ! spec=NOESY, no=66, id=63, vol=4.840000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD1) 2.360 0.696 0.696 weight 1.000 ! spec=NOESY, no=67, id=64, vol=4.820000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD1)
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   19 and name  HB1) 2.360 0.696 0.696 weight 1.000 ! spec=NOESY, no=68, id=65, vol=4.810000e+07
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   19 and name  HB1)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name   HN) 2.363 0.698 0.698 weight 1.000 ! spec=NOESY, no=69, id=66, vol=4.780000e+07
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HD1) 2.365 0.699 0.699 weight 1.000 ! spec=NOESY, no=70, id=67, vol=4.760000e+07
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HD1)
assign (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG21) 2.370 0.702 0.702 weight 1.000 ! spec=NOESY, no=71, id=68, vol=4.700000e+07
    or (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG22)
    or (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG23)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 2.370 0.702 0.702 weight 1.000 ! spec=NOESY, no=72, id=69, vol=4.690000e+07
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG21) 2.372 0.703 0.703 weight 1.000 ! spec=NOESY, no=73, id=70, vol=4.670000e+07
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG23)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD2) 2.382 0.709 0.709 weight 1.000 ! spec=NOESY, no=74, id=71, vol=4.560000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD2) 2.386 0.712 0.712 weight 1.000 ! spec=NOESY, no=75, id=72, vol=4.510000e+07
    or (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HD1)
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HA) 2.391 0.715 0.715 weight 1.000 ! spec=NOESY, no=78, id=75, vol=4.450000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name   HA) 2.393 0.716 0.716 weight 1.000 ! spec=NOESY, no=79, id=76, vol=4.430000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   19 and name   HA)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HN) 2.394 0.716 0.716 weight 1.000 ! spec=NOESY, no=80, id=77, vol=4.420000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD1) 2.412 0.728 0.728 weight 1.000 ! spec=NOESY, no=81, id=78, vol=4.220000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HD1)
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HD1) 2.412 0.728 0.728 weight 1.000 ! spec=NOESY, no=82, id=79, vol=4.220000e+07
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HD2)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HA) 2.413 0.728 0.728 weight 1.000 ! spec=NOESY, no=83, id=80, vol=4.210000e+07
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.413 0.728 0.728 weight 1.000 ! spec=NOESY, no=84, id=81, vol=4.210000e+07
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD1) 2.413 0.728 0.728 weight 1.000 ! spec=NOESY, no=85, id=82, vol=4.210000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HN) 2.417 0.730 0.730 weight 1.000 ! spec=NOESY, no=86, id=83, vol=4.170000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.419 0.732 0.732 weight 1.000 ! spec=NOESY, no=87, id=84, vol=4.150000e+07
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid   23 and name  HD2) 2.420 0.732 0.732 weight 1.000 ! spec=NOESY, no=88, id=85, vol=4.140000e+07
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    2 and name  HD2) (segid "    " and resid    1 and name   HA) 2.422 0.733 0.733 weight 1.000 ! spec=NOESY, no=89, id=86, vol=4.120000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB1) 2.424 0.735 0.735 weight 1.000 ! spec=NOESY, no=91, id=88, vol=4.100000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD22) 2.424 0.735 0.735 weight 1.000 ! spec=NOESY, no=92, id=89, vol=4.100000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name  HG2) 2.431 0.739 0.739 weight 1.000 ! spec=NOESY, no=93, id=90, vol=4.030000e+07
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name  HG1)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD2) 2.435 0.741 0.741 weight 1.000 ! spec=NOESY, no=94, id=91, vol=3.990000e+07
    or (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD1)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HD2)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HD2) 2.436 0.742 0.742 weight 1.000 ! spec=NOESY, no=95, id=92, vol=3.980000e+07
    or (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD2) 2.437 0.742 0.742 weight 1.000 ! spec=NOESY, no=96, id=93, vol=3.970000e+07
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.442 0.746 0.746 weight 1.000 ! spec=NOESY, no=97, id=94, vol=3.920000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD12) 2.444 0.747 0.747 weight 1.000 ! spec=NOESY, no=98, id=95, vol=3.900000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.445 0.748 0.748 weight 1.000 ! spec=NOESY, no=99, id=96, vol=3.890000e+07
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name   HA) 2.445 0.748 0.748 weight 1.000 ! spec=NOESY, no=100, id=97, vol=3.890000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.447 0.748 0.748 weight 1.000 ! spec=NOESY, no=101, id=98, vol=3.880000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HD1) 2.449 0.749 0.749 weight 1.000 ! spec=NOESY, no=102, id=99, vol=3.860000e+07
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HD2)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD12) 2.449 0.749 0.749 weight 1.000 ! spec=NOESY, no=103, id=100, vol=3.860000e+07
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD12) 2.449 0.749 0.749 weight 1.000 ! spec=NOESY, no=104, id=101, vol=3.860000e+07
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid    3 and name  HB1) 2.451 0.751 0.751 weight 1.000 ! spec=NOESY, no=105, id=102, vol=3.840000e+07
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HA) 2.454 0.753 0.753 weight 1.000 ! spec=NOESY, no=106, id=103, vol=3.810000e+07
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HD2) 2.454 0.753 0.753 weight 1.000 ! spec=NOESY, no=107, id=104, vol=3.810000e+07
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HD2)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    7 and name  HE1) 2.458 0.755 0.755 weight 1.000 ! spec=NOESY, no=108, id=105, vol=3.770000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA) 2.467 0.761 0.761 weight 1.000 ! spec=NOESY, no=109, id=106, vol=3.690000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HN) 2.469 0.762 0.762 weight 1.000 ! spec=NOESY, no=110, id=107, vol=3.670000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.472 0.764 0.764 weight 1.000 ! spec=NOESY, no=111, id=108, vol=3.650000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.475 0.766 0.766 weight 1.000 ! spec=NOESY, no=112, id=109, vol=3.620000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.477 0.767 0.767 weight 1.000 ! spec=NOESY, no=113, id=110, vol=3.600000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.478 0.768 0.768 weight 1.000 ! spec=NOESY, no=114, id=111, vol=3.590000e+07
assign (segid "    " and resid    1 and name  HG2) (segid "    " and resid    1 and name  HD2) 2.481 0.769 0.769 weight 1.000 ! spec=NOESY, no=115, id=112, vol=3.570000e+07
    or (segid "    " and resid    1 and name  HG2) (segid "    " and resid    1 and name  HD1)
    or (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD2)
    or (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB1) 2.484 0.771 0.771 weight 1.000 ! spec=NOESY, no=116, id=113, vol=3.540000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD22) 2.488 0.774 0.774 weight 1.000 ! spec=NOESY, no=117, id=114, vol=3.510000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   22 and name   HN) 2.496 0.779 0.779 weight 1.000 ! spec=NOESY, no=119, id=116, vol=3.440000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HN) 2.500 0.781 0.781 weight 1.000 ! spec=NOESY, no=120, id=117, vol=3.410000e+07
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   22 and name   HA) 2.502 0.783 0.783 weight 1.000 ! spec=NOESY, no=121, id=118, vol=3.390000e+07
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HA) 2.505 0.784 0.784 weight 1.000 ! spec=NOESY, no=122, id=119, vol=3.370000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN) 2.505 0.784 0.784 weight 1.000 ! spec=NOESY, no=123, id=120, vol=3.370000e+07
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG21) 2.512 0.789 0.789 weight 1.000 ! spec=NOESY, no=124, id=121, vol=3.310000e+07
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG22)
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG23)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 2.516 0.791 0.791 weight 1.000 ! spec=NOESY, no=125, id=122, vol=3.280000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD2) 2.519 0.793 0.793 weight 1.000 ! spec=NOESY, no=126, id=123, vol=3.260000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   27 and name  HE1) 2.520 0.794 0.794 weight 1.000 ! spec=NOESY, no=127, id=124, vol=3.250000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name   HA) 2.520 0.794 0.794 weight 1.000 ! spec=NOESY, no=128, id=125, vol=3.250000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name   HA)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD12) 2.521 0.795 0.795 weight 1.000 ! spec=NOESY, no=129, id=126, vol=3.240000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   10 and name  HB2) 2.522 0.795 0.795 weight 1.000 ! spec=NOESY, no=130, id=127, vol=3.230000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   21 and name   HA) 2.525 0.797 0.797 weight 1.000 ! spec=NOESY, no=131, id=128, vol=3.210000e+07
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.526 0.798 0.798 weight 1.000 ! spec=NOESY, no=132, id=129, vol=3.200000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.532 0.801 0.801 weight 1.000 ! spec=NOESY, no=133, id=130, vol=3.160000e+07
assign (segid "    " and resid   32 and name  HN1) (segid "    " and resid   32 and name  HN2) 2.538 0.805 0.805 weight 1.000 ! spec=NOESY, no=134, id=131, vol=3.110000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=NOESY, no=135, id=132, vol=3.110000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HA2) 2.540 0.806 0.806 weight 1.000 ! spec=NOESY, no=136, id=133, vol=3.100000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.540 0.806 0.806 weight 1.000 ! spec=NOESY, no=137, id=134, vol=3.100000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.541 0.807 0.807 weight 1.000 ! spec=NOESY, no=138, id=135, vol=3.090000e+07
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HD2) 2.548 0.812 0.812 weight 1.000 ! spec=NOESY, no=139, id=136, vol=3.040000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB2) 2.551 0.813 0.813 weight 1.000 ! spec=NOESY, no=141, id=138, vol=3.020000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HE3) 2.554 0.815 0.815 weight 1.000 ! spec=NOESY, no=142, id=139, vol=3.000000e+07
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HN) 2.554 0.815 0.815 weight 1.000 ! spec=NOESY, no=143, id=140, vol=3.000000e+07
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB1) 2.561 0.820 0.820 weight 1.000 ! spec=NOESY, no=145, id=142, vol=2.950000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name   HN) 2.561 0.820 0.820 weight 1.000 ! spec=NOESY, no=146, id=143, vol=2.950000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.562 0.821 0.821 weight 1.000 ! spec=NOESY, no=147, id=144, vol=2.940000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HN) 2.571 0.826 0.826 weight 1.000 ! spec=NOESY, no=150, id=147, vol=2.880000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   14 and name  HE1) 2.577 0.830 0.830 weight 1.000 ! spec=NOESY, no=151, id=148, vol=2.840000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HA1) 2.579 0.831 0.831 weight 1.000 ! spec=NOESY, no=152, id=149, vol=2.830000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD1) 2.579 0.831 0.831 weight 1.000 ! spec=NOESY, no=153, id=150, vol=2.830000e+07
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    1 and name   HA) 2.580 0.832 0.832 weight 1.000 ! spec=NOESY, no=154, id=151, vol=2.820000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB2) 2.583 0.834 0.834 weight 1.000 ! spec=NOESY, no=155, id=152, vol=2.800000e+07
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HD1) 2.585 0.835 0.835 weight 1.000 ! spec=NOESY, no=156, id=153, vol=2.790000e+07
    or (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   20 and name   HN) 2.588 0.837 0.837 weight 1.000 ! spec=NOESY, no=158, id=155, vol=2.770000e+07
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HD2) 2.588 0.837 0.837 weight 1.000 ! spec=NOESY, no=159, id=156, vol=2.770000e+07
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HB2) 2.591 0.839 0.839 weight 1.000 ! spec=NOESY, no=160, id=157, vol=2.750000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   14 and name  HE1) 2.593 0.840 0.840 weight 1.000 ! spec=NOESY, no=161, id=158, vol=2.740000e+07
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HD1) 2.593 0.840 0.840 weight 1.000 ! spec=NOESY, no=162, id=159, vol=2.740000e+07
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name   HN) 2.594 0.841 0.841 weight 1.000 ! spec=NOESY, no=163, id=160, vol=2.730000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name  HE1) 2.596 0.842 0.842 weight 1.000 ! spec=NOESY, no=164, id=161, vol=2.720000e+07
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HB2) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=165, id=162, vol=2.710000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HA) 2.599 0.844 0.844 weight 1.000 ! spec=NOESY, no=166, id=163, vol=2.700000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HB1) 2.609 0.851 0.851 weight 1.000 ! spec=NOESY, no=167, id=164, vol=2.640000e+07
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD12) 2.612 0.853 0.853 weight 1.000 ! spec=NOESY, no=168, id=165, vol=2.620000e+07
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   10 and name  HB1) 2.614 0.854 0.854 weight 1.000 ! spec=NOESY, no=169, id=166, vol=2.610000e+07
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HA) 2.617 0.856 0.856 weight 1.000 ! spec=NOESY, no=170, id=167, vol=2.590000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name HG21) 2.619 0.857 0.857 weight 1.000 ! spec=NOESY, no=171, id=168, vol=2.580000e+07
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name HG22)
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name HG23)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   20 and name HD22) 2.619 0.857 0.857 weight 1.000 ! spec=NOESY, no=172, id=169, vol=2.580000e+07
    or (segid "    " and resid   24 and name  HD2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   24 and name  HD2) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name  HB2) 2.629 0.864 0.864 weight 1.000 ! spec=NOESY, no=175, id=172, vol=2.520000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA) 2.629 0.864 0.864 weight 1.000 ! spec=NOESY, no=176, id=173, vol=2.520000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HD1) 2.631 0.865 0.865 weight 1.000 ! spec=NOESY, no=177, id=174, vol=2.510000e+07
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HD2)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 2.636 0.869 0.869 weight 1.000 ! spec=NOESY, no=179, id=176, vol=2.480000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG21) 2.638 0.870 0.870 weight 1.000 ! spec=NOESY, no=180, id=177, vol=2.470000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD12) 2.638 0.870 0.870 weight 1.000 ! spec=NOESY, no=181, id=178, vol=2.470000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name   HN) 2.640 0.871 0.871 weight 1.000 ! spec=NOESY, no=182, id=179, vol=2.460000e+07
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   14 and name   HN) 2.643 0.873 0.873 weight 1.000 ! spec=NOESY, no=183, id=180, vol=2.440000e+07
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN) 2.645 0.874 0.874 weight 1.000 ! spec=NOESY, no=184, id=181, vol=2.430000e+07
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name   HA) 2.649 0.877 0.877 weight 1.000 ! spec=NOESY, no=185, id=182, vol=2.410000e+07
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name  HE1) 2.649 0.877 0.877 weight 1.000 ! spec=NOESY, no=186, id=183, vol=2.410000e+07
    or (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name   HN) 2.658 0.883 0.883 weight 1.000 ! spec=NOESY, no=187, id=184, vol=2.360000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2) 2.662 0.886 0.886 weight 1.000 ! spec=NOESY, no=188, id=185, vol=2.340000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HN) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=189, id=186, vol=2.330000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=190, id=187, vol=2.330000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HN) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=191, id=188, vol=2.320000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=192, id=189, vol=2.320000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN) 2.671 0.892 0.892 weight 1.000 ! spec=NOESY, no=194, id=191, vol=2.290000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.671 0.892 0.892 weight 1.000 ! spec=NOESY, no=195, id=192, vol=2.290000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HA) 2.673 0.893 0.893 weight 1.000 ! spec=NOESY, no=196, id=193, vol=2.280000e+07
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   26 and name HG21) 2.677 0.896 0.896 weight 1.000 ! spec=NOESY, no=197, id=194, vol=2.260000e+07
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   26 and name HG22)
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   26 and name HG23)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=NOESY, no=198, id=195, vol=2.220000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=NOESY, no=199, id=196, vol=2.220000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   23 and name  HE1) 2.687 0.903 0.903 weight 1.000 ! spec=NOESY, no=200, id=197, vol=2.210000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.691 0.905 0.905 weight 1.000 ! spec=NOESY, no=201, id=198, vol=2.190000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN) 2.693 0.907 0.907 weight 1.000 ! spec=NOESY, no=202, id=199, vol=2.180000e+07
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HB2) 2.693 0.907 0.907 weight 1.000 ! spec=NOESY, no=203, id=200, vol=2.180000e+07
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HE2) 2.697 0.909 0.909 weight 1.000 ! spec=NOESY, no=204, id=201, vol=2.160000e+07
    or (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HE1)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HD1) 2.697 0.909 0.909 weight 1.000 ! spec=NOESY, no=205, id=202, vol=2.160000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HN) 2.699 0.911 0.911 weight 1.000 ! spec=NOESY, no=206, id=203, vol=2.150000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   21 and name   HA) 2.708 0.917 0.917 weight 1.000 ! spec=NOESY, no=207, id=204, vol=2.110000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name   HN) 2.710 0.918 0.918 weight 1.000 ! spec=NOESY, no=209, id=206, vol=2.100000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HD1) 2.721 0.925 0.925 weight 1.000 ! spec=NOESY, no=210, id=207, vol=2.050000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name   HZ) 2.721 0.925 0.925 weight 1.000 ! spec=NOESY, no=211, id=208, vol=2.050000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.725 0.929 0.929 weight 1.000 ! spec=NOESY, no=212, id=209, vol=2.030000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 2.725 0.929 0.929 weight 1.000 ! spec=NOESY, no=213, id=210, vol=2.030000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HB1) 2.732 0.933 0.933 weight 1.000 ! spec=NOESY, no=214, id=211, vol=2.000000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD12) 2.734 0.935 0.935 weight 1.000 ! spec=NOESY, no=215, id=212, vol=1.990000e+07
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HB1) 2.739 0.938 0.938 weight 1.000 ! spec=NOESY, no=216, id=213, vol=1.970000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=NOESY, no=217, id=214, vol=1.970000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.741 0.939 0.939 weight 1.000 ! spec=NOESY, no=218, id=215, vol=1.960000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.746 0.943 0.943 weight 1.000 ! spec=NOESY, no=219, id=216, vol=1.940000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name   HN) 2.748 0.944 0.944 weight 1.000 ! spec=NOESY, no=220, id=217, vol=1.930000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 2.751 0.946 0.946 weight 1.000 ! spec=NOESY, no=221, id=218, vol=1.920000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name  HD1) 2.751 0.946 0.946 weight 1.000 ! spec=NOESY, no=222, id=219, vol=1.920000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HE1) 2.751 0.946 0.946 weight 1.000 ! spec=NOESY, no=223, id=220, vol=1.920000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.753 0.948 0.948 weight 1.000 ! spec=NOESY, no=224, id=221, vol=1.910000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HB1) 2.753 0.948 0.948 weight 1.000 ! spec=NOESY, no=225, id=222, vol=1.910000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   14 and name   HZ) 2.753 0.948 0.948 weight 1.000 ! spec=NOESY, no=226, id=223, vol=1.910000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name   HN) 2.753 0.948 0.948 weight 1.000 ! spec=NOESY, no=227, id=224, vol=1.910000e+07
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HB2) 2.758 0.951 0.951 weight 1.000 ! spec=NOESY, no=228, id=225, vol=1.890000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HB2)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HD1) 2.758 0.951 0.951 weight 1.000 ! spec=NOESY, no=229, id=226, vol=1.890000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name   HN) 2.761 0.953 0.953 weight 1.000 ! spec=NOESY, no=230, id=227, vol=1.880000e+07
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name   HN) 2.770 0.959 0.959 weight 1.000 ! spec=NOESY, no=231, id=228, vol=1.840000e+07
    or (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name   HZ) 2.770 0.959 0.959 weight 1.000 ! spec=NOESY, no=232, id=229, vol=1.840000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid   12 and name  HD1) (segid "    " and resid   23 and name  HE1) 2.773 0.961 0.961 weight 1.000 ! spec=NOESY, no=233, id=230, vol=1.830000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD1) 2.775 0.963 0.963 weight 1.000 ! spec=NOESY, no=234, id=231, vol=1.820000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name   HN) 2.778 0.965 0.965 weight 1.000 ! spec=NOESY, no=235, id=232, vol=1.810000e+07
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name   HN) 2.786 0.970 0.970 weight 1.000 ! spec=NOESY, no=236, id=233, vol=1.780000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   13 and name   HN) 2.796 0.977 0.977 weight 1.000 ! spec=NOESY, no=237, id=234, vol=1.740000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HA) 2.796 0.977 0.977 weight 1.000 ! spec=NOESY, no=238, id=235, vol=1.740000e+07
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HE1) 2.802 0.981 0.981 weight 1.000 ! spec=NOESY, no=239, id=236, vol=1.720000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   19 and name   HN) 2.807 0.985 0.985 weight 1.000 ! spec=NOESY, no=241, id=238, vol=1.700000e+07
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name   HA) 2.810 0.987 0.987 weight 1.000 ! spec=NOESY, no=242, id=239, vol=1.690000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HN) 2.813 0.989 0.989 weight 1.000 ! spec=NOESY, no=244, id=241, vol=1.680000e+07
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD22) 2.818 0.993 0.993 weight 1.000 ! spec=NOESY, no=248, id=245, vol=1.660000e+07
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 2.827 0.999 0.999 weight 1.000 ! spec=NOESY, no=249, id=246, vol=1.630000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.827 0.999 0.999 weight 1.000 ! spec=NOESY, no=250, id=247, vol=1.630000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   16 and name   HN) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=251, id=248, vol=1.620000e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=252, id=249, vol=1.620000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.836 1.005 1.005 weight 1.000 ! spec=NOESY, no=253, id=250, vol=1.600000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 2.836 1.005 1.005 weight 1.000 ! spec=NOESY, no=254, id=251, vol=1.600000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HE3) 2.839 1.007 1.007 weight 1.000 ! spec=NOESY, no=255, id=252, vol=1.590000e+07
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   14 and name   HN) 2.839 1.007 1.007 weight 1.000 ! spec=NOESY, no=256, id=253, vol=1.590000e+07
    or (segid "    " and resid   13 and name  HG1) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HN) 2.842 1.009 1.009 weight 1.000 ! spec=NOESY, no=258, id=254, vol=1.580000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.842 1.009 1.009 weight 1.000 ! spec=NOESY, no=259, id=255, vol=1.580000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HN) 2.842 1.009 1.009 weight 1.000 ! spec=NOESY, no=260, id=256, vol=1.580000e+07
assign (segid "    " and resid    7 and name  HZ2) (segid "    " and resid    7 and name  HE1) 2.842 1.009 1.009 weight 1.000 ! spec=NOESY, no=261, id=257, vol=1.580000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HD1) 2.845 1.012 1.012 weight 1.000 ! spec=NOESY, no=262, id=258, vol=1.570000e+07
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HE3) 2.845 1.012 1.012 weight 1.000 ! spec=NOESY, no=263, id=259, vol=1.570000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HN) 2.848 1.014 1.014 weight 1.000 ! spec=NOESY, no=264, id=260, vol=1.560000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HB2) 2.848 1.014 1.014 weight 1.000 ! spec=NOESY, no=265, id=261, vol=1.560000e+07
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   21 and name   HA) 2.851 1.016 1.016 weight 1.000 ! spec=NOESY, no=268, id=264, vol=1.550000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HE1) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=269, id=265, vol=1.540000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   20 and name HD22) 2.857 1.020 1.020 weight 1.000 ! spec=NOESY, no=273, id=269, vol=1.530000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HG2) 2.870 1.029 1.029 weight 1.000 ! spec=NOESY, no=274, id=270, vol=1.490000e+07
    or (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HG1)
assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid    6 and name HG21) 2.873 1.032 1.032 weight 1.000 ! spec=NOESY, no=276, id=272, vol=1.480000e+07
    or (segid "    " and resid    4 and name  HE2) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    4 and name  HE2) (segid "    " and resid    6 and name HG23)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid    6 and name HG21)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid    6 and name HG23)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid    6 and name HG21)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid    6 and name HG23)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 2.873 1.032 1.032 weight 1.000 ! spec=NOESY, no=277, id=273, vol=1.480000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   23 and name  HD2) 2.876 1.034 1.034 weight 1.000 ! spec=NOESY, no=278, id=274, vol=1.470000e+07
assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid    4 and name  HG2) 2.883 1.039 1.039 weight 1.000 ! spec=NOESY, no=279, id=275, vol=1.450000e+07
    or (segid "    " and resid    4 and name  HE2) (segid "    " and resid    4 and name  HG1)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid    4 and name  HG2)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid    4 and name  HG1)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid    4 and name  HG2)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HG2) 2.886 1.041 1.041 weight 1.000 ! spec=NOESY, no=280, id=276, vol=1.440000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    2 and name  HD1) 2.886 1.041 1.041 weight 1.000 ! spec=NOESY, no=281, id=277, vol=1.440000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   27 and name  HE1) 2.900 1.051 1.051 weight 1.000 ! spec=NOESY, no=282, id=278, vol=1.400000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   12 and name   HN) 2.903 1.053 1.053 weight 1.000 ! spec=NOESY, no=284, id=280, vol=1.390000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.903 1.053 1.053 weight 1.000 ! spec=NOESY, no=285, id=281, vol=1.390000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    4 and name  HG2) 2.907 1.056 1.056 weight 1.000 ! spec=NOESY, no=286, id=282, vol=1.380000e+07
    or (segid "    " and resid    1 and name  HB2) (segid "    " and resid    4 and name  HG1)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    4 and name  HG2)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   14 and name   HZ) 2.910 1.059 1.059 weight 1.000 ! spec=NOESY, no=287, id=283, vol=1.370000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   16 and name  HD1) 2.921 1.066 1.066 weight 1.000 ! spec=NOESY, no=290, id=286, vol=1.340000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   14 and name  HE1) 2.924 1.069 1.069 weight 1.000 ! spec=NOESY, no=292, id=288, vol=1.330000e+07
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name   HN) 2.928 1.072 1.072 weight 1.000 ! spec=NOESY, no=293, id=289, vol=1.320000e+07
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name   HN) 2.932 1.074 1.074 weight 1.000 ! spec=NOESY, no=295, id=291, vol=1.310000e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HD2) 2.932 1.074 1.074 weight 1.000 ! spec=NOESY, no=296, id=292, vol=1.310000e+07
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD2) 2.932 1.074 1.074 weight 1.000 ! spec=NOESY, no=297, id=293, vol=1.310000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HN) 2.936 1.077 1.077 weight 1.000 ! spec=NOESY, no=299, id=295, vol=1.300000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HE1) 2.936 1.077 1.077 weight 1.000 ! spec=NOESY, no=300, id=296, vol=1.300000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name  HD1) 2.943 1.083 1.083 weight 1.000 ! spec=NOESY, no=301, id=297, vol=1.280000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name  HD1)
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    5 and name   HN) 2.947 1.086 1.086 weight 1.000 ! spec=NOESY, no=302, id=298, vol=1.270000e+07
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid    5 and name   HN) 2.951 1.088 1.088 weight 1.000 ! spec=NOESY, no=303, id=299, vol=1.260000e+07
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name  HE1) 2.955 1.091 1.091 weight 1.000 ! spec=NOESY, no=305, id=301, vol=1.250000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    2 and name  HD2) 2.955 1.091 1.091 weight 1.000 ! spec=NOESY, no=306, id=302, vol=1.250000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HN) 2.959 1.094 1.094 weight 1.000 ! spec=NOESY, no=307, id=303, vol=1.240000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HG2) 2.959 1.094 1.094 weight 1.000 ! spec=NOESY, no=308, id=304, vol=1.240000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD12) 2.959 1.094 1.094 weight 1.000 ! spec=NOESY, no=309, id=305, vol=1.240000e+07
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.963 1.097 1.097 weight 1.000 ! spec=NOESY, no=310, id=306, vol=1.230000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   27 and name   HN) 2.963 1.097 1.097 weight 1.000 ! spec=NOESY, no=311, id=307, vol=1.230000e+07
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   27 and name   HN)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD22) 2.967 1.100 1.100 weight 1.000 ! spec=NOESY, no=312, id=308, vol=1.220000e+07
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   24 and name   HN) 2.967 1.100 1.100 weight 1.000 ! spec=NOESY, no=313, id=309, vol=1.220000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    5 and name  HB2) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=316, id=312, vol=1.190000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    5 and name  HB2)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name  HE2) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=317, id=313, vol=1.190000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=318, id=314, vol=1.190000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   14 and name   HN) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=320, id=316, vol=1.190000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD22) 2.983 1.113 1.113 weight 1.000 ! spec=NOESY, no=321, id=317, vol=1.180000e+07
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=322, id=318, vol=1.160000e+07
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   22 and name   HA) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=323, id=319, vol=1.160000e+07
    or (segid "    " and resid   25 and name  HD1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HE2) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=324, id=320, vol=1.160000e+07
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HE1)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HE2)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HE1)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HD1) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=325, id=321, vol=1.160000e+07
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HD1) 3.001 1.125 1.125 weight 1.000 ! spec=NOESY, no=329, id=325, vol=1.140000e+07
    or (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid    3 and name  HE1) 3.018 1.139 1.139 weight 1.000 ! spec=NOESY, no=332, id=328, vol=1.100000e+07
    or (segid "    " and resid   20 and name HD22) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   14 and name  HE1) 3.018 1.139 1.139 weight 1.000 ! spec=NOESY, no=333, id=329, vol=1.100000e+07
    or (segid "    " and resid   12 and name  HD2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid    3 and name  HD1) 3.023 1.142 1.142 weight 1.000 ! spec=NOESY, no=334, id=330, vol=1.090000e+07
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 3.023 1.142 1.142 weight 1.000 ! spec=NOESY, no=335, id=331, vol=1.090000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB2) 3.023 1.142 1.142 weight 1.000 ! spec=NOESY, no=336, id=332, vol=1.090000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HE1) 3.023 1.142 1.142 weight 1.000 ! spec=NOESY, no=338, id=334, vol=1.090000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name  HD1) 3.028 1.146 1.146 weight 1.000 ! spec=NOESY, no=339, id=335, vol=1.080000e+07
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HD1)
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE2) 3.032 1.149 1.149 weight 1.000 ! spec=NOESY, no=340, id=336, vol=1.070000e+07
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HD2) 3.042 1.157 1.157 weight 1.000 ! spec=NOESY, no=342, id=338, vol=1.050000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name   HN) 3.042 1.157 1.157 weight 1.000 ! spec=NOESY, no=343, id=339, vol=1.050000e+07
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid    5 and name   HN) 3.042 1.157 1.157 weight 1.000 ! spec=NOESY, no=344, id=340, vol=1.050000e+07
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD22) 3.052 1.164 1.164 weight 1.000 ! spec=NOESY, no=345, id=341, vol=1.030000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   15 and name HG21) (segid "    " and resid   16 and name   HN) 3.052 1.164 1.164 weight 1.000 ! spec=NOESY, no=346, id=342, vol=1.030000e+07
    or (segid "    " and resid   15 and name HG22) (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    3 and name  HB1) (segid "    " and resid   14 and name   HN) 3.057 1.168 1.168 weight 1.000 ! spec=NOESY, no=347, id=343, vol=1.020000e+07
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name   HN) 3.067 1.176 1.176 weight 1.000 ! spec=NOESY, no=349, id=345, vol=1.000000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD1) 3.067 1.176 1.176 weight 1.000 ! spec=NOESY, no=350, id=346, vol=1.000000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name  HE2) 3.067 1.176 1.176 weight 1.000 ! spec=NOESY, no=352, id=347, vol=9.990000e+06
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name  HE1)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name   HN) 3.069 1.177 1.177 weight 1.000 ! spec=NOESY, no=353, id=348, vol=9.960000e+06
assign (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name   HA) 3.077 1.184 1.184 weight 1.000 ! spec=NOESY, no=355, id=350, vol=9.800000e+06
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    5 and name  HB1) 3.079 1.185 1.185 weight 1.000 ! spec=NOESY, no=356, id=351, vol=9.760000e+06
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   14 and name   HN) 3.082 1.188 1.188 weight 1.000 ! spec=NOESY, no=357, id=352, vol=9.700000e+06
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   23 and name  HD2) 3.083 1.188 1.188 weight 1.000 ! spec=NOESY, no=358, id=353, vol=9.680000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name   HN) 3.086 1.191 1.191 weight 1.000 ! spec=NOESY, no=359, id=354, vol=9.630000e+06
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    5 and name   HN) 3.087 1.191 1.191 weight 1.000 ! spec=NOESY, no=360, id=355, vol=9.610000e+06
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name   HN) 3.088 1.192 1.192 weight 1.000 ! spec=NOESY, no=361, id=356, vol=9.590000e+06
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name   HN) 3.092 1.195 1.195 weight 1.000 ! spec=NOESY, no=363, id=358, vol=9.520000e+06
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 3.093 1.196 1.196 weight 1.000 ! spec=NOESY, no=364, id=359, vol=9.510000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name   HN) 3.093 1.196 1.196 weight 1.000 ! spec=NOESY, no=365, id=360, vol=9.510000e+06
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid    7 and name  HZ3) 3.093 1.196 1.196 weight 1.000 ! spec=NOESY, no=366, id=361, vol=9.500000e+06
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid    7 and name  HZ3)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid    7 and name  HZ3)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   20 and name   HN) 3.095 1.197 1.197 weight 1.000 ! spec=NOESY, no=367, id=362, vol=9.470000e+06
assign (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE2) 3.095 1.197 1.197 weight 1.000 ! spec=NOESY, no=368, id=363, vol=9.470000e+06
    or (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name   HN) 3.095 1.198 1.198 weight 1.000 ! spec=NOESY, no=369, id=364, vol=9.460000e+06
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 3.101 1.202 1.202 weight 1.000 ! spec=NOESY, no=370, id=365, vol=9.350000e+06
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid   14 and name   HN) 3.104 1.204 1.204 weight 1.000 ! spec=NOESY, no=373, id=368, vol=9.300000e+06
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name HG21) 3.108 1.207 1.207 weight 1.000 ! spec=NOESY, no=375, id=370, vol=9.230000e+06
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name HG23)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HN) 3.113 1.211 1.211 weight 1.000 ! spec=NOESY, no=376, id=371, vol=9.140000e+06
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   11 and name   HN) 3.115 1.213 1.213 weight 1.000 ! spec=NOESY, no=377, id=372, vol=9.110000e+06
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid    5 and name   HN) 3.120 1.217 1.217 weight 1.000 ! spec=NOESY, no=379, id=373, vol=9.020000e+06
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name   HN) 3.123 1.219 1.219 weight 1.000 ! spec=NOESY, no=382, id=376, vol=8.970000e+06
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD22) 3.126 1.222 1.222 weight 1.000 ! spec=NOESY, no=383, id=377, vol=8.910000e+06
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name   HA) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=384, id=378, vol=8.890000e+06
    or (segid "    " and resid   25 and name  HD1) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   16 and name   HN) 3.129 1.224 1.224 weight 1.000 ! spec=NOESY, no=385, id=379, vol=8.870000e+06
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid   28 and name   HN) 3.149 1.239 1.239 weight 1.000 ! spec=NOESY, no=388, id=382, vol=8.540000e+06
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid   28 and name   HN)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN) 3.149 1.240 1.240 weight 1.000 ! spec=NOESY, no=389, id=383, vol=8.530000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 3.150 1.241 1.241 weight 1.000 ! spec=NOESY, no=391, id=385, vol=8.510000e+06
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HD1) 3.152 1.242 1.242 weight 1.000 ! spec=NOESY, no=392, id=386, vol=8.490000e+06
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   18 and name   HA) 3.153 1.243 1.243 weight 1.000 ! spec=NOESY, no=393, id=387, vol=8.470000e+06
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   19 and name   HN) 3.155 1.245 1.245 weight 1.000 ! spec=NOESY, no=394, id=388, vol=8.430000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 3.160 1.248 1.248 weight 1.000 ! spec=NOESY, no=395, id=389, vol=8.360000e+06
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name  HD2) 3.163 1.250 1.250 weight 1.000 ! spec=NOESY, no=396, id=390, vol=8.310000e+06
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 3.167 1.254 1.254 weight 1.000 ! spec=NOESY, no=397, id=391, vol=8.250000e+06
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name  HE1) 3.167 1.254 1.254 weight 1.000 ! spec=NOESY, no=398, id=392, vol=8.240000e+06
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid   27 and name  HE1) 3.167 1.254 1.254 weight 1.000 ! spec=NOESY, no=399, id=393, vol=8.240000e+06
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   27 and name  HD2) 3.175 1.260 1.260 weight 1.000 ! spec=NOESY, no=401, id=395, vol=8.120000e+06
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name   HN) 3.192 1.274 1.274 weight 1.000 ! spec=NOESY, no=403, id=397, vol=7.860000e+06
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name   HN) 3.193 1.274 1.274 weight 1.000 ! spec=NOESY, no=404, id=398, vol=7.850000e+06
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid    3 and name  HB1) 3.193 1.274 1.274 weight 1.000 ! spec=NOESY, no=405, id=399, vol=7.850000e+06
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   23 and name  HE1) 3.196 1.277 1.277 weight 1.000 ! spec=NOESY, no=406, id=400, vol=7.810000e+06
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid   12 and name   HN) 3.205 1.284 1.284 weight 1.000 ! spec=NOESY, no=407, id=401, vol=7.680000e+06
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name  HD2) 3.215 1.292 1.292 weight 1.000 ! spec=NOESY, no=408, id=402, vol=7.540000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HD2)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   10 and name   HN) 3.216 1.293 1.293 weight 1.000 ! spec=NOESY, no=409, id=403, vol=7.520000e+06
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   22 and name   HA) 3.220 1.296 1.296 weight 1.000 ! spec=NOESY, no=412, id=406, vol=7.460000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name  HD2) 3.222 1.298 1.298 weight 1.000 ! spec=NOESY, no=413, id=407, vol=7.430000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   27 and name   HN) 3.224 1.299 1.299 weight 1.000 ! spec=NOESY, no=415, id=408, vol=7.410000e+06
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   14 and name  HB2) 3.226 1.301 1.301 weight 1.000 ! spec=NOESY, no=416, id=409, vol=7.380000e+06
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   16 and name   HN) 3.233 1.306 1.306 weight 1.000 ! spec=NOESY, no=418, id=411, vol=7.290000e+06
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name  HB2) 3.235 1.308 1.308 weight 1.000 ! spec=NOESY, no=420, id=413, vol=7.260000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name   HN) 3.237 1.310 1.310 weight 1.000 ! spec=NOESY, no=422, id=415, vol=7.230000e+06
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HD2) 3.247 1.318 1.318 weight 1.000 ! spec=NOESY, no=426, id=419, vol=7.100000e+06
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name   HA) 3.248 1.318 1.318 weight 1.000 ! spec=NOESY, no=427, id=420, vol=7.090000e+06
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name   HN) 3.253 1.323 1.323 weight 1.000 ! spec=NOESY, no=428, id=421, vol=7.020000e+06
    or (segid "    " and resid   25 and name  HD1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name   HN) 3.255 1.325 1.325 weight 1.000 ! spec=NOESY, no=429, id=422, vol=6.990000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    4 and name  HE2) 3.259 1.328 1.328 weight 1.000 ! spec=NOESY, no=430, id=423, vol=6.940000e+06
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN) 3.261 1.329 1.329 weight 1.000 ! spec=NOESY, no=431, id=424, vol=6.920000e+06
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HB2) 3.262 1.330 1.330 weight 1.000 ! spec=NOESY, no=434, id=427, vol=6.900000e+06
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   12 and name   HN) 3.264 1.332 1.332 weight 1.000 ! spec=NOESY, no=436, id=429, vol=6.880000e+06
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name   HN) 3.266 1.334 1.334 weight 1.000 ! spec=NOESY, no=437, id=430, vol=6.850000e+06
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HE1) 3.270 1.337 1.337 weight 1.000 ! spec=NOESY, no=438, id=431, vol=6.800000e+06
    or (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name  HD1) 3.271 1.338 1.338 weight 1.000 ! spec=NOESY, no=439, id=432, vol=6.790000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD12) 3.273 1.339 1.339 weight 1.000 ! spec=NOESY, no=440, id=433, vol=6.770000e+06
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 3.276 1.342 1.342 weight 1.000 ! spec=NOESY, no=441, id=434, vol=6.730000e+06
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid    7 and name   HN) 3.278 1.343 1.343 weight 1.000 ! spec=NOESY, no=442, id=435, vol=6.710000e+06
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   10 and name   HN) 3.283 1.347 1.347 weight 1.000 ! spec=NOESY, no=443, id=436, vol=6.650000e+06
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name   HZ) 3.290 1.353 1.353 weight 1.000 ! spec=NOESY, no=444, id=437, vol=6.560000e+06
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid    7 and name  HH2) 3.298 1.360 1.360 weight 1.000 ! spec=NOESY, no=447, id=438, vol=6.460000e+06
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid    7 and name  HH2)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid    7 and name  HH2)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   23 and name  HD2) 3.302 1.363 1.363 weight 1.000 ! spec=NOESY, no=449, id=440, vol=6.420000e+06
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD22) 3.303 1.364 1.364 weight 1.000 ! spec=NOESY, no=450, id=441, vol=6.410000e+06
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   27 and name  HE1) 3.304 1.364 1.364 weight 1.000 ! spec=NOESY, no=451, id=442, vol=6.400000e+06
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    7 and name  HD1) 3.306 1.366 1.366 weight 1.000 ! spec=NOESY, no=453, id=444, vol=6.370000e+06
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    7 and name  HD1)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HN) 3.306 1.366 1.366 weight 1.000 ! spec=NOESY, no=455, id=446, vol=6.370000e+06
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name  HD1) 3.306 1.366 1.366 weight 1.000 ! spec=NOESY, no=456, id=447, vol=6.370000e+06
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   16 and name   HN) 3.312 1.371 1.371 weight 1.000 ! spec=NOESY, no=457, id=448, vol=6.300000e+06
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HN) 3.324 1.381 1.381 weight 1.000 ! spec=NOESY, no=458, id=449, vol=6.170000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   24 and name   HN) 3.324 1.381 1.381 weight 1.000 ! spec=NOESY, no=459, id=450, vol=6.170000e+06
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG21) 3.331 1.387 1.387 weight 1.000 ! spec=NOESY, no=462, id=453, vol=6.090000e+06
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 3.337 1.392 1.392 weight 1.000 ! spec=NOESY, no=463, id=454, vol=6.030000e+06
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   23 and name  HD2) 3.337 1.392 1.392 weight 1.000 ! spec=NOESY, no=464, id=455, vol=6.020000e+06
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   10 and name   HN) 3.340 1.395 1.395 weight 1.000 ! spec=NOESY, no=465, id=456, vol=5.990000e+06
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN) 3.353 1.405 1.405 weight 1.000 ! spec=NOESY, no=466, id=457, vol=5.860000e+06
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   21 and name   HN) 3.358 1.410 1.410 weight 1.000 ! spec=NOESY, no=468, id=459, vol=5.800000e+06
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name   HN) 3.372 1.421 1.421 weight 1.000 ! spec=NOESY, no=470, id=461, vol=5.660000e+06
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    3 and name  HD1) 3.374 1.423 1.423 weight 1.000 ! spec=NOESY, no=471, id=462, vol=5.640000e+06
    or (segid "    " and resid    2 and name  HD1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   27 and name  HE1) 3.376 1.425 1.425 weight 1.000 ! spec=NOESY, no=472, id=463, vol=5.620000e+06
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid    7 and name   HN) 3.378 1.426 1.426 weight 1.000 ! spec=NOESY, no=473, id=464, vol=5.600000e+06
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name HD22) 3.381 1.429 1.429 weight 1.000 ! spec=NOESY, no=474, id=465, vol=5.570000e+06
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HE1) 3.383 1.431 1.431 weight 1.000 ! spec=NOESY, no=475, id=466, vol=5.550000e+06
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name HD12) 3.389 1.436 1.436 weight 1.000 ! spec=NOESY, no=478, id=468, vol=5.490000e+06
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HE1) 3.395 1.441 1.441 weight 1.000 ! spec=NOESY, no=479, id=469, vol=5.430000e+06
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   12 and name   HN) 3.398 1.444 1.444 weight 1.000 ! spec=NOESY, no=480, id=470, vol=5.400000e+06
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HB1) 3.400 1.445 1.445 weight 1.000 ! spec=NOESY, no=481, id=471, vol=5.390000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name   HZ) 3.414 1.457 1.457 weight 1.000 ! spec=NOESY, no=483, id=473, vol=5.250000e+06
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   20 and name HD12) 3.420 1.462 1.462 weight 1.000 ! spec=NOESY, no=484, id=474, vol=5.200000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   19 and name   HN) 3.423 1.465 1.465 weight 1.000 ! spec=NOESY, no=485, id=475, vol=5.170000e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   21 and name   HN) 3.429 1.470 1.470 weight 1.000 ! spec=NOESY, no=486, id=476, vol=5.120000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   20 and name   HN) 3.431 1.471 1.471 weight 1.000 ! spec=NOESY, no=487, id=477, vol=5.100000e+06
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   27 and name   HN) 3.437 1.476 1.476 weight 1.000 ! spec=NOESY, no=488, id=478, vol=5.050000e+06
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    7 and name   HN) 3.438 1.477 1.477 weight 1.000 ! spec=NOESY, no=489, id=479, vol=5.040000e+06
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid    7 and name  HE3) 3.442 1.481 1.481 weight 1.000 ! spec=NOESY, no=490, id=480, vol=5.000000e+06
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HE1) 3.447 1.485 1.485 weight 1.000 ! spec=NOESY, no=491, id=481, vol=4.960000e+06
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   27 and name  HE1) 3.453 1.490 1.490 weight 1.000 ! spec=NOESY, no=493, id=483, vol=4.910000e+06
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD22) 3.453 1.490 1.490 weight 1.000 ! spec=NOESY, no=494, id=484, vol=4.910000e+06
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   27 and name  HD2) 3.455 1.492 1.492 weight 1.000 ! spec=NOESY, no=495, id=485, vol=4.890000e+06
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   27 and name  HD2)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN) 3.461 1.497 1.497 weight 1.000 ! spec=NOESY, no=496, id=486, vol=4.840000e+06
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HD1) 3.461 1.497 1.497 weight 1.000 ! spec=NOESY, no=497, id=487, vol=4.840000e+06
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    7 and name   HN) 3.474 1.509 1.509 weight 1.000 ! spec=NOESY, no=498, id=488, vol=4.730000e+06
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   21 and name   HN) 3.478 1.512 1.512 weight 1.000 ! spec=NOESY, no=500, id=489, vol=4.700000e+06
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid    5 and name   HN) 3.489 1.522 1.522 weight 1.000 ! spec=NOESY, no=501, id=490, vol=4.610000e+06
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid   25 and name   HA) 3.489 1.522 1.522 weight 1.000 ! spec=NOESY, no=502, id=491, vol=4.610000e+06
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid   25 and name   HA)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid    7 and name  HH2) 3.492 1.524 1.524 weight 1.000 ! spec=NOESY, no=503, id=492, vol=4.590000e+06
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HN) 3.493 1.525 1.525 weight 1.000 ! spec=NOESY, no=504, id=493, vol=4.580000e+06
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   23 and name  HE1) 3.503 1.534 1.534 weight 1.000 ! spec=NOESY, no=505, id=494, vol=4.500000e+06
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   26 and name   HN) 3.503 1.534 1.534 weight 1.000 ! spec=NOESY, no=506, id=495, vol=4.500000e+06
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name  HE1) 3.509 1.539 1.539 weight 1.000 ! spec=NOESY, no=507, id=496, vol=4.460000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HE1) 3.511 1.541 1.541 weight 1.000 ! spec=NOESY, no=508, id=497, vol=4.440000e+06
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name   HZ) 3.526 1.554 1.554 weight 1.000 ! spec=NOESY, no=510, id=499, vol=4.330000e+06
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name   HZ)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid    3 and name  HB2) 3.527 1.555 1.555 weight 1.000 ! spec=NOESY, no=511, id=500, vol=4.320000e+06
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   16 and name   HN) 3.533 1.560 1.560 weight 1.000 ! spec=NOESY, no=512, id=501, vol=4.280000e+06
assign (segid "    " and resid   13 and name  HD2) (segid "    " and resid   13 and name   HN) 3.536 1.562 1.562 weight 1.000 ! spec=NOESY, no=513, id=502, vol=4.260000e+06
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN) 3.541 1.567 1.567 weight 1.000 ! spec=NOESY, no=514, id=503, vol=4.220000e+06
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    7 and name   HN) 3.544 1.570 1.570 weight 1.000 ! spec=NOESY, no=515, id=504, vol=4.200000e+06
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   24 and name   HN) 3.557 1.581 1.581 weight 1.000 ! spec=NOESY, no=516, id=505, vol=4.110000e+06
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   22 and name   HN) 3.576 1.598 1.598 weight 1.000 ! spec=NOESY, no=518, id=507, vol=3.980000e+06
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HE1) 3.580 1.602 1.602 weight 1.000 ! spec=NOESY, no=519, id=508, vol=3.950000e+06
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HE2)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    7 and name   HN) 3.583 1.605 1.605 weight 1.000 ! spec=NOESY, no=520, id=509, vol=3.930000e+06
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid    7 and name  HD1) 3.600 1.620 1.620 weight 1.000 ! spec=NOESY, no=521, id=510, vol=3.820000e+06
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HD2) 3.631 1.648 1.648 weight 1.000 ! spec=NOESY, no=523, id=512, vol=3.630000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   28 and name   HN) 3.658 1.673 1.673 weight 1.000 ! spec=NOESY, no=524, id=513, vol=3.470000e+06
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid   10 and name   HN) 3.691 1.703 1.703 weight 1.000 ! spec=NOESY, no=525, id=514, vol=3.290000e+06
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid    5 and name   HN) 3.708 1.719 1.719 weight 1.000 ! spec=NOESY, no=526, id=515, vol=3.200000e+06
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name   HN) 3.710 1.721 1.721 weight 1.000 ! spec=NOESY, no=527, id=516, vol=3.190000e+06
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   23 and name  HE1) 3.712 1.722 1.722 weight 1.000 ! spec=NOESY, no=528, id=517, vol=3.180000e+06
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HD1) 3.712 1.722 1.722 weight 1.000 ! spec=NOESY, no=529, id=518, vol=3.180000e+06
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   26 and name   HA) 3.726 1.735 1.735 weight 1.000 ! spec=NOESY, no=530, id=519, vol=3.110000e+06
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   26 and name   HA)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   11 and name   HN) 3.776 1.782 1.782 weight 1.000 ! spec=NOESY, no=531, id=520, vol=2.870000e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   21 and name   HN) 3.841 1.844 1.844 weight 1.000 ! spec=NOESY, no=533, id=521, vol=2.590000e+06
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    7 and name  HE1) 3.975 1.975 1.975 weight 1.000 ! spec=NOESY, no=535, id=523, vol=2.110000e+06
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    7 and name  HE1)
# Restraints file 4: wsh2018_hbonds_v2.tbl
!hairpin
assign  (resid 3 and name HN )  (resid 14 and name O )  1.9 0.1 0.1
assign  (resid 3 and name N )  (resid 14 and name O )   2.9 0.2 0.2
assign  (resid 14 and name HN )  (resid 3 and name O )  1.9 0.1 0.1
assign  (resid 14 and name N )  (resid 3 and name O )   2.9 0.2 0.2
assign  (resid 5 and name HN )  (resid 12 and name O )  1.9 0.1 0.1
assign  (resid 5 and name N )  (resid 12 and name O )   2.9 0.2 0.2
assign  (resid 11 and name HN )  (resid 7 and name O )  1.9 0.1 0.1
assign  (resid 11 and name N )  (resid 7 and name O )   2.9 0.2 0.2
assign  (resid 10 and name HN )  (resid 7 and name O )  1.9 0.1 0.1
assign  (resid 10 and name N )  (resid 7 and name O )   2.9 0.2 0.2

!helix
assign  (resid 20 and name HN )  (resid 16 and name O )  1.9 0.1 0.1
assign  (resid 20 and name N )  (resid 16 and name O )   2.9 0.2 0.2
assign  (resid 21 and name HN )  (resid 17 and name O )  1.9 0.1 0.1
assign  (resid 21 and name N )  (resid 17 and name O )   2.9 0.2 0.2
assign  (resid 22 and name HN )  (resid 18 and name O )  1.9 0.1 0.1
assign  (resid 22 and name N )  (resid 18 and name O )   2.9 0.2 0.2
assign  (resid 23 and name HN )  (resid 19 and name O )  1.9 0.1 0.1
assign  (resid 23 and name N )  (resid 19 and name O )   2.9 0.2 0.2
assign  (resid 24 and name HN )  (resid 20 and name O )  1.9 0.1 0.1
assign  (resid 24 and name N )  (resid 20 and name O )   2.9 0.2 0.2
assign  (resid 25 and name HN )  (resid 21 and name O )  1.9 0.1 0.1
assign  (resid 25 and name N )  (resid 21 and name O )   2.9 0.2 0.2
assign  (resid 25 and name HN )  (resid 22 and name O )  1.9 0.1 0.1
assign  (resid 25 and name N )  (resid 22 and name O )   2.9 0.2 0.2
assign  (resid 26 and name HN )  (resid 23 and name O )  1.9 0.1 0.1
assign  (resid 26 and name N )  (resid 23 and name O )   2.9 0.2 0.2
assign  (resid 27 and name HN )  (resid 24 and name O )  1.9 0.1 0.1
assign  (resid 27 and name N )  (resid 24 and name O )   2.9 0.2 0.2
assign  (resid 28 and name HN )  (resid 24 and name O )  1.9 0.1 0.1
assign  (resid 28 and name N )  (resid 24 and name O )   2.9 0.2 0.2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1 -13.483   4.255   0.358
    2    H2   ARG   1           HT2      ARG   1 -12.798   5.682  -0.229
    3    H3   ARG   1           HT3      ARG   1 -13.179   5.539   1.413
    4    HA   ARG   1           HA       ARG   1 -11.165   3.920  -0.025
    5    HB2  ARG   1           HB2      ARG   1  -9.572   5.200   1.513
    6    HB3  ARG   1           HB1      ARG   1 -10.228   6.076   0.137
    7    HG2  ARG   1           HG2      ARG   1 -11.705   7.309   1.493
    8    HG3  ARG   1           HG1      ARG   1 -11.460   6.233   2.871
    9    HD2  ARG   1           HD2      ARG   1  -9.288   7.943   1.671
   10    HD3  ARG   1           HD1      ARG   1 -10.291   8.446   3.032
   11    HE   ARG   1           HE       ARG   1  -9.031   5.908   3.462
   12   HH11  ARG   1          HH11      ARG   1  -8.566   9.371   3.634
   13   HH12  ARG   1          HH12      ARG   1  -7.325   9.271   4.843
   14   HH21  ARG   1          HH21      ARG   1  -7.414   5.774   5.061
   15   HH22  ARG   1          HH22      ARG   1  -6.670   7.225   5.656
   16    HA   PRO   2           HA       PRO   2 -12.373   1.516   3.704
   17    HB2  PRO   2           HB2      PRO   2 -11.363  -0.692   2.033
   18    HB3  PRO   2           HB1      PRO   2 -12.919  -0.534   2.857
   19    HG2  PRO   2           HG2      PRO   2 -12.718  -0.361   0.186
   20    HG3  PRO   2           HG1      PRO   2 -13.881   0.617   1.100
   21    HD2  PRO   2           HD2      PRO   2 -11.222   1.409  -0.038
   22    HD3  PRO   2           HD1      PRO   2 -12.756   2.306  -0.030
   23    H    PHE   3           HN       PHE   3  -9.608   0.964   1.548
   24    HA   PHE   3           HA       PHE   3  -7.845   0.960   3.909
   25    HB2  PHE   3           HB2      PHE   3  -7.559  -0.718   1.405
   26    HB3  PHE   3           HB1      PHE   3  -6.428  -0.687   2.744
   27    HD1  PHE   3           HD1      PHE   3  -9.500  -2.040   1.466
   28    HD2  PHE   3           HD2      PHE   3  -7.139  -1.564   4.969
   29    HE1  PHE   3           HE1      PHE   3 -10.789  -3.819   2.568
   30    HE2  PHE   3           HE2      PHE   3  -8.416  -3.347   6.079
   31    HZ   PHE   3           HZ       PHE   3 -10.248  -4.475   4.876
   32    H    NLE   4           HN       NLE   4  -5.786   1.933   3.588
   33    HA   NLE   4           HA       NLE   4  -5.033   3.031   1.049
   34    HB2  NLE   4           HB1      NLE   4  -5.736   4.981   3.251
   35    HB3  NLE   4           HB2      NLE   4  -6.802   4.622   1.903
   36    HG2  NLE   4           HG1      NLE   4  -5.071   5.437   0.348
   37    HG3  NLE   4           HG2      NLE   4  -4.068   5.870   1.736
   38    HD2  NLE   4           HD1      NLE   4  -5.798   7.410   2.522
   39    HD3  NLE   4           HD2      NLE   4  -6.824   6.965   1.151
   40    HE1  NLE   4           HE1      NLE   4  -5.663   9.066   0.725
   41    HE2  NLE   4           HE2      NLE   4  -5.121   7.813  -0.391
   42    HE3  NLE   4           HE3      NLE   4  -4.111   8.270   0.980
   43    H    CYS   5           HN       CYS   5  -2.861   3.340   0.988
   44    HA   CYS   5           HA       CYS   5  -1.375   2.353   3.224
   45    HB2  CYS   5           HB2      CYS   5   0.515   2.363   1.820
   46    HB3  CYS   5           HB1      CYS   5  -0.835   2.008   0.754
   47    H    THR   6           HN       THR   6  -2.247   5.440   2.066
   48    HA   THR   6           HA       THR   6  -1.941   7.558   2.765
   49    HB   THR   6           HB       THR   6  -1.790   7.931   5.205
   50    HG1  THR   6           HG1      THR   6  -0.724   5.442   5.164
   51   HG21  THR   6          HG21      THR   6  -3.665   5.691   4.442
   52   HG22  THR   6          HG22      THR   6  -3.944   7.405   4.137
   53   HG23  THR   6          HG23      THR   6  -3.867   6.805   5.795
   54    H    TRP   7           HN       TRP   7   0.539   5.964   1.968
   55    HA   TRP   7           HA       TRP   7   2.650   7.213   3.471
   56    HB2  TRP   7           HB2      TRP   7   2.740   4.933   2.296
   57    HB3  TRP   7           HB1      TRP   7   2.953   5.847   0.807
   58    HD1  TRP   7           HD1      TRP   7   5.271   7.206   0.523
   59    HE1  TRP   7           HE1      TRP   7   7.576   6.885   1.637
   60    HE3  TRP   7           HE3      TRP   7   3.860   4.250   4.439
   61    HZ2  TRP   7           HZ2      TRP   7   8.639   5.549   3.884
   62    HZ3  TRP   7           HZ3      TRP   7   5.580   3.492   6.024
   63    HH2  TRP   7           HH2      TRP   7   7.917   4.125   5.751
   64    H    SER   8           HN       SER   8   3.865   8.942   2.897
   65    HA   SER   8           HA       SER   8   2.693  10.985   1.437
   66    HB2  SER   8           HB2      SER   8   5.625  10.662   2.092
   67    HB3  SER   8           HB1      SER   8   4.787  12.176   1.745
   68    HG   SER   8           HG       SER   8   3.395  11.474   3.621
   69    H    TYR   9           HN       TYR   9   2.620  11.505  -0.620
   70    HA   TYR   9           HA       TYR   9   3.010  11.637  -2.833
   71    HB2  TYR   9           HB2      TYR   9   5.732  10.633  -2.035
   72    HB3  TYR   9           HB1      TYR   9   5.312  11.073  -3.689
   73    HD1  TYR   9           HD1      TYR   9   6.088  12.323  -0.352
   74    HD2  TYR   9           HD2      TYR   9   4.779  13.400  -4.252
   75    HE1  TYR   9           HE1      TYR   9   6.547  14.685   0.151
   76    HE2  TYR   9           HE2      TYR   9   5.241  15.758  -3.763
   77    HH   TYR   9           HH       TYR   9   7.029  16.771  -1.061
   78    H    CYS  10           HN       CYS  10   2.063   9.159  -1.438
   79    HA   CYS  10           HA       CYS  10   1.937   7.622  -3.923
   80    HB2  CYS  10           HB2      CYS  10   3.539   6.475  -2.407
   81    HB3  CYS  10           HB1      CYS  10   2.281   6.389  -1.184
   82    H    GLY  11           HN       GLY  11   0.654   7.419  -0.598
   83    HA2  GLY  11           HA2      GLY  11  -1.496   7.186   0.188
   84    HA3  GLY  11           HA1      GLY  11  -1.797   8.547  -0.878
   85    H    LYS  12           HN       LYS  12  -1.183   5.070  -1.435
   86    HA   LYS  12           HA       LYS  12  -3.249   5.120  -3.473
   87    HB2  LYS  12           HB2      LYS  12  -1.007   3.991  -3.802
   88    HB3  LYS  12           HB1      LYS  12  -1.542   2.767  -2.657
   89    HG2  LYS  12           HG2      LYS  12  -3.272   2.042  -4.097
   90    HG3  LYS  12           HG1      LYS  12  -3.068   3.437  -5.157
   91    HD2  LYS  12           HD2      LYS  12  -0.810   2.619  -5.742
   92    HD3  LYS  12           HD1      LYS  12  -1.090   1.197  -4.736
   93    HE2  LYS  12           HE2      LYS  12  -3.001   0.584  -6.144
   94    HE3  LYS  12           HE1      LYS  12  -2.711   2.001  -7.152
   95    HZ1  LYS  12           HZ1      LYS  12  -0.896  -0.323  -6.796
   96    HZ2  LYS  12           HZ2      LYS  12  -0.503   1.068  -7.668
   97    HZ3  LYS  12           HZ3      LYS  12  -1.767   0.076  -8.188
   98    H    ARG  13           HN       ARG  13  -5.201   4.194  -3.317
   99    HA   ARG  13           HA       ARG  13  -5.950   3.198  -0.663
  100    HB2  ARG  13           HB2      ARG  13  -8.176   3.890  -1.131
  101    HB3  ARG  13           HB1      ARG  13  -7.133   5.198  -1.669
  102    HG2  ARG  13           HG2      ARG  13  -7.316   4.299  -3.984
  103    HG3  ARG  13           HG1      ARG  13  -8.503   3.141  -3.384
  104    HD2  ARG  13           HD2      ARG  13  -9.710   4.967  -4.308
  105    HD3  ARG  13           HD1      ARG  13  -9.840   5.095  -2.554
  106    HE   ARG  13           HE       ARG  13  -7.648   6.621  -3.346
  107   HH11  ARG  13          HH11      ARG  13 -11.126   6.623  -3.732
  108   HH12  ARG  13          HH12      ARG  13 -11.225   8.336  -3.969
  109   HH21  ARG  13          HH21      ARG  13  -7.776   8.877  -3.663
  110   HH22  ARG  13          HH22      ARG  13  -9.321   9.616  -3.930
  111    H    PHE  14           HN       PHE  14  -7.361   1.382  -0.476
  112    HA   PHE  14           HA       PHE  14  -7.546  -0.384  -2.800
  113    HB2  PHE  14           HB2      PHE  14  -6.375  -1.243  -0.137
  114    HB3  PHE  14           HB1      PHE  14  -6.677  -2.293  -1.517
  115    HD1  PHE  14           HD1      PHE  14  -4.442   0.087  -0.005
  116    HD2  PHE  14           HD2      PHE  14  -5.368  -1.998  -3.592
  117    HE1  PHE  14           HE1      PHE  14  -2.201   0.598  -0.880
  118    HE2  PHE  14           HE2      PHE  14  -3.132  -1.493  -4.470
  119    HZ   PHE  14           HZ       PHE  14  -1.545  -0.193  -3.109
  120    H    THR  15           HN       THR  15  -9.019  -2.184  -2.422
  121    HA   THR  15           HA       THR  15 -11.073  -1.485  -0.436
  122    HB   THR  15           HB       THR  15 -11.842  -1.236  -2.755
  123    HG1  THR  15           HG1      THR  15 -12.969  -3.415  -1.303
  124   HG21  THR  15          HG21      THR  15 -11.244  -4.186  -2.998
  125   HG22  THR  15          HG22      THR  15 -10.398  -2.881  -3.829
  126   HG23  THR  15          HG23      THR  15 -12.090  -3.210  -4.197
  127    H    ARG  16           HN       ARG  16  -8.611  -3.525  -0.879
  128    HA   ARG  16           HA       ARG  16  -9.850  -5.573   0.791
  129    HB2  ARG  16           HB2      ARG  16  -8.466  -7.295  -0.561
  130    HB3  ARG  16           HB1      ARG  16  -9.988  -6.725  -1.233
  131    HG2  ARG  16           HG2      ARG  16  -8.738  -5.129  -2.623
  132    HG3  ARG  16           HG1      ARG  16  -7.233  -5.786  -1.985
  133    HD2  ARG  16           HD2      ARG  16  -9.310  -7.375  -3.489
  134    HD3  ARG  16           HD1      ARG  16  -7.853  -6.697  -4.206
  135    HE   ARG  16           HE       ARG  16  -7.047  -8.262  -2.043
  136   HH11  ARG  16          HH11      ARG  16  -8.695  -8.711  -5.102
  137   HH12  ARG  16          HH12      ARG  16  -8.066 -10.308  -5.350
  138   HH21  ARG  16          HH21      ARG  16  -6.195 -10.352  -2.381
  139   HH22  ARG  16          HH22      ARG  16  -6.655 -11.243  -3.805
  140    H    SER  17           HN       SER  17  -8.568  -6.393   2.333
  141    HA   SER  17           HA       SER  17  -6.544  -4.637   3.217
  142    HB2  SER  17           HB2      SER  17  -6.371  -6.433   5.070
  143    HB3  SER  17           HB1      SER  17  -7.894  -5.560   4.890
  144    HG   SER  17           HG       SER  17  -8.213  -7.825   5.068
  145    H    ASP  18           HN       ASP  18  -6.457  -7.881   1.851
  146    HA   ASP  18           HA       ASP  18  -3.754  -8.436   2.451
  147    HB2  ASP  18           HB2      ASP  18  -3.943 -10.283   0.974
  148    HB3  ASP  18           HB1      ASP  18  -5.538 -10.091   1.689
  149    H    GLU  19           HN       GLU  19  -5.315  -6.698  -0.131
  150    HA   GLU  19           HA       GLU  19  -3.028  -6.515  -1.815
  151    HB2  GLU  19           HB2      GLU  19  -5.435  -6.200  -2.525
  152    HB3  GLU  19           HB1      GLU  19  -5.376  -4.625  -1.749
  153    HG2  GLU  19           HG2      GLU  19  -5.027  -4.366  -4.097
  154    HG3  GLU  19           HG1      GLU  19  -3.533  -3.988  -3.242
  155    H    LEU  20           HN       LEU  20  -4.532  -4.363   0.582
  156    HA   LEU  20           HA       LEU  20  -2.635  -2.299   0.417
  157    HB2  LEU  20           HB2      LEU  20  -4.659  -1.879   1.603
  158    HB3  LEU  20           HB1      LEU  20  -4.375  -3.223   2.693
  159    HG   LEU  20           HG       LEU  20  -2.382  -2.006   3.582
  160   HD11  LEU  20          HD11      LEU  20  -2.152   0.362   3.116
  161   HD12  LEU  20          HD12      LEU  20  -3.480   0.279   1.960
  162   HD13  LEU  20          HD13      LEU  20  -1.976  -0.584   1.639
  163   HD21  LEU  20          HD21      LEU  20  -4.932  -0.434   3.823
  164   HD22  LEU  20          HD22      LEU  20  -3.623  -0.540   4.994
  165   HD23  LEU  20          HD23      LEU  20  -4.626  -1.952   4.661
  166    H    GLN  21           HN       GLN  21  -2.777  -5.155   2.519
  167    HA   GLN  21           HA       GLN  21  -0.460  -4.733   3.992
  168    HB2  GLN  21           HB2      GLN  21  -2.096  -6.519   4.463
  169    HB3  GLN  21           HB1      GLN  21  -1.597  -7.360   3.003
  170    HG2  GLN  21           HG2      GLN  21   0.682  -7.560   3.972
  171    HG3  GLN  21           HG1      GLN  21   0.055  -6.868   5.466
  172   HE21  GLN  21          HE21      GLN  21  -1.377  -8.073   6.723
  173   HE22  GLN  21          HE22      GLN  21  -1.548  -9.781   6.521
  174    H    ARG  22           HN       ARG  22  -0.867  -6.525   0.965
  175    HA   ARG  22           HA       ARG  22   1.802  -7.148   0.471
  176    HB2  ARG  22           HB2      ARG  22   0.016  -8.155  -0.795
  177    HB3  ARG  22           HB1      ARG  22  -0.489  -6.593  -1.417
  178    HG2  ARG  22           HG2      ARG  22   1.718  -6.434  -2.572
  179    HG3  ARG  22           HG1      ARG  22   2.027  -8.100  -2.074
  180    HD2  ARG  22           HD2      ARG  22   0.104  -8.873  -3.295
  181    HD3  ARG  22           HD1      ARG  22  -0.367  -7.220  -3.682
  182    HE   ARG  22           HE       ARG  22   2.242  -8.140  -4.608
  183   HH11  ARG  22          HH11      ARG  22  -1.092  -7.362  -5.352
  184   HH12  ARG  22          HH12      ARG  22  -0.816  -7.264  -7.063
  185   HH21  ARG  22          HH21      ARG  22   2.618  -7.987  -6.839
  186   HH22  ARG  22          HH22      ARG  22   1.303  -7.621  -7.912
  187    H    HIS  23           HN       HIS  23  -0.084  -4.295  -0.414
  188    HA   HIS  23           HA       HIS  23   1.922  -3.028  -1.936
  189    HB2  HIS  23           HB2      HIS  23  -0.409  -2.393  -2.151
  190    HB3  HIS  23           HB1      HIS  23  -0.459  -1.885  -0.467
  191    HD1  HIS  23           HD1      HIS  23   0.601  -0.714  -3.876
  192    HD2  HIS  23           HD2      HIS  23   0.780   0.535   0.095
  193    HE1  HIS  23           HE1      HIS  23   1.315   1.733  -3.916
  194    H    LYS  24           HN       LYS  24   1.038  -2.762   1.494
  195    HA   LYS  24           HA       LYS  24   2.751  -0.676   2.196
  196    HB2  LYS  24           HB2      LYS  24   1.829  -3.048   3.810
  197    HB3  LYS  24           HB1      LYS  24   2.738  -1.711   4.495
  198    HG2  LYS  24           HG2      LYS  24   0.907  -0.186   3.713
  199    HG3  LYS  24           HG1      LYS  24  -0.019  -1.630   3.299
  200    HD2  LYS  24           HD2      LYS  24   1.047  -0.960   6.043
  201    HD3  LYS  24           HD1      LYS  24  -0.621  -0.738   5.512
  202    HE2  LYS  24           HE2      LYS  24  -0.860  -3.126   5.169
  203    HE3  LYS  24           HE1      LYS  24   0.832  -3.382   5.593
  204    HZ1  LYS  24           HZ1      LYS  24  -0.695  -3.870   7.429
  205    HZ2  LYS  24           HZ2      LYS  24  -1.216  -2.264   7.427
  206    HZ3  LYS  24           HZ3      LYS  24   0.386  -2.629   7.813
  207    H    ARG  25           HN       ARG  25   3.407  -4.000   1.510
  208    HA   ARG  25           HA       ARG  25   5.901  -4.248   2.773
  209    HB2  ARG  25           HB2      ARG  25   4.789  -5.640   0.341
  210    HB3  ARG  25           HB1      ARG  25   6.261  -6.128   1.169
  211    HG2  ARG  25           HG2      ARG  25   5.002  -6.590   3.186
  212    HG3  ARG  25           HG1      ARG  25   3.523  -6.024   2.413
  213    HD2  ARG  25           HD2      ARG  25   3.739  -7.815   0.740
  214    HD3  ARG  25           HD1      ARG  25   5.183  -8.394   1.568
  215    HE   ARG  25           HE       ARG  25   3.106  -8.277   3.431
  216   HH11  ARG  25          HH11      ARG  25   3.969 -10.082   0.561
  217   HH12  ARG  25          HH12      ARG  25   3.101 -11.505   1.037
  218   HH21  ARG  25          HH21      ARG  25   1.974 -11.552   3.044
  219   HH22  ARG  25          HH22      ARG  25   1.979 -10.157   4.074
  220    H    THR  26           HN       THR  26   5.011  -2.443   0.000
  221    HA   THR  26           HA       THR  26   7.697  -2.445  -1.100
  222    HB   THR  26           HB       THR  26   5.543  -2.267  -2.505
  223    HG1  THR  26           HG1      THR  26   7.995  -1.170  -2.813
  224   HG21  THR  26          HG21      THR  26   4.451  -0.464  -1.277
  225   HG22  THR  26          HG22      THR  26   4.764   0.023  -2.942
  226   HG23  THR  26          HG23      THR  26   5.795   0.617  -1.641
  227    H    HIS  27           HN       HIS  27   5.866  -0.654   1.191
  228    HA   HIS  27           HA       HIS  27   7.599   1.675   1.001
  229    HB2  HIS  27           HB2      HIS  27   5.197   1.073   2.724
  230    HB3  HIS  27           HB1      HIS  27   6.173   2.525   2.915
  231    HD1  HIS  27           HD1      HIS  27   6.500   3.680   0.217
  232    HD2  HIS  27           HD2      HIS  27   3.008   1.690   1.327
  233    HE1  HIS  27           HE1      HIS  27   4.682   4.464  -1.379
  234    H    THR  28           HN       THR  28   7.014  -1.078   3.086
  235    HA   THR  28           HA       THR  28   9.348  -0.273   4.683
  236    HB   THR  28           HB       THR  28   8.561  -2.128   6.243
  237    HG1  THR  28           HG1      THR  28   7.126  -3.219   4.925
  238   HG21  THR  28          HG21      THR  28   6.839  -0.714   7.287
  239   HG22  THR  28          HG22      THR  28   6.750   0.253   5.814
  240   HG23  THR  28          HG23      THR  28   8.233   0.234   6.767
  241    H    GLY  29           HN       GLY  29  10.294  -0.990   2.443
  242    HA2  GLY  29           HA2      GLY  29  11.624  -3.478   2.860
  243    HA3  GLY  29           HA1      GLY  29  10.415  -3.609   1.588
  244    H    GLU  30           HN       GLU  30  13.197  -1.680   2.624
  245    HA   GLU  30           HA       GLU  30  13.540  -0.466   0.053
  246    HB2  GLU  30           HB2      GLU  30  14.251   0.655   2.126
  247    HB3  GLU  30           HB1      GLU  30  15.414  -0.627   2.423
  248    HG2  GLU  30           HG2      GLU  30  16.615   0.000   0.388
  249    HG3  GLU  30           HG1      GLU  30  15.458   1.303   0.118
  250    H    LYS  31           HN       LYS  31  15.368  -2.896   1.900
  251    HA   LYS  31           HA       LYS  31  16.344  -3.965  -0.664
  252    HB2  LYS  31           HB2      LYS  31  17.930  -3.819   1.905
  253    HB3  LYS  31           HB1      LYS  31  18.487  -4.492   0.383
  254    HG2  LYS  31           HG2      LYS  31  18.366  -2.285  -0.647
  255    HG3  LYS  31           HG1      LYS  31  17.779  -1.606   0.872
  256    HD2  LYS  31           HD2      LYS  31  19.877  -2.344   1.961
  257    HD3  LYS  31           HD1      LYS  31  20.460  -2.898   0.392
  258    HE2  LYS  31           HE2      LYS  31  20.325  -0.630  -0.477
  259    HE3  LYS  31           HE1      LYS  31  19.684  -0.061   1.063
  260    HZ1  LYS  31           HZ1      LYS  31  21.743  -0.601   2.130
  261    HZ2  LYS  31           HZ2      LYS  31  22.085   0.351   0.773
  262    HZ3  LYS  31           HZ3      LYS  31  22.351  -1.316   0.722
  263    HN1  NH2  32           HN1      NH2  32  16.626  -4.916   2.731
  264    HN2  NH2  32           HN2      NH2  32  15.895  -6.473   2.546
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1 -13.039   3.656  -2.601
    2    H2   ARG   1           HT2      ARG   1 -12.521   4.514  -1.241
    3    H3   ARG   1           HT3      ARG   1 -13.874   3.509  -1.138
    4    HA   ARG   1           HA       ARG   1 -12.562   1.570  -1.457
    5    HB2  ARG   1           HB2      ARG   1 -10.317   3.557  -1.787
    6    HB3  ARG   1           HB1      ARG   1 -10.039   1.851  -1.466
    7    HG2  ARG   1           HG2      ARG   1 -11.514   2.947  -3.853
    8    HG3  ARG   1           HG1      ARG   1  -9.832   2.416  -3.844
    9    HD2  ARG   1           HD2      ARG   1 -10.556   0.160  -3.211
   10    HD3  ARG   1           HD1      ARG   1 -12.235   0.695  -3.233
   11    HE   ARG   1           HE       ARG   1 -10.700   1.026  -5.687
   12   HH11  ARG   1          HH11      ARG   1 -13.088  -0.813  -3.896
   13   HH12  ARG   1          HH12      ARG   1 -13.718  -1.604  -5.304
   14   HH21  ARG   1          HH21      ARG   1 -11.532  -0.013  -7.541
   15   HH22  ARG   1          HH22      ARG   1 -12.833  -1.152  -7.378
   16    HA   PRO   2           HA       PRO   2 -12.648   2.029   2.933
   17    HB2  PRO   2           HB2      PRO   2 -12.228  -0.583   3.574
   18    HB3  PRO   2           HB1      PRO   2 -13.780   0.048   3.009
   19    HG2  PRO   2           HG2      PRO   2 -11.652  -1.405   1.495
   20    HG3  PRO   2           HG1      PRO   2 -13.413  -1.589   1.406
   21    HD2  PRO   2           HD2      PRO   2 -11.997  -0.194  -0.428
   22    HD3  PRO   2           HD1      PRO   2 -13.656   0.233   0.019
   23    H    PHE   3           HN       PHE   3  -9.904   0.744   1.220
   24    HA   PHE   3           HA       PHE   3  -8.262   1.158   3.631
   25    HB2  PHE   3           HB2      PHE   3  -7.750  -0.765   1.346
   26    HB3  PHE   3           HB1      PHE   3  -6.686  -0.511   2.722
   27    HD1  PHE   3           HD1      PHE   3  -9.677  -2.139   1.512
   28    HD2  PHE   3           HD2      PHE   3  -7.410  -1.197   4.983
   29    HE1  PHE   3           HE1      PHE   3 -10.879  -3.879   2.765
   30    HE2  PHE   3           HE2      PHE   3  -8.608  -2.933   6.244
   31    HZ   PHE   3           HZ       PHE   3 -10.412  -4.220   5.152
   32    H    NLE   4           HN       NLE   4  -6.196   2.105   3.332
   33    HA   NLE   4           HA       NLE   4  -5.520   3.183   0.741
   34    HB2  NLE   4           HB1      NLE   4  -6.172   5.008   3.059
   35    HB3  NLE   4           HB2      NLE   4  -7.126   4.831   1.594
   36    HG2  NLE   4           HG1      NLE   4  -5.261   5.715   0.276
   37    HG3  NLE   4           HG2      NLE   4  -4.317   5.907   1.756
   38    HD2  NLE   4           HD1      NLE   4  -6.034   7.454   2.622
   39    HD3  NLE   4           HD2      NLE   4  -6.917   7.300   1.097
   40    HE1  NLE   4           HE1      NLE   4  -4.107   8.349   1.423
   41    HE2  NLE   4           HE2      NLE   4  -5.546   9.316   1.110
   42    HE3  NLE   4           HE3      NLE   4  -4.971   8.178  -0.107
   43    H    CYS   5           HN       CYS   5  -3.405   3.460   0.509
   44    HA   CYS   5           HA       CYS   5  -1.579   2.736   2.580
   45    HB2  CYS   5           HB2      CYS   5  -1.020   2.212   0.298
   46    HB3  CYS   5           HB1      CYS   5  -1.188   3.894  -0.184
   47    H    THR   6           HN       THR   6  -0.573   3.997   4.007
   48    HA   THR   6           HA       THR   6  -1.185   6.848   3.961
   49    HB   THR   6           HB       THR   6  -0.213   6.705   6.342
   50    HG1  THR   6           HG1      THR   6   0.614   4.816   6.809
   51   HG21  THR   6          HG21      THR   6  -2.713   5.168   5.623
   52   HG22  THR   6          HG22      THR   6  -2.601   6.904   5.912
   53   HG23  THR   6          HG23      THR   6  -2.316   5.771   7.233
   54    H    TRP   7           HN       TRP   7   1.083   5.332   2.448
   55    HA   TRP   7           HA       TRP   7   3.457   6.496   3.573
   56    HB2  TRP   7           HB2      TRP   7   3.374   4.370   2.172
   57    HB3  TRP   7           HB1      TRP   7   3.177   5.421   0.773
   58    HD1  TRP   7           HD1      TRP   7   5.295   6.903   0.040
   59    HE1  TRP   7           HE1      TRP   7   7.806   6.679   0.561
   60    HE3  TRP   7           HE3      TRP   7   5.003   3.671   3.978
   61    HZ2  TRP   7           HZ2      TRP   7   9.446   5.296   2.406
   62    HZ3  TRP   7           HZ3      TRP   7   7.087   2.945   5.065
   63    HH2  TRP   7           HH2      TRP   7   9.257   3.735   4.295
   64    H    SER   8           HN       SER   8   4.473   8.303   3.013
   65    HA   SER   8           HA       SER   8   3.070  10.509   2.161
   66    HB2  SER   8           HB2      SER   8   6.064  10.176   1.948
   67    HB3  SER   8           HB1      SER   8   5.163  11.666   2.236
   68    HG   SER   8           HG       SER   8   5.288  11.226   4.276
   69    H    TYR   9           HN       TYR   9   2.513  11.318   0.260
   70    HA   TYR   9           HA       TYR   9   2.483  11.889  -1.928
   71    HB2  TYR   9           HB2      TYR   9   5.217  10.646  -1.892
   72    HB3  TYR   9           HB1      TYR   9   4.494  11.257  -3.374
   73    HD1  TYR   9           HD1      TYR   9   5.649  12.230   0.009
   74    HD2  TYR   9           HD2      TYR   9   4.448  13.571  -3.845
   75    HE1  TYR   9           HE1      TYR   9   6.432  14.494   0.558
   76    HE2  TYR   9           HE2      TYR   9   5.226  15.836  -3.307
   77    HH   TYR   9           HH       TYR   9   7.152  16.516  -0.561
   78    H    CYS  10           HN       CYS  10   2.609   8.695  -0.870
   79    HA   CYS  10           HA       CYS  10   2.029   7.559  -3.469
   80    HB2  CYS  10           HB2      CYS  10   3.352   6.299  -1.796
   81    HB3  CYS  10           HB1      CYS  10   1.951   6.276  -0.737
   82    H    GLY  11           HN       GLY  11   0.310   7.341  -0.348
   83    HA2  GLY  11           HA2      GLY  11  -1.936   7.235   0.128
   84    HA3  GLY  11           HA1      GLY  11  -2.050   8.578  -0.996
   85    H    LYS  12           HN       LYS  12  -1.260   5.167  -1.588
   86    HA   LYS  12           HA       LYS  12  -3.135   5.142  -3.781
   87    HB2  LYS  12           HB2      LYS  12  -0.830   4.097  -3.837
   88    HB3  LYS  12           HB1      LYS  12  -1.452   2.852  -2.764
   89    HG2  LYS  12           HG2      LYS  12  -2.935   2.045  -4.403
   90    HG3  LYS  12           HG1      LYS  12  -2.689   3.460  -5.429
   91    HD2  LYS  12           HD2      LYS  12  -0.353   2.795  -5.771
   92    HD3  LYS  12           HD1      LYS  12  -0.612   1.373  -4.763
   93    HE2  LYS  12           HE2      LYS  12  -2.261   0.528  -6.338
   94    HE3  LYS  12           HE1      LYS  12  -2.080   1.975  -7.329
   95    HZ1  LYS  12           HZ1      LYS  12   0.040  -0.033  -6.786
   96    HZ2  LYS  12           HZ2      LYS  12   0.230   1.363  -7.721
   97    HZ3  LYS  12           HZ3      LYS  12  -0.817   0.139  -8.234
   98    H    ARG  13           HN       ARG  13  -5.166   4.436  -3.669
   99    HA   ARG  13           HA       ARG  13  -6.134   3.425  -1.125
  100    HB2  ARG  13           HB2      ARG  13  -7.575   4.285  -3.634
  101    HB3  ARG  13           HB1      ARG  13  -8.395   3.641  -2.224
  102    HG2  ARG  13           HG2      ARG  13  -8.609   5.937  -1.989
  103    HG3  ARG  13           HG1      ARG  13  -7.255   5.537  -0.931
  104    HD2  ARG  13           HD2      ARG  13  -5.681   6.251  -2.636
  105    HD3  ARG  13           HD1      ARG  13  -7.007   6.579  -3.751
  106    HE   ARG  13           HE       ARG  13  -7.387   8.060  -1.384
  107   HH11  ARG  13          HH11      ARG  13  -5.331   7.943  -4.212
  108   HH12  ARG  13          HH12      ARG  13  -4.965   9.638  -4.178
  109   HH21  ARG  13          HH21      ARG  13  -6.907  10.300  -1.331
  110   HH22  ARG  13          HH22      ARG  13  -5.865  10.982  -2.540
  111    H    PHE  14           HN       PHE  14  -7.327   1.517  -0.838
  112    HA   PHE  14           HA       PHE  14  -7.265  -0.439  -3.025
  113    HB2  PHE  14           HB2      PHE  14  -6.180  -0.930  -0.242
  114    HB3  PHE  14           HB1      PHE  14  -6.416  -2.173  -1.469
  115    HD1  PHE  14           HD1      PHE  14  -4.241   0.331  -0.186
  116    HD2  PHE  14           HD2      PHE  14  -5.159  -1.951  -3.647
  117    HE1  PHE  14           HE1      PHE  14  -2.014   0.828  -1.103
  118    HE2  PHE  14           HE2      PHE  14  -2.936  -1.463  -4.568
  119    HZ   PHE  14           HZ       PHE  14  -1.365  -0.073  -3.292
  120    H    THR  15           HN       THR  15  -8.444  -2.501  -2.293
  121    HA   THR  15           HA       THR  15 -10.867  -1.627  -0.866
  122    HB   THR  15           HB       THR  15 -11.165  -1.849  -3.330
  123    HG1  THR  15           HG1      THR  15 -12.626  -3.715  -1.739
  124   HG21  THR  15          HG21      THR  15 -10.715  -4.785  -2.809
  125   HG22  THR  15          HG22      THR  15  -9.632  -3.725  -3.710
  126   HG23  THR  15          HG23      THR  15 -11.248  -4.071  -4.328
  127    H    ARG  16           HN       ARG  16  -8.312  -3.823  -0.934
  128    HA   ARG  16           HA       ARG  16  -9.700  -5.453   1.090
  129    HB2  ARG  16           HB2      ARG  16  -7.758  -6.428  -1.010
  130    HB3  ARG  16           HB1      ARG  16  -8.278  -7.386   0.369
  131    HG2  ARG  16           HG2      ARG  16 -10.580  -7.289  -0.420
  132    HG3  ARG  16           HG1      ARG  16 -10.071  -6.306  -1.792
  133    HD2  ARG  16           HD2      ARG  16  -8.672  -8.133  -2.596
  134    HD3  ARG  16           HD1      ARG  16  -9.136  -9.112  -1.206
  135    HE   ARG  16           HE       ARG  16 -11.492  -8.404  -2.434
  136   HH11  ARG  16          HH11      ARG  16  -8.592 -10.121  -3.353
  137   HH12  ARG  16          HH12      ARG  16  -9.403 -11.158  -4.480
  138   HH21  ARG  16          HH21      ARG  16 -12.579  -9.772  -3.909
  139   HH22  ARG  16          HH22      ARG  16 -11.680 -10.963  -4.796
  140    H    SER  17           HN       SER  17  -8.421  -6.217   2.810
  141    HA   SER  17           HA       SER  17  -6.478  -4.325   3.661
  142    HB2  SER  17           HB2      SER  17  -6.284  -5.887   5.644
  143    HB3  SER  17           HB1      SER  17  -7.907  -5.282   5.318
  144    HG   SER  17           HG       SER  17  -7.532  -7.664   5.711
  145    H    ASP  18           HN       ASP  18  -6.298  -7.753   2.745
  146    HA   ASP  18           HA       ASP  18  -3.516  -8.044   3.069
  147    HB2  ASP  18           HB2      ASP  18  -3.728 -10.028   1.652
  148    HB3  ASP  18           HB1      ASP  18  -5.038  -9.965   2.823
  149    H    GLU  19           HN       GLU  19  -5.478  -6.815   0.500
  150    HA   GLU  19           HA       GLU  19  -3.578  -6.641  -1.550
  151    HB2  GLU  19           HB2      GLU  19  -5.968  -6.384  -1.919
  152    HB3  GLU  19           HB1      GLU  19  -5.996  -4.946  -0.917
  153    HG2  GLU  19           HG2      GLU  19  -4.596  -3.793  -2.553
  154    HG3  GLU  19           HG1      GLU  19  -4.613  -5.238  -3.565
  155    H    LEU  20           HN       LEU  20  -4.573  -4.275   0.911
  156    HA   LEU  20           HA       LEU  20  -2.659  -2.311   0.235
  157    HB2  LEU  20           HB2      LEU  20  -4.549  -1.633   1.485
  158    HB3  LEU  20           HB1      LEU  20  -4.263  -2.844   2.718
  159    HG   LEU  20           HG       LEU  20  -2.234  -1.621   3.428
  160   HD11  LEU  20          HD11      LEU  20  -3.151   0.524   1.526
  161   HD12  LEU  20          HD12      LEU  20  -1.789  -0.556   1.231
  162   HD13  LEU  20          HD13      LEU  20  -1.746   0.568   2.587
  163   HD21  LEU  20          HD21      LEU  20  -4.379  -1.221   4.526
  164   HD22  LEU  20          HD22      LEU  20  -4.739   0.050   3.359
  165   HD23  LEU  20          HD23      LEU  20  -3.393   0.240   4.484
  166    H    GLN  21           HN       GLN  21  -2.634  -4.904   2.669
  167    HA   GLN  21           HA       GLN  21  -0.216  -4.226   3.912
  168    HB2  GLN  21           HB2      GLN  21  -1.449  -6.958   3.508
  169    HB3  GLN  21           HB1      GLN  21  -0.110  -6.622   4.594
  170    HG2  GLN  21           HG2      GLN  21  -2.829  -5.357   4.831
  171    HG3  GLN  21           HG1      GLN  21  -2.331  -6.808   5.696
  172   HE21  GLN  21          HE21      GLN  21  -2.602  -5.866   7.683
  173   HE22  GLN  21          HE22      GLN  21  -1.536  -4.652   8.300
  174    H    ARG  22           HN       ARG  22  -0.868  -6.379   1.190
  175    HA   ARG  22           HA       ARG  22   1.731  -7.208   0.623
  176    HB2  ARG  22           HB2      ARG  22  -0.350  -8.123  -0.387
  177    HB3  ARG  22           HB1      ARG  22  -0.511  -6.650  -1.329
  178    HG2  ARG  22           HG2      ARG  22   1.742  -7.194  -2.326
  179    HG3  ARG  22           HG1      ARG  22   1.591  -8.778  -1.559
  180    HD2  ARG  22           HD2      ARG  22  -0.204  -7.552  -3.639
  181    HD3  ARG  22           HD1      ARG  22   0.790  -8.997  -3.788
  182    HE   ARG  22           HE       ARG  22  -0.725 -10.058  -2.160
  183   HH11  ARG  22          HH11      ARG  22  -1.844  -7.175  -3.815
  184   HH12  ARG  22          HH12      ARG  22  -3.520  -7.601  -3.685
  185   HH21  ARG  22          HH21      ARG  22  -2.943 -10.606  -1.980
  186   HH22  ARG  22          HH22      ARG  22  -4.144  -9.539  -2.632
  187    H    HIS  23           HN       HIS  23  -0.106  -4.430  -0.563
  188    HA   HIS  23           HA       HIS  23   1.832  -3.367  -2.269
  189    HB2  HIS  23           HB2      HIS  23  -0.372  -2.514  -2.462
  190    HB3  HIS  23           HB1      HIS  23  -0.450  -2.114  -0.748
  191    HD1  HIS  23           HD1      HIS  23   0.769  -0.757  -4.043
  192    HD2  HIS  23           HD2      HIS  23   0.818   0.244   0.006
  193    HE1  HIS  23           HE1      HIS  23   1.650   1.631  -3.890
  194    H    LYS  24           HN       LYS  24   1.218  -2.685   1.177
  195    HA   LYS  24           HA       LYS  24   3.050  -0.603   1.466
  196    HB2  LYS  24           HB2      LYS  24   2.185  -2.645   3.509
  197    HB3  LYS  24           HB1      LYS  24   3.067  -1.171   3.884
  198    HG2  LYS  24           HG2      LYS  24   1.158   0.105   2.853
  199    HG3  LYS  24           HG1      LYS  24   0.278  -1.422   2.791
  200    HD2  LYS  24           HD2      LYS  24  -0.368  -0.220   4.775
  201    HD3  LYS  24           HD1      LYS  24   0.568  -1.644   5.239
  202    HE2  LYS  24           HE2      LYS  24   2.547  -0.270   5.552
  203    HE3  LYS  24           HE1      LYS  24   1.671   1.159   5.009
  204    HZ1  LYS  24           HZ1      LYS  24   0.218   0.953   6.913
  205    HZ2  LYS  24           HZ2      LYS  24   1.827   1.050   7.416
  206    HZ3  LYS  24           HZ3      LYS  24   1.028  -0.438   7.426
  207    H    ARG  25           HN       ARG  25   3.583  -4.010   1.240
  208    HA   ARG  25           HA       ARG  25   6.142  -4.092   2.428
  209    HB2  ARG  25           HB2      ARG  25   4.861  -5.894   0.376
  210    HB3  ARG  25           HB1      ARG  25   6.388  -6.244   1.177
  211    HG2  ARG  25           HG2      ARG  25   5.225  -6.206   3.348
  212    HG3  ARG  25           HG1      ARG  25   3.703  -5.933   2.503
  213    HD2  ARG  25           HD2      ARG  25   3.906  -8.269   3.047
  214    HD3  ARG  25           HD1      ARG  25   4.032  -8.063   1.301
  215    HE   ARG  25           HE       ARG  25   6.613  -8.037   2.120
  216   HH11  ARG  25          HH11      ARG  25   3.950 -10.244   2.651
  217   HH12  ARG  25          HH12      ARG  25   4.969 -11.640   2.786
  218   HH21  ARG  25          HH21      ARG  25   7.244 -11.435   2.574
  219   HH22  ARG  25          HH22      ARG  25   7.957  -9.880   2.279
  220    H    THR  26           HN       THR  26   5.062  -2.842  -0.576
  221    HA   THR  26           HA       THR  26   7.571  -3.161  -1.941
  222    HB   THR  26           HB       THR  26   5.228  -2.878  -3.026
  223    HG1  THR  26           HG1      THR  26   7.608  -2.603  -3.915
  224   HG21  THR  26          HG21      THR  26   4.576  -0.788  -1.970
  225   HG22  THR  26          HG22      THR  26   4.732  -0.552  -3.710
  226   HG23  THR  26          HG23      THR  26   6.001   0.017  -2.628
  227    H    HIS  27           HN       HIS  27   6.343  -1.000   0.399
  228    HA   HIS  27           HA       HIS  27   8.302   1.065  -0.252
  229    HB2  HIS  27           HB2      HIS  27   6.271   0.908   1.977
  230    HB3  HIS  27           HB1      HIS  27   7.374   2.251   1.727
  231    HD1  HIS  27           HD1      HIS  27   7.017   3.368  -0.888
  232    HD2  HIS  27           HD2      HIS  27   3.879   1.353   0.980
  233    HE1  HIS  27           HE1      HIS  27   4.860   4.193  -1.979
  234    H    THR  28           HN       THR  28   7.366  -0.598   2.752
  235    HA   THR  28           HA       THR  28  10.206  -0.518   3.531
  236    HB   THR  28           HB       THR  28   8.885   1.208   4.701
  237    HG1  THR  28           HG1      THR  28   9.950   0.843   6.515
  238   HG21  THR  28          HG21      THR  28   7.221   0.515   6.390
  239   HG22  THR  28          HG22      THR  28   7.339  -1.141   5.797
  240   HG23  THR  28          HG23      THR  28   6.716   0.129   4.746
  241    H    GLY  29           HN       GLY  29   8.181  -2.643   2.483
  242    HA2  GLY  29           HA2      GLY  29   7.962  -4.599   4.531
  243    HA3  GLY  29           HA1      GLY  29   7.868  -4.911   2.801
  244    H    GLU  30           HN       GLU  30  10.491  -3.710   2.329
  245    HA   GLU  30           HA       GLU  30  12.136  -5.972   3.182
  246    HB2  GLU  30           HB2      GLU  30  13.697  -5.116   1.391
  247    HB3  GLU  30           HB1      GLU  30  12.130  -5.668   0.814
  248    HG2  GLU  30           HG2      GLU  30  11.381  -3.286   0.820
  249    HG3  GLU  30           HG1      GLU  30  13.043  -2.827   1.183
  250    H    LYS  31           HN       LYS  31  11.385  -3.414   4.709
  251    HA   LYS  31           HA       LYS  31  14.127  -2.779   5.548
  252    HB2  LYS  31           HB2      LYS  31  11.907  -0.753   5.200
  253    HB3  LYS  31           HB1      LYS  31  13.499  -0.419   5.861
  254    HG2  LYS  31           HG2      LYS  31  14.503  -1.032   3.702
  255    HG3  LYS  31           HG1      LYS  31  12.888  -1.308   3.049
  256    HD2  LYS  31           HD2      LYS  31  13.607   0.877   2.371
  257    HD3  LYS  31           HD1      LYS  31  12.342   1.068   3.585
  258    HE2  LYS  31           HE2      LYS  31  14.154   2.634   3.991
  259    HE3  LYS  31           HE1      LYS  31  14.056   1.455   5.298
  260    HZ1  LYS  31           HZ1      LYS  31  16.342   1.853   4.601
  261    HZ2  LYS  31           HZ2      LYS  31  15.973   1.348   3.031
  262    HZ3  LYS  31           HZ3      LYS  31  15.894   0.250   4.311
  263    HN1  NH2  32           HN1      NH2  32  11.108  -1.380   6.686
  264    HN2  NH2  32           HN2      NH2  32  11.151  -2.098   8.258
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1 -12.740   5.798  -0.347
    2    H2   ARG   1           HT2      ARG   1 -12.881   5.692   1.334
    3    H3   ARG   1           HT3      ARG   1 -13.599   4.520   0.354
    4    HA   ARG   1           HA       ARG   1 -11.430   3.792  -0.408
    5    HB2  ARG   1           HB2      ARG   1 -10.418   5.783   1.633
    6    HB3  ARG   1           HB1      ARG   1  -9.424   4.645   0.734
    7    HG2  ARG   1           HG2      ARG   1  -9.880   5.760  -1.323
    8    HG3  ARG   1           HG1      ARG   1 -11.096   6.785  -0.560
    9    HD2  ARG   1           HD2      ARG   1  -9.328   7.775   0.852
   10    HD3  ARG   1           HD1      ARG   1  -8.132   6.791   0.009
   11    HE   ARG   1           HE       ARG   1  -9.139   8.034  -2.053
   12   HH11  ARG   1          HH11      ARG   1  -8.536   9.385   1.121
   13   HH12  ARG   1          HH12      ARG   1  -8.232  10.985   0.524
   14   HH21  ARG   1          HH21      ARG   1  -8.741  10.148  -2.844
   15   HH22  ARG   1          HH22      ARG   1  -8.342  11.416  -1.729
   16    HA   PRO   2           HA       PRO   2 -12.738   1.228   3.120
   17    HB2  PRO   2           HB2      PRO   2 -11.436  -0.854   1.467
   18    HB3  PRO   2           HB1      PRO   2 -13.067  -0.818   2.150
   19    HG2  PRO   2           HG2      PRO   2 -12.678  -0.475  -0.466
   20    HG3  PRO   2           HG1      PRO   2 -13.910   0.458   0.402
   21    HD2  PRO   2           HD2      PRO   2 -11.163   1.300  -0.464
   22    HD3  PRO   2           HD1      PRO   2 -12.696   2.190  -0.558
   23    H    PHE   3           HN       PHE   3  -9.666   0.864   1.397
   24    HA   PHE   3           HA       PHE   3  -8.263   1.000   3.971
   25    HB2  PHE   3           HB2      PHE   3  -7.609  -0.936   1.727
   26    HB3  PHE   3           HB1      PHE   3  -6.662  -0.715   3.192
   27    HD1  PHE   3           HD1      PHE   3  -9.618  -2.216   1.728
   28    HD2  PHE   3           HD2      PHE   3  -7.550  -1.442   5.364
   29    HE1  PHE   3           HE1      PHE   3 -11.011  -3.890   2.871
   30    HE2  PHE   3           HE2      PHE   3  -8.937  -3.116   6.514
   31    HZ   PHE   3           HZ       PHE   3 -10.671  -4.343   5.266
   32    H    NLE   4           HN       NLE   4  -6.195   2.018   3.818
   33    HA   NLE   4           HA       NLE   4  -5.576   3.213   1.226
   34    HB2  NLE   4           HB1      NLE   4  -5.831   4.888   3.721
   35    HB3  NLE   4           HB2      NLE   4  -7.116   4.726   2.534
   36    HG2  NLE   4           HG1      NLE   4  -5.673   5.688   0.823
   37    HG3  NLE   4           HG2      NLE   4  -4.369   5.841   2.004
   38    HD2  NLE   4           HD1      NLE   4  -5.724   7.374   3.333
   39    HD3  NLE   4           HD2      NLE   4  -7.065   7.195   2.189
   40    HE1  NLE   4           HE1      NLE   4  -5.816   9.247   1.758
   41    HE2  NLE   4           HE2      NLE   4  -5.663   8.122   0.408
   42    HE3  NLE   4           HE3      NLE   4  -4.335   8.315   1.553
   43    H    CYS   5           HN       CYS   5  -3.504   3.365   0.835
   44    HA   CYS   5           HA       CYS   5  -1.537   2.308   2.540
   45    HB2  CYS   5           HB2      CYS   5  -0.868   2.173   0.351
   46    HB3  CYS   5           HB1      CYS   5  -1.562   3.734  -0.068
   47    H    THR   6           HN       THR   6  -2.351   5.633   1.684
   48    HA   THR   6           HA       THR   6  -2.190   7.586   2.808
   49    HB   THR   6           HB       THR   6  -1.322   6.100   5.277
   50    HG1  THR   6           HG1      THR   6  -3.092   4.940   4.816
   51   HG21  THR   6          HG21      THR   6  -2.651   7.820   6.407
   52   HG22  THR   6          HG22      THR   6  -3.083   8.518   4.846
   53   HG23  THR   6          HG23      THR   6  -1.407   8.553   5.392
   54    H    TRP   7           HN       TRP   7   0.455   5.635   2.268
   55    HA   TRP   7           HA       TRP   7   2.534   6.990   3.607
   56    HB2  TRP   7           HB2      TRP   7   2.567   4.717   2.373
   57    HB3  TRP   7           HB1      TRP   7   2.837   5.668   0.921
   58    HD1  TRP   7           HD1      TRP   7   5.110   7.403   1.195
   59    HE1  TRP   7           HE1      TRP   7   7.423   6.741   2.115
   60    HE3  TRP   7           HE3      TRP   7   3.758   3.243   3.815
   61    HZ2  TRP   7           HZ2      TRP   7   8.524   4.694   3.729
   62    HZ3  TRP   7           HZ3      TRP   7   5.498   1.980   5.013
   63    HH2  TRP   7           HH2      TRP   7   7.827   2.691   4.968
   64    H    SER   8           HN       SER   8   3.707   8.758   3.076
   65    HA   SER   8           HA       SER   8   2.587  10.757   1.497
   66    HB2  SER   8           HB2      SER   8   4.197  11.100   3.376
   67    HB3  SER   8           HB1      SER   8   5.486  10.526   2.323
   68    HG   SER   8           HG       SER   8   5.405  12.775   2.275
   69    H    TYR   9           HN       TYR   9   3.016  11.558  -0.507
   70    HA   TYR   9           HA       TYR   9   3.513  11.558  -2.711
   71    HB2  TYR   9           HB2      TYR   9   5.945   9.977  -1.861
   72    HB3  TYR   9           HB1      TYR   9   5.717  10.730  -3.436
   73    HD1  TYR   9           HD1      TYR   9   6.922  11.177  -0.121
   74    HD2  TYR   9           HD2      TYR   9   5.359  13.285  -3.467
   75    HE1  TYR   9           HE1      TYR   9   7.913  13.256   0.732
   76    HE2  TYR   9           HE2      TYR   9   6.345  15.369  -2.621
   77    HH   TYR   9           HH       TYR   9   7.127  16.328  -0.516
   78    H    CYS  10           HN       CYS  10   2.039   9.301  -1.383
   79    HA   CYS  10           HA       CYS  10   1.956   7.639  -3.785
   80    HB2  CYS  10           HB2      CYS  10   3.348   6.504  -2.055
   81    HB3  CYS  10           HB1      CYS  10   1.955   6.516  -0.986
   82    H    GLY  11           HN       GLY  11   0.362   7.570  -0.589
   83    HA2  GLY  11           HA2      GLY  11  -1.862   7.546  -0.010
   84    HA3  GLY  11           HA1      GLY  11  -2.007   8.826  -1.201
   85    H    LYS  12           HN       LYS  12  -1.348   5.346  -1.566
   86    HA   LYS  12           HA       LYS  12  -3.314   5.219  -3.684
   87    HB2  LYS  12           HB2      LYS  12  -1.085   4.099  -3.853
   88    HB3  LYS  12           HB1      LYS  12  -1.581   3.007  -2.567
   89    HG2  LYS  12           HG2      LYS  12  -3.278   2.050  -3.923
   90    HG3  LYS  12           HG1      LYS  12  -3.065   3.286  -5.165
   91    HD2  LYS  12           HD2      LYS  12  -0.779   2.457  -5.563
   92    HD3  LYS  12           HD1      LYS  12  -1.045   1.194  -4.362
   93    HE2  LYS  12           HE2      LYS  12  -1.368   0.319  -6.609
   94    HE3  LYS  12           HE1      LYS  12  -2.884   0.303  -5.712
   95    HZ1  LYS  12           HZ1      LYS  12  -3.571   2.289  -6.860
   96    HZ2  LYS  12           HZ2      LYS  12  -3.153   1.101  -7.988
   97    HZ3  LYS  12           HZ3      LYS  12  -2.093   2.381  -7.676
   98    H    ARG  13           HN       ARG  13  -5.223   4.116  -3.635
   99    HA   ARG  13           HA       ARG  13  -6.202   3.371  -0.970
  100    HB2  ARG  13           HB2      ARG  13  -8.417   3.750  -1.819
  101    HB3  ARG  13           HB1      ARG  13  -7.419   5.114  -2.304
  102    HG2  ARG  13           HG2      ARG  13  -7.147   4.051  -4.533
  103    HG3  ARG  13           HG1      ARG  13  -8.282   2.803  -4.024
  104    HD2  ARG  13           HD2      ARG  13  -9.984   4.542  -3.650
  105    HD3  ARG  13           HD1      ARG  13  -8.846   5.757  -4.231
  106    HE   ARG  13           HE       ARG  13  -8.888   4.090  -6.300
  107   HH11  ARG  13          HH11      ARG  13 -11.526   5.385  -4.400
  108   HH12  ARG  13          HH12      ARG  13 -12.664   5.335  -5.706
  109   HH21  ARG  13          HH21      ARG  13 -10.381   4.028  -8.033
  110   HH22  ARG  13          HH22      ARG  13 -12.011   4.569  -7.780
  111    H    PHE  14           HN       PHE  14  -7.423   1.455  -0.661
  112    HA   PHE  14           HA       PHE  14  -7.314  -0.559  -2.789
  113    HB2  PHE  14           HB2      PHE  14  -6.380  -1.040   0.055
  114    HB3  PHE  14           HB1      PHE  14  -6.506  -2.261  -1.209
  115    HD1  PHE  14           HD1      PHE  14  -4.542   0.410   0.181
  116    HD2  PHE  14           HD2      PHE  14  -5.029  -2.146  -3.178
  117    HE1  PHE  14           HE1      PHE  14  -2.266   0.954  -0.562
  118    HE2  PHE  14           HE2      PHE  14  -2.752  -1.607  -3.923
  119    HZ   PHE  14           HZ       PHE  14  -1.374  -0.056  -2.610
  120    H    THR  15           HN       THR  15  -8.809  -2.274  -2.516
  121    HA   THR  15           HA       THR  15 -11.119  -1.501  -0.899
  122    HB   THR  15           HB       THR  15 -12.306  -3.224  -2.348
  123    HG1  THR  15           HG1      THR  15 -10.874  -4.402  -3.425
  124   HG21  THR  15          HG21      THR  15 -11.045  -0.827  -3.683
  125   HG22  THR  15          HG22      THR  15 -12.529  -0.824  -2.731
  126   HG23  THR  15          HG23      THR  15 -12.467  -1.689  -4.265
  127    H    ARG  16           HN       ARG  16  -8.574  -3.734  -0.999
  128    HA   ARG  16           HA       ARG  16  -9.877  -5.277   1.127
  129    HB2  ARG  16           HB2      ARG  16  -9.040  -7.369   0.248
  130    HB3  ARG  16           HB1      ARG  16 -10.004  -6.573  -0.981
  131    HG2  ARG  16           HG2      ARG  16  -8.037  -5.890  -2.164
  132    HG3  ARG  16           HG1      ARG  16  -7.004  -6.489  -0.865
  133    HD2  ARG  16           HD2      ARG  16  -8.785  -8.141  -2.653
  134    HD3  ARG  16           HD1      ARG  16  -7.025  -8.060  -2.710
  135    HE   ARG  16           HE       ARG  16  -8.046  -8.873  -0.150
  136   HH11  ARG  16          HH11      ARG  16  -7.125  -9.965  -3.342
  137   HH12  ARG  16          HH12      ARG  16  -6.852 -11.604  -2.841
  138   HH21  ARG  16          HH21      ARG  16  -7.661 -11.018   0.524
  139   HH22  ARG  16          HH22      ARG  16  -7.154 -12.202  -0.637
  140    H    SER  17           HN       SER  17  -8.524  -6.037   2.732
  141    HA   SER  17           HA       SER  17  -6.404  -4.240   3.293
  142    HB2  SER  17           HB2      SER  17  -6.174  -5.658   5.381
  143    HB3  SER  17           HB1      SER  17  -7.767  -4.956   5.104
  144    HG   SER  17           HG       SER  17  -7.212  -7.475   5.492
  145    H    ASP  18           HN       ASP  18  -6.498  -7.553   2.154
  146    HA   ASP  18           HA       ASP  18  -3.800  -8.204   2.669
  147    HB2  ASP  18           HB2      ASP  18  -5.780  -9.246   0.653
  148    HB3  ASP  18           HB1      ASP  18  -4.128  -9.845   0.727
  149    H    GLU  19           HN       GLU  19  -5.381  -6.514   0.054
  150    HA   GLU  19           HA       GLU  19  -3.171  -6.464  -1.721
  151    HB2  GLU  19           HB2      GLU  19  -5.699  -5.904  -2.123
  152    HB3  GLU  19           HB1      GLU  19  -5.225  -4.285  -1.636
  153    HG2  GLU  19           HG2      GLU  19  -5.167  -4.420  -4.008
  154    HG3  GLU  19           HG1      GLU  19  -3.510  -4.312  -3.414
  155    H    LEU  20           HN       LEU  20  -4.408  -4.248   0.729
  156    HA   LEU  20           HA       LEU  20  -2.472  -2.244   0.472
  157    HB2  LEU  20           HB2      LEU  20  -4.451  -1.803   1.725
  158    HB3  LEU  20           HB1      LEU  20  -4.144  -3.147   2.805
  159    HG   LEU  20           HG       LEU  20  -2.181  -1.954   3.710
  160   HD11  LEU  20          HD11      LEU  20  -1.667  -0.613   1.724
  161   HD12  LEU  20          HD12      LEU  20  -1.820   0.379   3.173
  162   HD13  LEU  20          HD13      LEU  20  -3.132   0.334   1.996
  163   HD21  LEU  20          HD21      LEU  20  -3.425  -0.286   4.966
  164   HD22  LEU  20          HD22      LEU  20  -4.368  -1.766   4.792
  165   HD23  LEU  20          HD23      LEU  20  -4.738  -0.363   3.791
  166    H    GLN  21           HN       GLN  21  -2.536  -5.182   2.460
  167    HA   GLN  21           HA       GLN  21  -0.145  -4.736   3.843
  168    HB2  GLN  21           HB2      GLN  21  -1.546  -7.285   3.053
  169    HB3  GLN  21           HB1      GLN  21  -0.077  -7.279   4.021
  170    HG2  GLN  21           HG2      GLN  21  -2.708  -6.006   4.742
  171    HG3  GLN  21           HG1      GLN  21  -2.010  -7.463   5.448
  172   HE21  GLN  21          HE21      GLN  21  -0.224  -7.278   6.815
  173   HE22  GLN  21          HE22      GLN  21   0.191  -5.777   7.572
  174    H    ARG  22           HN       ARG  22  -0.707  -6.468   0.794
  175    HA   ARG  22           HA       ARG  22   1.939  -7.190   0.236
  176    HB2  ARG  22           HB2      ARG  22  -0.243  -6.382  -1.700
  177    HB3  ARG  22           HB1      ARG  22   1.234  -7.225  -2.137
  178    HG2  ARG  22           HG2      ARG  22   0.562  -9.174  -0.951
  179    HG3  ARG  22           HG1      ARG  22  -0.809  -8.326  -0.226
  180    HD2  ARG  22           HD2      ARG  22  -1.766  -8.010  -2.468
  181    HD3  ARG  22           HD1      ARG  22  -0.419  -8.907  -3.159
  182    HE   ARG  22           HE       ARG  22  -1.372 -10.695  -1.443
  183   HH11  ARG  22          HH11      ARG  22  -3.074  -8.593  -3.674
  184   HH12  ARG  22          HH12      ARG  22  -4.341  -9.741  -3.985
  185   HH21  ARG  22          HH21      ARG  22  -3.055 -12.203  -1.837
  186   HH22  ARG  22          HH22      ARG  22  -4.331 -11.791  -2.937
  187    H    HIS  23           HN       HIS  23   0.130  -4.272  -0.402
  188    HA   HIS  23           HA       HIS  23   2.085  -2.981  -1.981
  189    HB2  HIS  23           HB2      HIS  23  -0.254  -2.378  -2.137
  190    HB3  HIS  23           HB1      HIS  23  -0.282  -1.912  -0.439
  191    HD1  HIS  23           HD1      HIS  23   0.676  -0.641  -3.831
  192    HD2  HIS  23           HD2      HIS  23   0.951   0.506   0.166
  193    HE1  HIS  23           HE1      HIS  23   1.410   1.799  -3.823
  194    H    LYS  24           HN       LYS  24   1.276  -2.790   1.472
  195    HA   LYS  24           HA       LYS  24   3.059  -0.763   2.201
  196    HB2  LYS  24           HB2      LYS  24   2.102  -3.177   3.742
  197    HB3  LYS  24           HB1      LYS  24   3.047  -1.882   4.464
  198    HG2  LYS  24           HG2      LYS  24   1.301  -0.293   4.047
  199    HG3  LYS  24           HG1      LYS  24   0.380  -1.483   3.126
  200    HD2  LYS  24           HD2      LYS  24  -0.539  -1.228   5.367
  201    HD3  LYS  24           HD1      LYS  24   0.121  -2.846   5.137
  202    HE2  LYS  24           HE2      LYS  24   2.159  -2.172   6.325
  203    HE3  LYS  24           HE1      LYS  24   1.480  -0.564   6.572
  204    HZ1  LYS  24           HZ1      LYS  24   0.384  -3.111   7.636
  205    HZ2  LYS  24           HZ2      LYS  24  -0.332  -1.590   7.828
  206    HZ3  LYS  24           HZ3      LYS  24   1.172  -1.910   8.528
  207    H    ARG  25           HN       ARG  25   3.523  -4.195   1.695
  208    HA   ARG  25           HA       ARG  25   6.175  -4.306   2.689
  209    HB2  ARG  25           HB2      ARG  25   4.702  -6.121   0.783
  210    HB3  ARG  25           HB1      ARG  25   6.259  -6.494   1.512
  211    HG2  ARG  25           HG2      ARG  25   5.239  -6.408   3.731
  212    HG3  ARG  25           HG1      ARG  25   3.682  -6.027   2.997
  213    HD2  ARG  25           HD2      ARG  25   3.781  -8.378   3.545
  214    HD3  ARG  25           HD1      ARG  25   3.750  -8.168   1.795
  215    HE   ARG  25           HE       ARG  25   6.420  -8.314   2.576
  216   HH11  ARG  25          HH11      ARG  25   3.581 -10.359   2.518
  217   HH12  ARG  25          HH12      ARG  25   4.488 -11.832   2.370
  218   HH21  ARG  25          HH21      ARG  25   6.783 -11.773   2.303
  219   HH22  ARG  25          HH22      ARG  25   7.621 -10.254   2.386
  220    H    THR  26           HN       THR  26   4.844  -3.016  -0.142
  221    HA   THR  26           HA       THR  26   7.145  -3.368  -1.821
  222    HB   THR  26           HB       THR  26   4.888  -1.380  -2.150
  223    HG1  THR  26           HG1      THR  26   4.710  -3.990  -2.131
  224   HG21  THR  26          HG21      THR  26   6.793  -2.603  -4.150
  225   HG22  THR  26          HG22      THR  26   6.849  -0.944  -3.556
  226   HG23  THR  26          HG23      THR  26   5.479  -1.488  -4.524
  227    H    HIS  27           HN       HIS  27   5.870  -0.816   0.286
  228    HA   HIS  27           HA       HIS  27   7.827   1.127  -0.404
  229    HB2  HIS  27           HB2      HIS  27   5.999   0.845   1.971
  230    HB3  HIS  27           HB1      HIS  27   7.180   2.143   1.860
  231    HD1  HIS  27           HD1      HIS  27   6.827   3.815  -0.291
  232    HD2  HIS  27           HD2      HIS  27   3.666   1.301   0.742
  233    HE1  HIS  27           HE1      HIS  27   4.740   4.774  -1.403
  234    H    THR  28           HN       THR  28   7.589  -1.305   2.135
  235    HA   THR  28           HA       THR  28  10.030  -0.580   3.400
  236    HB   THR  28           HB       THR  28   9.797  -3.038   4.282
  237    HG1  THR  28           HG1      THR  28   7.082  -2.783   3.790
  238   HG21  THR  28          HG21      THR  28   8.146  -2.278   5.942
  239   HG22  THR  28          HG22      THR  28   7.767  -0.892   4.918
  240   HG23  THR  28          HG23      THR  28   9.372  -1.049   5.630
  241    H    GLY  29           HN       GLY  29   9.257  -2.300   0.556
  242    HA2  GLY  29           HA2      GLY  29  11.727  -3.762   0.359
  243    HA3  GLY  29           HA1      GLY  29  10.568  -3.494  -0.937
  244    H    GLU  30           HN       GLU  30  10.471  -0.719  -0.964
  245    HA   GLU  30           HA       GLU  30  12.887  -0.060  -2.349
  246    HB2  GLU  30           HB2      GLU  30  10.603   1.724  -1.469
  247    HB3  GLU  30           HB1      GLU  30  11.880   2.188  -2.583
  248    HG2  GLU  30           HG2      GLU  30  11.108   0.456  -4.151
  249    HG3  GLU  30           HG1      GLU  30   9.803   0.056  -3.033
  250    H    LYS  31           HN       LYS  31  11.395   0.958   0.691
  251    HA   LYS  31           HA       LYS  31  13.919   2.258   1.463
  252    HB2  LYS  31           HB2      LYS  31  11.154   2.672   2.621
  253    HB3  LYS  31           HB1      LYS  31  12.599   3.597   3.007
  254    HG2  LYS  31           HG2      LYS  31  12.673   4.463   0.737
  255    HG3  LYS  31           HG1      LYS  31  11.253   3.506   0.314
  256    HD2  LYS  31           HD2      LYS  31   9.954   4.734   2.009
  257    HD3  LYS  31           HD1      LYS  31  11.372   5.725   2.354
  258    HE2  LYS  31           HE2      LYS  31   9.890   5.547  -0.266
  259    HE3  LYS  31           HE1      LYS  31   9.870   6.902   0.859
  260    HZ1  LYS  31           HZ1      LYS  31  11.356   7.365  -0.949
  261    HZ2  LYS  31           HZ2      LYS  31  12.208   5.930  -0.691
  262    HZ3  LYS  31           HZ3      LYS  31  12.269   7.167   0.461
  263    HN1  NH2  32           HN1      NH2  32  14.949   0.443   2.227
  264    HN2  NH2  32           HN2      NH2  32  14.439  -0.418   3.637
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1 -13.841   4.334  -0.008
    2    H2   ARG   1           HT2      ARG   1 -12.748   5.083  -1.056
    3    H3   ARG   1           HT3      ARG   1 -12.647   5.351   0.613
    4    HA   ARG   1           HA       ARG   1 -12.288   2.716  -0.659
    5    HB2  ARG   1           HB2      ARG   1  -9.923   2.954  -0.476
    6    HB3  ARG   1           HB1      ARG   1 -10.506   4.391  -1.297
    7    HG2  ARG   1           HG2      ARG   1 -10.013   4.381   1.659
    8    HG3  ARG   1           HG1      ARG   1  -8.708   4.647   0.505
    9    HD2  ARG   1           HD2      ARG   1  -9.805   6.594  -0.373
   10    HD3  ARG   1           HD1      ARG   1 -11.241   6.277   0.596
   11    HE   ARG   1           HE       ARG   1  -9.233   6.500   2.428
   12   HH11  ARG   1          HH11      ARG   1 -10.448   8.539  -0.142
   13   HH12  ARG   1          HH12      ARG   1 -10.038  10.021   0.653
   14   HH21  ARG   1          HH21      ARG   1  -8.687   8.451   3.492
   15   HH22  ARG   1          HH22      ARG   1  -9.023   9.970   2.727
   16    HA   PRO   2           HA       PRO   2 -12.594   1.441   3.623
   17    HB2  PRO   2           HB2      PRO   2 -11.555  -1.146   2.821
   18    HB3  PRO   2           HB1      PRO   2 -13.187  -0.726   3.351
   19    HG2  PRO   2           HG2      PRO   2 -12.577  -1.467   0.802
   20    HG3  PRO   2           HG1      PRO   2 -13.933  -0.406   1.218
   21    HD2  PRO   2           HD2      PRO   2 -11.231   0.308   0.145
   22    HD3  PRO   2           HD1      PRO   2 -12.822   0.987  -0.248
   23    H    PHE   3           HN       PHE   3  -9.783   0.840   1.587
   24    HA   PHE   3           HA       PHE   3  -8.059   1.199   3.938
   25    HB2  PHE   3           HB2      PHE   3  -7.577  -0.843   1.749
   26    HB3  PHE   3           HB1      PHE   3  -6.579  -0.576   3.172
   27    HD1  PHE   3           HD1      PHE   3  -9.401  -2.298   1.821
   28    HD2  PHE   3           HD2      PHE   3  -7.566  -1.039   5.443
   29    HE1  PHE   3           HE1      PHE   3 -10.763  -3.920   3.069
   30    HE2  PHE   3           HE2      PHE   3  -8.918  -2.662   6.699
   31    HZ   PHE   3           HZ       PHE   3 -10.524  -4.106   5.511
   32    H    NLE   4           HN       NLE   4  -6.126   2.280   3.535
   33    HA   NLE   4           HA       NLE   4  -5.465   3.018   0.808
   34    HB2  NLE   4           HB1      NLE   4  -5.950   5.143   2.900
   35    HB3  NLE   4           HB2      NLE   4  -7.090   4.743   1.627
   36    HG2  NLE   4           HG1      NLE   4  -5.449   5.405  -0.060
   37    HG3  NLE   4           HG2      NLE   4  -4.300   5.803   1.215
   38    HD2  NLE   4           HD1      NLE   4  -7.003   7.103   0.877
   39    HD3  NLE   4           HD2      NLE   4  -5.472   7.789   0.317
   40    HE1  NLE   4           HE1      NLE   4  -4.637   7.805   2.615
   41    HE2  NLE   4           HE2      NLE   4  -6.162   7.118   3.178
   42    HE3  NLE   4           HE3      NLE   4  -6.127   8.735   2.476
   43    H    CYS   5           HN       CYS   5  -3.337   3.362   0.524
   44    HA   CYS   5           HA       CYS   5  -1.521   2.878   2.688
   45    HB2  CYS   5           HB2      CYS   5  -0.889   2.091   0.510
   46    HB3  CYS   5           HB1      CYS   5  -1.109   3.689  -0.190
   47    H    THR   6           HN       THR   6  -1.093   4.391   4.160
   48    HA   THR   6           HA       THR   6  -1.556   7.177   3.546
   49    HB   THR   6           HB       THR   6  -0.928   7.501   5.985
   50    HG1  THR   6           HG1      THR   6  -0.501   5.763   7.203
   51   HG21  THR   6          HG21      THR   6  -3.041   6.548   6.812
   52   HG22  THR   6          HG22      THR   6  -3.185   5.604   5.328
   53   HG23  THR   6          HG23      THR   6  -3.251   7.365   5.262
   54    H    TRP   7           HN       TRP   7   0.880   5.441   2.617
   55    HA   TRP   7           HA       TRP   7   3.153   6.726   3.730
   56    HB2  TRP   7           HB2      TRP   7   3.055   4.526   2.371
   57    HB3  TRP   7           HB1      TRP   7   3.074   5.569   0.955
   58    HD1  TRP   7           HD1      TRP   7   5.319   7.159   0.681
   59    HE1  TRP   7           HE1      TRP   7   7.756   6.670   1.363
   60    HE3  TRP   7           HE3      TRP   7   4.478   3.376   4.009
   61    HZ2  TRP   7           HZ2      TRP   7   9.132   4.895   3.079
   62    HZ3  TRP   7           HZ3      TRP   7   6.408   2.332   5.122
   63    HH2  TRP   7           HH2      TRP   7   8.682   3.074   4.666
   64    H    SER   8           HN       SER   8   4.153   8.558   3.168
   65    HA   SER   8           HA       SER   8   2.717  10.616   1.974
   66    HB2  SER   8           HB2      SER   8   5.710  10.443   2.352
   67    HB3  SER   8           HB1      SER   8   4.756  11.917   2.197
   68    HG   SER   8           HG       SER   8   5.382  10.869   4.413
   69    H    TYR   9           HN       TYR   9   2.653  11.494  -0.006
   70    HA   TYR   9           HA       TYR   9   2.912  11.814  -2.234
   71    HB2  TYR   9           HB2      TYR   9   5.500  10.294  -1.882
   72    HB3  TYR   9           HB1      TYR   9   5.021  11.147  -3.344
   73    HD1  TYR   9           HD1      TYR   9   6.731  11.397  -0.253
   74    HD2  TYR   9           HD2      TYR   9   4.523  13.680  -3.081
   75    HE1  TYR   9           HE1      TYR   9   7.744  13.454   0.625
   76    HE2  TYR   9           HE2      TYR   9   5.530  15.744  -2.210
   77    HH   TYR   9           HH       TYR   9   8.220  15.740  -0.145
   78    H    CYS  10           HN       CYS  10   2.310   8.913  -0.852
   79    HA   CYS  10           HA       CYS  10   2.096   7.530  -3.427
   80    HB2  CYS  10           HB2      CYS  10   3.332   6.404  -1.567
   81    HB3  CYS  10           HB1      CYS  10   1.824   6.354  -0.664
   82    H    GLY  11           HN       GLY  11   0.170   7.280  -0.429
   83    HA2  GLY  11           HA2      GLY  11  -2.100   7.263  -0.092
   84    HA3  GLY  11           HA1      GLY  11  -2.128   8.563  -1.272
   85    H    LYS  12           HN       LYS  12  -1.434   5.079  -1.578
   86    HA   LYS  12           HA       LYS  12  -3.211   4.984  -3.876
   87    HB2  LYS  12           HB2      LYS  12  -0.875   3.932  -3.780
   88    HB3  LYS  12           HB1      LYS  12  -1.596   2.698  -2.756
   89    HG2  LYS  12           HG2      LYS  12  -2.920   1.870  -4.483
   90    HG3  LYS  12           HG1      LYS  12  -2.721   3.329  -5.460
   91    HD2  LYS  12           HD2      LYS  12  -0.301   2.776  -5.668
   92    HD3  LYS  12           HD1      LYS  12  -0.622   1.254  -4.839
   93    HE2  LYS  12           HE2      LYS  12  -2.004   2.094  -7.378
   94    HE3  LYS  12           HE1      LYS  12  -0.533   1.126  -7.350
   95    HZ1  LYS  12           HZ1      LYS  12  -3.112   0.364  -6.092
   96    HZ2  LYS  12           HZ2      LYS  12  -1.704  -0.570  -6.108
   97    HZ3  LYS  12           HZ3      LYS  12  -2.516  -0.243  -7.550
   98    H    ARG  13           HN       ARG  13  -5.159   3.972  -3.906
   99    HA   ARG  13           HA       ARG  13  -6.256   3.290  -1.278
  100    HB2  ARG  13           HB2      ARG  13  -7.641   3.807  -3.916
  101    HB3  ARG  13           HB1      ARG  13  -8.443   3.552  -2.375
  102    HG2  ARG  13           HG2      ARG  13  -7.540   5.591  -1.497
  103    HG3  ARG  13           HG1      ARG  13  -6.543   5.816  -2.936
  104    HD2  ARG  13           HD2      ARG  13  -9.558   5.771  -2.884
  105    HD3  ARG  13           HD1      ARG  13  -8.561   7.221  -2.977
  106    HE   ARG  13           HE       ARG  13  -7.685   6.120  -5.120
  107   HH11  ARG  13          HH11      ARG  13 -10.970   5.800  -3.937
  108   HH12  ARG  13          HH12      ARG  13 -11.648   5.575  -5.516
  109   HH21  ARG  13          HH21      ARG  13  -8.584   5.831  -7.198
  110   HH22  ARG  13          HH22      ARG  13 -10.295   5.595  -7.367
  111    H    PHE  14           HN       PHE  14  -7.333   1.384  -0.827
  112    HA   PHE  14           HA       PHE  14  -7.427  -0.693  -2.890
  113    HB2  PHE  14           HB2      PHE  14  -6.259  -1.136  -0.129
  114    HB3  PHE  14           HB1      PHE  14  -6.463  -2.358  -1.382
  115    HD1  PHE  14           HD1      PHE  14  -4.391   0.289  -0.109
  116    HD2  PHE  14           HD2      PHE  14  -5.132  -2.211  -3.462
  117    HE1  PHE  14           HE1      PHE  14  -2.147   0.798  -0.976
  118    HE2  PHE  14           HE2      PHE  14  -2.890  -1.703  -4.338
  119    HZ   PHE  14           HZ       PHE  14  -1.419  -0.148  -3.111
  120    H    THR  15           HN       THR  15  -9.037  -2.224  -2.569
  121    HA   THR  15           HA       THR  15 -11.077  -1.456  -0.627
  122    HB   THR  15           HB       THR  15 -11.360  -3.434  -2.892
  123    HG1  THR  15           HG1      THR  15 -11.824  -1.772  -4.204
  124   HG21  THR  15          HG21      THR  15 -13.409  -1.805  -1.379
  125   HG22  THR  15          HG22      THR  15 -13.104  -3.527  -1.154
  126   HG23  THR  15          HG23      THR  15 -13.744  -2.938  -2.687
  127    H    ARG  16           HN       ARG  16  -8.590  -3.670  -0.981
  128    HA   ARG  16           HA       ARG  16  -9.753  -5.330   1.140
  129    HB2  ARG  16           HB2      ARG  16  -8.450  -7.282   0.122
  130    HB3  ARG  16           HB1      ARG  16  -9.920  -6.781  -0.703
  131    HG2  ARG  16           HG2      ARG  16  -8.599  -5.559  -2.335
  132    HG3  ARG  16           HG1      ARG  16  -7.123  -6.021  -1.496
  133    HD2  ARG  16           HD2      ARG  16  -9.082  -7.976  -2.688
  134    HD3  ARG  16           HD1      ARG  16  -7.646  -7.389  -3.518
  135    HE   ARG  16           HE       ARG  16  -6.532  -8.368  -1.337
  136   HH11  ARG  16          HH11      ARG  16  -9.107  -9.714  -3.274
  137   HH12  ARG  16          HH12      ARG  16  -8.656 -11.359  -2.971
  138   HH21  ARG  16          HH21      ARG  16  -5.897 -10.548  -0.956
  139   HH22  ARG  16          HH22      ARG  16  -6.838 -11.834  -1.657
  140    H    SER  17           HN       SER  17  -8.457  -5.813   2.802
  141    HA   SER  17           HA       SER  17  -6.324  -4.002   3.242
  142    HB2  SER  17           HB2      SER  17  -7.932  -4.854   4.979
  143    HB3  SER  17           HB1      SER  17  -7.065  -6.389   4.939
  144    HG   SER  17           HG       SER  17  -6.425  -4.070   6.190
  145    H    ASP  18           HN       ASP  18  -6.478  -7.356   2.324
  146    HA   ASP  18           HA       ASP  18  -3.806  -8.074   2.843
  147    HB2  ASP  18           HB2      ASP  18  -5.306  -9.842   2.443
  148    HB3  ASP  18           HB1      ASP  18  -5.902  -9.120   0.958
  149    H    GLU  19           HN       GLU  19  -5.337  -6.466   0.133
  150    HA   GLU  19           HA       GLU  19  -3.058  -6.584  -1.586
  151    HB2  GLU  19           HB2      GLU  19  -5.441  -6.245  -2.342
  152    HB3  GLU  19           HB1      GLU  19  -5.343  -4.614  -1.698
  153    HG2  GLU  19           HG2      GLU  19  -4.978  -4.495  -4.029
  154    HG3  GLU  19           HG1      GLU  19  -3.435  -4.200  -3.231
  155    H    LEU  20           HN       LEU  20  -4.394  -4.252   0.702
  156    HA   LEU  20           HA       LEU  20  -2.486  -2.224   0.300
  157    HB2  LEU  20           HB2      LEU  20  -4.479  -1.696   1.500
  158    HB3  LEU  20           HB1      LEU  20  -4.166  -2.944   2.690
  159    HG   LEU  20           HG       LEU  20  -2.218  -1.677   3.505
  160   HD11  LEU  20          HD11      LEU  20  -1.675  -0.537   1.398
  161   HD12  LEU  20          HD12      LEU  20  -1.810   0.584   2.750
  162   HD13  LEU  20          HD13      LEU  20  -3.119   0.456   1.580
  163   HD21  LEU  20          HD21      LEU  20  -4.463  -1.356   4.492
  164   HD22  LEU  20          HD22      LEU  20  -4.708   0.011   3.404
  165   HD23  LEU  20          HD23      LEU  20  -3.435   0.071   4.621
  166    H    GLN  21           HN       GLN  21  -2.579  -4.915   2.642
  167    HA   GLN  21           HA       GLN  21  -0.166  -4.404   3.939
  168    HB2  GLN  21           HB2      GLN  21  -1.553  -7.009   3.307
  169    HB3  GLN  21           HB1      GLN  21  -0.090  -6.928   4.275
  170    HG2  GLN  21           HG2      GLN  21  -1.235  -5.546   5.917
  171    HG3  GLN  21           HG1      GLN  21  -2.703  -5.595   4.939
  172   HE21  GLN  21          HE21      GLN  21  -2.163  -6.536   7.670
  173   HE22  GLN  21          HE22      GLN  21  -2.610  -8.205   7.684
  174    H    ARG  22           HN       ARG  22  -0.780  -6.456   1.126
  175    HA   ARG  22           HA       ARG  22   1.823  -7.208   0.526
  176    HB2  ARG  22           HB2      ARG  22  -0.087  -8.200  -0.563
  177    HB3  ARG  22           HB1      ARG  22  -0.542  -6.660  -1.270
  178    HG2  ARG  22           HG2      ARG  22   1.570  -6.700  -2.570
  179    HG3  ARG  22           HG1      ARG  22   1.864  -8.324  -1.944
  180    HD2  ARG  22           HD2      ARG  22  -0.145  -9.144  -2.966
  181    HD3  ARG  22           HD1      ARG  22  -0.611  -7.518  -3.454
  182    HE   ARG  22           HE       ARG  22   1.871  -8.664  -4.502
  183   HH11  ARG  22          HH11      ARG  22  -1.393  -7.500  -5.015
  184   HH12  ARG  22          HH12      ARG  22  -1.260  -7.538  -6.746
  185   HH21  ARG  22          HH21      ARG  22   2.049  -8.693  -6.773
  186   HH22  ARG  22          HH22      ARG  22   0.695  -8.220  -7.746
  187    H    HIS  23           HN       HIS  23  -0.006  -4.373  -0.521
  188    HA   HIS  23           HA       HIS  23   1.984  -3.245  -2.146
  189    HB2  HIS  23           HB2      HIS  23  -0.250  -2.450  -2.393
  190    HB3  HIS  23           HB1      HIS  23  -0.368  -2.041  -0.684
  191    HD1  HIS  23           HD1      HIS  23   0.831  -0.673  -3.965
  192    HD2  HIS  23           HD2      HIS  23   0.956   0.291   0.092
  193    HE1  HIS  23           HE1      HIS  23   1.702   1.718  -3.805
  194    H    LYS  24           HN       LYS  24   1.242  -2.757   1.298
  195    HA   LYS  24           HA       LYS  24   3.053  -0.695   1.804
  196    HB2  LYS  24           HB2      LYS  24   2.140  -2.937   3.606
  197    HB3  LYS  24           HB1      LYS  24   3.060  -1.546   4.162
  198    HG2  LYS  24           HG2      LYS  24   1.259  -0.058   3.530
  199    HG3  LYS  24           HG1      LYS  24   0.347  -1.411   2.858
  200    HD2  LYS  24           HD2      LYS  24  -0.524  -0.875   5.038
  201    HD3  LYS  24           HD1      LYS  24   0.294  -2.437   5.110
  202    HE2  LYS  24           HE2      LYS  24   0.872  -1.139   7.060
  203    HE3  LYS  24           HE1      LYS  24   2.292  -1.307   6.029
  204    HZ1  LYS  24           HZ1      LYS  24   1.853   0.923   5.165
  205    HZ2  LYS  24           HZ2      LYS  24   2.097   0.938   6.837
  206    HZ3  LYS  24           HZ3      LYS  24   0.533   1.077   6.211
  207    H    ARG  25           HN       ARG  25   3.534  -4.124   1.454
  208    HA   ARG  25           HA       ARG  25   6.153  -4.178   2.552
  209    HB2  ARG  25           HB2      ARG  25   4.754  -6.119   0.715
  210    HB3  ARG  25           HB1      ARG  25   6.275  -6.435   1.545
  211    HG2  ARG  25           HG2      ARG  25   5.095  -6.073   3.705
  212    HG3  ARG  25           HG1      ARG  25   3.585  -5.949   2.803
  213    HD2  ARG  25           HD2      ARG  25   3.798  -8.186   3.646
  214    HD3  ARG  25           HD1      ARG  25   4.004  -8.215   1.897
  215    HE   ARG  25           HE       ARG  25   6.516  -7.971   3.147
  216   HH11  ARG  25          HH11      ARG  25   3.959 -10.304   2.632
  217   HH12  ARG  25          HH12      ARG  25   5.013 -11.679   2.718
  218   HH21  ARG  25          HH21      ARG  25   7.276 -11.367   3.078
  219   HH22  ARG  25          HH22      ARG  25   7.913  -9.766   3.276
  220    H    THR  26           HN       THR  26   4.984  -2.902  -0.327
  221    HA   THR  26           HA       THR  26   7.361  -3.387  -1.884
  222    HB   THR  26           HB       THR  26   4.911  -2.821  -2.737
  223    HG1  THR  26           HG1      THR  26   7.007  -3.156  -3.935
  224   HG21  THR  26          HG21      THR  26   6.181  -0.084  -2.554
  225   HG22  THR  26          HG22      THR  26   4.711  -0.618  -1.735
  226   HG23  THR  26          HG23      THR  26   4.739  -0.476  -3.493
  227    H    HIS  27           HN       HIS  27   6.182  -0.983   0.364
  228    HA   HIS  27           HA       HIS  27   8.292   0.900  -0.234
  229    HB2  HIS  27           HB2      HIS  27   6.332   0.781   2.064
  230    HB3  HIS  27           HB1      HIS  27   7.503   2.069   1.830
  231    HD1  HIS  27           HD1      HIS  27   7.091   3.584  -0.433
  232    HD2  HIS  27           HD2      HIS  27   3.970   1.141   0.872
  233    HE1  HIS  27           HE1      HIS  27   4.958   4.484  -1.508
  234    H    THR  28           HN       THR  28   7.539  -1.524   2.199
  235    HA   THR  28           HA       THR  28  10.003  -1.090   3.639
  236    HB   THR  28           HB       THR  28   9.260  -3.140   4.925
  237    HG1  THR  28           HG1      THR  28   7.827  -4.267   3.819
  238   HG21  THR  28          HG21      THR  28   7.329  -0.819   4.739
  239   HG22  THR  28          HG22      THR  28   8.767  -0.903   5.755
  240   HG23  THR  28          HG23      THR  28   7.404  -1.977   6.067
  241    H    GLY  29           HN       GLY  29   9.755  -2.100   0.734
  242    HA2  GLY  29           HA2      GLY  29  11.444  -4.506   1.042
  243    HA3  GLY  29           HA1      GLY  29  10.441  -4.172  -0.365
  244    H    GLU  30           HN       GLU  30  12.039  -1.485   0.974
  245    HA   GLU  30           HA       GLU  30  13.742  -0.158   0.337
  246    HB2  GLU  30           HB2      GLU  30  14.913  -2.788  -0.543
  247    HB3  GLU  30           HB1      GLU  30  15.801  -1.270  -0.584
  248    HG2  GLU  30           HG2      GLU  30  14.594  -2.503   1.882
  249    HG3  GLU  30           HG1      GLU  30  16.291  -2.609   1.413
  250    H    LYS  31           HN       LYS  31  12.835   1.147  -1.117
  251    HA   LYS  31           HA       LYS  31  12.589   0.287  -3.898
  252    HB2  LYS  31           HB2      LYS  31  11.639   2.787  -2.486
  253    HB3  LYS  31           HB1      LYS  31  11.352   2.429  -4.182
  254    HG2  LYS  31           HG2      LYS  31  10.000   0.536  -3.616
  255    HG3  LYS  31           HG1      LYS  31  10.412   0.695  -1.910
  256    HD2  LYS  31           HD2      LYS  31   8.182   1.572  -2.356
  257    HD3  LYS  31           HD1      LYS  31   9.270   2.858  -1.833
  258    HE2  LYS  31           HE2      LYS  31   7.874   3.599  -3.689
  259    HE3  LYS  31           HE1      LYS  31   9.571   3.552  -4.156
  260    HZ1  LYS  31           HZ1      LYS  31   8.118   2.632  -5.865
  261    HZ2  LYS  31           HZ2      LYS  31   7.573   1.448  -4.789
  262    HZ3  LYS  31           HZ3      LYS  31   9.188   1.465  -5.277
  263    HN1  NH2  32           HN1      NH2  32  14.828   0.265  -4.342
  264    HN2  NH2  32           HN2      NH2  32  15.717   1.727  -4.593
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1 -12.879   5.058  -1.241
    2    H2   ARG   1           HT2      ARG   1 -13.412   5.059   0.364
    3    H3   ARG   1           HT3      ARG   1 -13.496   3.644  -0.553
    4    HA   ARG   1           HA       ARG   1 -11.099   3.551  -0.697
    5    HB2  ARG   1           HB2      ARG   1 -11.194   5.915   1.186
    6    HB3  ARG   1           HB1      ARG   1  -9.745   5.069   0.664
    7    HG2  ARG   1           HG2      ARG   1 -10.186   5.782  -1.646
    8    HG3  ARG   1           HG1      ARG   1 -11.597   6.677  -1.078
    9    HD2  ARG   1           HD2      ARG   1  -8.740   7.149  -0.229
   10    HD3  ARG   1           HD1      ARG   1  -9.662   8.149  -1.348
   11    HE   ARG   1           HE       ARG   1 -11.125   8.031   1.002
   12   HH11  ARG   1          HH11      ARG   1  -7.992   9.219  -0.019
   13   HH12  ARG   1          HH12      ARG   1  -7.930  10.462   1.188
   14   HH21  ARG   1          HH21      ARG   1 -11.044   9.657   2.582
   15   HH22  ARG   1          HH22      ARG   1  -9.673  10.717   2.665
   16    HA   PRO   2           HA       PRO   2 -12.744   1.353   3.055
   17    HB2  PRO   2           HB2      PRO   2 -11.561  -0.931   1.590
   18    HB3  PRO   2           HB1      PRO   2 -13.159  -0.779   2.331
   19    HG2  PRO   2           HG2      PRO   2 -12.872  -0.739  -0.321
   20    HG3  PRO   2           HG1      PRO   2 -14.055   0.304   0.488
   21    HD2  PRO   2           HD2      PRO   2 -11.345   1.003  -0.588
   22    HD3  PRO   2           HD1      PRO   2 -12.868   1.910  -0.699
   23    H    PHE   3           HN       PHE   3  -9.734   0.951   1.249
   24    HA   PHE   3           HA       PHE   3  -8.253   1.167   3.770
   25    HB2  PHE   3           HB2      PHE   3  -7.621  -0.822   1.569
   26    HB3  PHE   3           HB1      PHE   3  -6.650  -0.545   3.007
   27    HD1  PHE   3           HD1      PHE   3  -9.541  -2.201   1.625
   28    HD2  PHE   3           HD2      PHE   3  -7.543  -1.161   5.233
   29    HE1  PHE   3           HE1      PHE   3 -10.879  -3.869   2.839
   30    HE2  PHE   3           HE2      PHE   3  -8.874  -2.829   6.456
   31    HZ   PHE   3           HZ       PHE   3 -10.547  -4.188   5.259
   32    H    NLE   4           HN       NLE   4  -6.139   2.113   3.499
   33    HA   NLE   4           HA       NLE   4  -5.478   3.135   0.862
   34    HB2  NLE   4           HB1      NLE   4  -5.808   5.076   3.144
   35    HB3  NLE   4           HB2      NLE   4  -7.093   4.759   1.990
   36    HG2  NLE   4           HG1      NLE   4  -5.736   5.572   0.178
   37    HG3  NLE   4           HG2      NLE   4  -4.352   5.764   1.254
   38    HD2  NLE   4           HD1      NLE   4  -6.966   7.228   1.595
   39    HD3  NLE   4           HD2      NLE   4  -5.558   7.891   0.756
   40    HE1  NLE   4           HE1      NLE   4  -5.633   6.994   3.636
   41    HE2  NLE   4           HE2      NLE   4  -5.647   8.665   3.071
   42    HE3  NLE   4           HE3      NLE   4  -4.229   7.654   2.796
   43    H    CYS   5           HN       CYS   5  -3.360   3.559   0.607
   44    HA   CYS   5           HA       CYS   5  -1.509   2.778   2.661
   45    HB2  CYS   5           HB2      CYS   5  -0.920   2.208   0.415
   46    HB3  CYS   5           HB1      CYS   5  -1.183   3.857  -0.140
   47    H    THR   6           HN       THR   6  -0.737   4.096   4.191
   48    HA   THR   6           HA       THR   6  -1.229   6.949   3.947
   49    HB   THR   6           HB       THR   6  -0.408   6.961   6.361
   50    HG1  THR   6           HG1      THR   6   0.493   5.146   6.957
   51   HG21  THR   6          HG21      THR   6  -2.515   6.009   7.216
   52   HG22  THR   6          HG22      THR   6  -2.811   5.276   5.639
   53   HG23  THR   6          HG23      THR   6  -2.778   7.032   5.804
   54    H    TRP   7           HN       TRP   7   0.979   5.499   2.467
   55    HA   TRP   7           HA       TRP   7   3.362   6.695   3.587
   56    HB2  TRP   7           HB2      TRP   7   3.238   4.500   2.226
   57    HB3  TRP   7           HB1      TRP   7   3.144   5.548   0.815
   58    HD1  TRP   7           HD1      TRP   7   5.338   7.020   0.236
   59    HE1  TRP   7           HE1      TRP   7   7.817   6.668   0.843
   60    HE3  TRP   7           HE3      TRP   7   4.763   3.647   4.025
   61    HZ2  TRP   7           HZ2      TRP   7   9.325   5.147   2.690
   62    HZ3  TRP   7           HZ3      TRP   7   6.772   2.791   5.160
   63    HH2  TRP   7           HH2      TRP   7   9.001   3.524   4.504
   64    H    SER   8           HN       SER   8   4.248   8.571   3.017
   65    HA   SER   8           HA       SER   8   2.657  10.573   1.885
   66    HB2  SER   8           HB2      SER   8   4.525  10.908   3.531
   67    HB3  SER   8           HB1      SER   8   5.664  10.632   2.214
   68    HG   SER   8           HG       SER   8   3.644  12.609   2.066
   69    H    TYR   9           HN       TYR   9   2.532  11.460  -0.078
   70    HA   TYR   9           HA       TYR   9   2.662  11.733  -2.311
   71    HB2  TYR   9           HB2      TYR   9   5.453  10.647  -1.939
   72    HB3  TYR   9           HB1      TYR   9   4.840  11.305  -3.453
   73    HD1  TYR   9           HD1      TYR   9   6.395  12.054  -0.343
   74    HD2  TYR   9           HD2      TYR   9   3.979  13.735  -3.413
   75    HE1  TYR   9           HE1      TYR   9   7.049  14.306   0.386
   76    HE2  TYR   9           HE2      TYR   9   4.627  15.991  -2.694
   77    HH   TYR   9           HH       TYR   9   5.474  17.126  -0.729
   78    H    CYS  10           HN       CYS  10   2.046   9.038  -0.938
   79    HA   CYS  10           HA       CYS  10   1.854   7.592  -3.490
   80    HB2  CYS  10           HB2      CYS  10   3.312   6.479  -1.775
   81    HB3  CYS  10           HB1      CYS  10   1.904   6.356  -0.731
   82    H    GLY  11           HN       GLY  11   0.274   7.273  -0.298
   83    HA2  GLY  11           HA2      GLY  11  -1.949   7.108   0.265
   84    HA3  GLY  11           HA1      GLY  11  -2.145   8.464  -0.831
   85    H    LYS  12           HN       LYS  12  -1.196   5.163  -1.699
   86    HA   LYS  12           HA       LYS  12  -3.115   5.094  -3.792
   87    HB2  LYS  12           HB2      LYS  12  -0.903   3.933  -3.851
   88    HB3  LYS  12           HB1      LYS  12  -1.517   2.791  -2.664
   89    HG2  LYS  12           HG2      LYS  12  -3.091   1.911  -4.175
   90    HG3  LYS  12           HG1      LYS  12  -2.847   3.236  -5.314
   91    HD2  LYS  12           HD2      LYS  12  -0.570   2.469  -5.736
   92    HD3  LYS  12           HD1      LYS  12  -0.786   1.162  -4.573
   93    HE2  LYS  12           HE2      LYS  12  -2.581   0.230  -5.950
   94    HE3  LYS  12           HE1      LYS  12  -2.376   1.539  -7.110
   95    HZ1  LYS  12           HZ1      LYS  12  -0.288  -0.452  -6.414
   96    HZ2  LYS  12           HZ2      LYS  12  -0.164   0.756  -7.585
   97    HZ3  LYS  12           HZ3      LYS  12  -1.261  -0.509  -7.793
   98    H    ARG  13           HN       ARG  13  -5.017   3.944  -3.961
   99    HA   ARG  13           HA       ARG  13  -6.296   3.450  -1.369
  100    HB2  ARG  13           HB2      ARG  13  -7.578   3.833  -4.080
  101    HB3  ARG  13           HB1      ARG  13  -8.387   3.850  -2.520
  102    HG2  ARG  13           HG2      ARG  13  -7.450   5.915  -1.931
  103    HG3  ARG  13           HG1      ARG  13  -6.247   5.832  -3.220
  104    HD2  ARG  13           HD2      ARG  13  -8.099   5.951  -4.872
  105    HD3  ARG  13           HD1      ARG  13  -9.225   6.182  -3.535
  106    HE   ARG  13           HE       ARG  13  -7.764   8.217  -3.026
  107   HH11  ARG  13          HH11      ARG  13  -8.290   6.973  -6.258
  108   HH12  ARG  13          HH12      ARG  13  -8.109   8.520  -7.016
  109   HH21  ARG  13          HH21      ARG  13  -7.528  10.258  -4.030
  110   HH22  ARG  13          HH22      ARG  13  -7.671  10.386  -5.753
  111    H    PHE  14           HN       PHE  14  -7.416   1.562  -0.913
  112    HA   PHE  14           HA       PHE  14  -7.422  -0.566  -2.930
  113    HB2  PHE  14           HB2      PHE  14  -6.402  -0.948  -0.101
  114    HB3  PHE  14           HB1      PHE  14  -6.538  -2.193  -1.337
  115    HD1  PHE  14           HD1      PHE  14  -4.534   0.437   0.028
  116    HD2  PHE  14           HD2      PHE  14  -5.105  -2.052  -3.365
  117    HE1  PHE  14           HE1      PHE  14  -2.247   0.933  -0.713
  118    HE2  PHE  14           HE2      PHE  14  -2.815  -1.562  -4.112
  119    HZ   PHE  14           HZ       PHE  14  -1.408  -0.032  -2.817
  120    H    THR  15           HN       THR  15  -8.919  -2.267  -2.473
  121    HA   THR  15           HA       THR  15 -10.983  -1.524  -0.515
  122    HB   THR  15           HB       THR  15 -11.812  -1.533  -2.823
  123    HG1  THR  15           HG1      THR  15 -12.757  -3.278  -0.868
  124   HG21  THR  15          HG21      THR  15 -11.947  -3.617  -4.101
  125   HG22  THR  15          HG22      THR  15 -11.040  -4.451  -2.839
  126   HG23  THR  15          HG23      THR  15 -10.272  -3.172  -3.778
  127    H    ARG  16           HN       ARG  16  -8.435  -3.529  -0.941
  128    HA   ARG  16           HA       ARG  16  -9.572  -5.510   0.914
  129    HB2  ARG  16           HB2      ARG  16  -7.601  -6.032  -1.322
  130    HB3  ARG  16           HB1      ARG  16  -8.053  -7.206  -0.095
  131    HG2  ARG  16           HG2      ARG  16 -10.389  -7.064  -0.881
  132    HG3  ARG  16           HG1      ARG  16  -9.853  -5.982  -2.167
  133    HD2  ARG  16           HD2      ARG  16  -8.914  -8.819  -1.744
  134    HD3  ARG  16           HD1      ARG  16 -10.082  -8.293  -2.954
  135    HE   ARG  16           HE       ARG  16  -7.773  -6.796  -3.339
  136   HH11  ARG  16          HH11      ARG  16  -8.765 -10.144  -3.521
  137   HH12  ARG  16          HH12      ARG  16  -7.599 -10.556  -4.738
  138   HH21  ARG  16          HH21      ARG  16  -6.218  -7.341  -4.942
  139   HH22  ARG  16          HH22      ARG  16  -6.161  -8.973  -5.538
  140    H    SER  17           HN       SER  17  -8.420  -5.918   2.693
  141    HA   SER  17           HA       SER  17  -6.384  -4.091   3.447
  142    HB2  SER  17           HB2      SER  17  -6.308  -5.589   5.520
  143    HB3  SER  17           HB1      SER  17  -7.857  -4.829   5.153
  144    HG   SER  17           HG       SER  17  -7.585  -7.296   5.592
  145    H    ASP  18           HN       ASP  18  -6.413  -7.465   2.444
  146    HA   ASP  18           HA       ASP  18  -3.691  -8.012   2.986
  147    HB2  ASP  18           HB2      ASP  18  -5.242  -9.830   2.595
  148    HB3  ASP  18           HB1      ASP  18  -5.586  -9.239   0.976
  149    H    GLU  19           HN       GLU  19  -5.383  -6.625   0.265
  150    HA   GLU  19           HA       GLU  19  -3.252  -6.540  -1.569
  151    HB2  GLU  19           HB2      GLU  19  -5.697  -6.109  -2.057
  152    HB3  GLU  19           HB1      GLU  19  -5.488  -4.523  -1.329
  153    HG2  GLU  19           HG2      GLU  19  -5.300  -4.161  -3.612
  154    HG3  GLU  19           HG1      GLU  19  -3.639  -4.164  -3.023
  155    H    LEU  20           HN       LEU  20  -4.458  -4.199   0.797
  156    HA   LEU  20           HA       LEU  20  -2.520  -2.221   0.393
  157    HB2  LEU  20           HB2      LEU  20  -4.483  -1.688   1.628
  158    HB3  LEU  20           HB1      LEU  20  -4.174  -2.959   2.794
  159    HG   LEU  20           HG       LEU  20  -2.200  -1.718   3.607
  160   HD11  LEU  20          HD11      LEU  20  -1.686  -0.521   1.526
  161   HD12  LEU  20          HD12      LEU  20  -1.814   0.566   2.908
  162   HD13  LEU  20          HD13      LEU  20  -3.136   0.460   1.747
  163   HD21  LEU  20          HD21      LEU  20  -4.366  -1.434   4.692
  164   HD22  LEU  20          HD22      LEU  20  -4.749  -0.115   3.587
  165   HD23  LEU  20          HD23      LEU  20  -3.425   0.056   4.737
  166    H    GLN  21           HN       GLN  21  -2.548  -5.007   2.607
  167    HA   GLN  21           HA       GLN  21  -0.133  -4.456   3.914
  168    HB2  GLN  21           HB2      GLN  21  -1.473  -7.086   3.293
  169    HB3  GLN  21           HB1      GLN  21  -0.032  -6.956   4.290
  170    HG2  GLN  21           HG2      GLN  21  -1.250  -5.555   5.871
  171    HG3  GLN  21           HG1      GLN  21  -2.697  -5.684   4.870
  172   HE21  GLN  21          HE21      GLN  21  -2.244  -6.500   7.632
  173   HE22  GLN  21          HE22      GLN  21  -2.615  -8.188   7.694
  174    H    ARG  22           HN       ARG  22  -0.736  -6.465   1.045
  175    HA   ARG  22           HA       ARG  22   1.910  -7.154   0.493
  176    HB2  ARG  22           HB2      ARG  22   0.114  -8.230  -0.689
  177    HB3  ARG  22           HB1      ARG  22  -0.434  -6.700  -1.360
  178    HG2  ARG  22           HG2      ARG  22   1.612  -6.531  -2.671
  179    HG3  ARG  22           HG1      ARG  22   2.184  -8.053  -1.987
  180    HD2  ARG  22           HD2      ARG  22   0.306  -9.229  -2.987
  181    HD3  ARG  22           HD1      ARG  22  -0.326  -7.713  -3.625
  182    HE   ARG  22           HE       ARG  22   2.202  -7.872  -4.640
  183   HH11  ARG  22          HH11      ARG  22  -0.602  -9.964  -4.703
  184   HH12  ARG  22          HH12      ARG  22  -0.217 -10.651  -6.248
  185   HH21  ARG  22          HH21      ARG  22   2.721  -8.771  -6.671
  186   HH22  ARG  22          HH22      ARG  22   1.685  -9.976  -7.368
  187    H    HIS  23           HN       HIS  23  -0.005  -4.387  -0.579
  188    HA   HIS  23           HA       HIS  23   1.944  -3.175  -2.169
  189    HB2  HIS  23           HB2      HIS  23  -0.320  -2.435  -2.352
  190    HB3  HIS  23           HB1      HIS  23  -0.387  -2.015  -0.642
  191    HD1  HIS  23           HD1      HIS  23   0.752  -0.680  -3.966
  192    HD2  HIS  23           HD2      HIS  23   0.890   0.345   0.075
  193    HE1  HIS  23           HE1      HIS  23   1.638   1.710  -3.846
  194    H    LYS  24           HN       LYS  24   1.265  -2.790   1.304
  195    HA   LYS  24           HA       LYS  24   3.126  -0.752   1.793
  196    HB2  LYS  24           HB2      LYS  24   2.157  -2.959   3.604
  197    HB3  LYS  24           HB1      LYS  24   3.155  -1.619   4.149
  198    HG2  LYS  24           HG2      LYS  24   1.342  -0.085   3.286
  199    HG3  LYS  24           HG1      LYS  24   0.342  -1.526   3.100
  200    HD2  LYS  24           HD2      LYS  24   1.606  -0.585   5.673
  201    HD3  LYS  24           HD1      LYS  24  -0.085  -0.368   5.221
  202    HE2  LYS  24           HE2      LYS  24  -0.395  -2.788   5.168
  203    HE3  LYS  24           HE1      LYS  24   1.305  -3.027   5.571
  204    HZ1  LYS  24           HZ1      LYS  24  -0.091  -3.246   7.523
  205    HZ2  LYS  24           HZ2      LYS  24  -0.713  -1.693   7.291
  206    HZ3  LYS  24           HZ3      LYS  24   0.917  -1.897   7.680
  207    H    ARG  25           HN       ARG  25   3.496  -4.220   1.492
  208    HA   ARG  25           HA       ARG  25   6.159  -4.340   2.469
  209    HB2  ARG  25           HB2      ARG  25   4.603  -6.207   0.681
  210    HB3  ARG  25           HB1      ARG  25   6.203  -6.567   1.323
  211    HG2  ARG  25           HG2      ARG  25   5.360  -6.458   3.583
  212    HG3  ARG  25           HG1      ARG  25   3.767  -5.986   2.990
  213    HD2  ARG  25           HD2      ARG  25   3.768  -8.333   3.547
  214    HD3  ARG  25           HD1      ARG  25   3.600  -8.136   1.806
  215    HE   ARG  25           HE       ARG  25   6.248  -8.479   2.078
  216   HH11  ARG  25          HH11      ARG  25   3.516 -10.247   3.359
  217   HH12  ARG  25          HH12      ARG  25   4.353 -11.766   3.398
  218   HH21  ARG  25          HH21      ARG  25   6.526 -11.908   2.690
  219   HH22  ARG  25          HH22      ARG  25   7.349 -10.493   2.109
  220    H    THR  26           HN       THR  26   4.916  -2.957  -0.296
  221    HA   THR  26           HA       THR  26   7.219  -3.336  -1.978
  222    HB   THR  26           HB       THR  26   5.010  -1.269  -2.146
  223    HG1  THR  26           HG1      THR  26   5.002  -3.901  -2.617
  224   HG21  THR  26          HG21      THR  26   7.005  -0.599  -3.397
  225   HG22  THR  26          HG22      THR  26   5.687  -1.031  -4.489
  226   HG23  THR  26          HG23      THR  26   7.017  -2.158  -4.222
  227    H    HIS  27           HN       HIS  27   6.076  -0.953   0.365
  228    HA   HIS  27           HA       HIS  27   8.270   0.858  -0.165
  229    HB2  HIS  27           HB2      HIS  27   6.231   0.856   2.072
  230    HB3  HIS  27           HB1      HIS  27   7.416   2.121   1.795
  231    HD1  HIS  27           HD1      HIS  27   7.067   3.416  -0.670
  232    HD2  HIS  27           HD2      HIS  27   3.870   1.285   0.950
  233    HE1  HIS  27           HE1      HIS  27   4.950   4.324  -1.765
  234    H    THR  28           HN       THR  28   7.279  -1.362   2.407
  235    HA   THR  28           HA       THR  28   9.558  -0.731   4.039
  236    HB   THR  28           HB       THR  28   8.658  -2.583   5.490
  237    HG1  THR  28           HG1      THR  28   6.751  -3.561   4.904
  238   HG21  THR  28          HG21      THR  28   6.700  -0.424   4.684
  239   HG22  THR  28          HG22      THR  28   7.999  -0.255   5.863
  240   HG23  THR  28          HG23      THR  28   6.652  -1.346   6.186
  241    H    GLY  29           HN       GLY  29   8.434  -3.641   2.326
  242    HA2  GLY  29           HA2      GLY  29  10.253  -4.732   0.969
  243    HA3  GLY  29           HA1      GLY  29  11.201  -4.662   2.448
  244    H    GLU  30           HN       GLU  30  11.107  -6.341   3.796
  245    HA   GLU  30           HA       GLU  30   9.390  -8.559   3.093
  246    HB2  GLU  30           HB2      GLU  30  11.405  -8.350   5.333
  247    HB3  GLU  30           HB1      GLU  30  10.659  -9.825   4.736
  248    HG2  GLU  30           HG2      GLU  30  12.571  -8.042   3.252
  249    HG3  GLU  30           HG1      GLU  30  12.903  -9.646   3.897
  250    H    LYS  31           HN       LYS  31   9.550  -6.067   5.488
  251    HA   LYS  31           HA       LYS  31   7.033  -7.027   6.628
  252    HB2  LYS  31           HB2      LYS  31   8.785  -7.848   8.134
  253    HB3  LYS  31           HB1      LYS  31   9.453  -6.229   8.260
  254    HG2  LYS  31           HG2      LYS  31   8.170  -6.752  10.233
  255    HG3  LYS  31           HG1      LYS  31   7.380  -5.464   9.324
  256    HD2  LYS  31           HD2      LYS  31   5.727  -7.049  10.103
  257    HD3  LYS  31           HD1      LYS  31   5.850  -7.139   8.347
  258    HE2  LYS  31           HE2      LYS  31   7.247  -9.121   8.527
  259    HE3  LYS  31           HE1      LYS  31   7.205  -9.010  10.284
  260    HZ1  LYS  31           HZ1      LYS  31   5.648 -10.650   9.421
  261    HZ2  LYS  31           HZ2      LYS  31   4.840  -9.448   8.549
  262    HZ3  LYS  31           HZ3      LYS  31   4.843  -9.410  10.238
  263    HN1  NH2  32           HN1      NH2  32   9.303  -4.473   7.515
  264    HN2  NH2  32           HN2      NH2  32   8.222  -3.154   7.234
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1 -13.366   5.682   1.734
    2    H2   ARG   1           HT2      ARG   1 -13.753   4.495   0.597
    3    H3   ARG   1           HT3      ARG   1 -13.132   5.979   0.087
    4    HA   ARG   1           HA       ARG   1 -11.448   4.267  -0.021
    5    HB2  ARG   1           HB2      ARG   1 -11.016   6.307   2.172
    6    HB3  ARG   1           HB1      ARG   1  -9.736   5.382   1.401
    7    HG2  ARG   1           HG2      ARG   1 -10.222   6.431  -0.730
    8    HG3  ARG   1           HG1      ARG   1 -11.569   7.312  -0.008
    9    HD2  ARG   1           HD2      ARG   1 -10.037   8.488   1.469
   10    HD3  ARG   1           HD1      ARG   1  -8.680   7.569   0.820
   11    HE   ARG   1           HE       ARG   1  -9.980   8.862  -1.302
   12   HH11  ARG   1          HH11      ARG   1  -8.038   9.635   1.506
   13   HH12  ARG   1          HH12      ARG   1  -7.369  11.072   0.806
   14   HH21  ARG   1          HH21      ARG   1  -9.101  10.750  -2.229
   15   HH22  ARG   1          HH22      ARG   1  -7.979  11.710  -1.318
   16    HA   PRO   2           HA       PRO   2 -12.524   1.381   3.359
   17    HB2  PRO   2           HB2      PRO   2 -11.310  -0.565   1.514
   18    HB3  PRO   2           HB1      PRO   2 -12.920  -0.565   2.243
   19    HG2  PRO   2           HG2      PRO   2 -12.560  -0.070  -0.369
   20    HG3  PRO   2           HG1      PRO   2 -13.823   0.746   0.572
   21    HD2  PRO   2           HD2      PRO   2 -11.138   1.771  -0.280
   22    HD3  PRO   2           HD1      PRO   2 -12.710   2.598  -0.277
   23    H    PHE   3           HN       PHE   3  -9.606   1.118   1.349
   24    HA   PHE   3           HA       PHE   3  -7.996   1.063   3.806
   25    HB2  PHE   3           HB2      PHE   3  -7.623  -0.683   1.359
   26    HB3  PHE   3           HB1      PHE   3  -6.491  -0.582   2.695
   27    HD1  PHE   3           HD1      PHE   3  -9.494  -2.077   1.451
   28    HD2  PHE   3           HD2      PHE   3  -7.243  -1.325   4.978
   29    HE1  PHE   3           HE1      PHE   3 -10.762  -3.825   2.625
   30    HE2  PHE   3           HE2      PHE   3  -8.501  -3.071   6.160
   31    HZ   PHE   3           HZ       PHE   3 -10.270  -4.324   4.986
   32    H    NLE   4           HN       NLE   4  -5.888   1.972   3.570
   33    HA   NLE   4           HA       NLE   4  -5.081   3.157   1.082
   34    HB2  NLE   4           HB1      NLE   4  -5.801   4.997   3.370
   35    HB3  NLE   4           HB2      NLE   4  -6.825   4.739   1.967
   36    HG2  NLE   4           HG1      NLE   4  -5.056   5.625   0.520
   37    HG3  NLE   4           HG2      NLE   4  -4.056   5.919   1.944
   38    HD2  NLE   4           HD1      NLE   4  -5.714   7.472   2.822
   39    HD3  NLE   4           HD2      NLE   4  -6.774   7.140   1.444
   40    HE1  NLE   4           HE1      NLE   4  -5.547   9.227   1.122
   41    HE2  NLE   4           HE2      NLE   4  -5.067   8.022  -0.073
   42    HE3  NLE   4           HE3      NLE   4  -4.021   8.366   1.304
   43    H    CYS   5           HN       CYS   5  -2.908   3.324   1.051
   44    HA   CYS   5           HA       CYS   5  -1.466   2.300   3.294
   45    HB2  CYS   5           HB2      CYS   5   0.503   2.437   1.917
   46    HB3  CYS   5           HB1      CYS   5  -0.828   1.872   0.915
   47    H    THR   6           HN       THR   6  -2.325   5.401   2.228
   48    HA   THR   6           HA       THR   6  -1.920   7.516   2.902
   49    HB   THR   6           HB       THR   6  -1.704   7.847   5.374
   50    HG1  THR   6           HG1      THR   6  -0.791   5.366   5.316
   51   HG21  THR   6          HG21      THR   6  -3.817   5.888   4.480
   52   HG22  THR   6          HG22      THR   6  -3.891   7.641   4.312
   53   HG23  THR   6          HG23      THR   6  -3.899   6.910   5.916
   54    H    TRP   7           HN       TRP   7   0.455   6.005   1.974
   55    HA   TRP   7           HA       TRP   7   2.628   7.116   3.545
   56    HB2  TRP   7           HB2      TRP   7   2.590   4.813   2.377
   57    HB3  TRP   7           HB1      TRP   7   2.903   5.714   0.899
   58    HD1  TRP   7           HD1      TRP   7   5.304   6.975   0.727
   59    HE1  TRP   7           HE1      TRP   7   7.556   6.451   1.868
   60    HE3  TRP   7           HE3      TRP   7   3.615   3.967   4.494
   61    HZ2  TRP   7           HZ2      TRP   7   8.481   4.952   4.075
   62    HZ3  TRP   7           HZ3      TRP   7   5.249   3.027   6.078
   63    HH2  TRP   7           HH2      TRP   7   7.629   3.511   5.871
   64    H    SER   8           HN       SER   8   3.964   8.748   2.907
   65    HA   SER   8           HA       SER   8   2.870  10.845   1.448
   66    HB2  SER   8           HB2      SER   8   5.793  10.350   2.047
   67    HB3  SER   8           HB1      SER   8   5.049  11.907   1.681
   68    HG   SER   8           HG       SER   8   5.169  10.558   4.036
   69    H    TYR   9           HN       TYR   9   2.978  11.509  -0.609
   70    HA   TYR   9           HA       TYR   9   3.400  11.601  -2.829
   71    HB2  TYR   9           HB2      TYR   9   5.833   9.964  -2.123
   72    HB3  TYR   9           HB1      TYR   9   5.514  10.623  -3.722
   73    HD1  TYR   9           HD1      TYR   9   6.761  11.299  -0.410
   74    HD2  TYR   9           HD2      TYR   9   5.433  13.117  -4.019
   75    HE1  TYR   9           HE1      TYR   9   7.845  13.401   0.255
   76    HE2  TYR   9           HE2      TYR   9   6.516  15.223  -3.364
   77    HH   TYR   9           HH       TYR   9   7.267  16.356  -1.341
   78    H    CYS  10           HN       CYS  10   2.217   9.083  -1.320
   79    HA   CYS  10           HA       CYS  10   1.785   7.650  -3.844
   80    HB2  CYS  10           HB2      CYS  10   3.359   6.405  -2.373
   81    HB3  CYS  10           HB1      CYS  10   2.109   6.346  -1.142
   82    H    GLY  11           HN       GLY  11   0.560   7.433  -0.490
   83    HA2  GLY  11           HA2      GLY  11  -1.584   7.256   0.321
   84    HA3  GLY  11           HA1      GLY  11  -1.887   8.621  -0.742
   85    H    LYS  12           HN       LYS  12  -1.318   5.129  -1.252
   86    HA   LYS  12           HA       LYS  12  -3.293   5.201  -3.374
   87    HB2  LYS  12           HB2      LYS  12  -1.043   4.087  -3.618
   88    HB3  LYS  12           HB1      LYS  12  -1.611   2.856  -2.499
   89    HG2  LYS  12           HG2      LYS  12  -3.251   2.095  -4.020
   90    HG3  LYS  12           HG1      LYS  12  -3.046   3.509  -5.059
   91    HD2  LYS  12           HD2      LYS  12  -0.771   2.782  -5.592
   92    HD3  LYS  12           HD1      LYS  12  -0.978   1.369  -4.558
   93    HE2  LYS  12           HE2      LYS  12  -1.295   0.779  -6.902
   94    HE3  LYS  12           HE1      LYS  12  -2.793   0.580  -5.996
   95    HZ1  LYS  12           HZ1      LYS  12  -2.132   2.929  -7.689
   96    HZ2  LYS  12           HZ2      LYS  12  -3.594   2.656  -6.881
   97    HZ3  LYS  12           HZ3      LYS  12  -3.130   1.647  -8.154
   98    H    ARG  13           HN       ARG  13  -5.230   4.246  -3.339
   99    HA   ARG  13           HA       ARG  13  -6.161   3.262  -0.737
  100    HB2  ARG  13           HB2      ARG  13  -8.409   3.811  -1.530
  101    HB3  ARG  13           HB1      ARG  13  -7.343   5.202  -1.677
  102    HG2  ARG  13           HG2      ARG  13  -7.082   4.758  -4.064
  103    HG3  ARG  13           HG1      ARG  13  -8.134   3.351  -3.918
  104    HD2  ARG  13           HD2      ARG  13  -9.980   4.783  -3.248
  105    HD3  ARG  13           HD1      ARG  13  -8.929   6.196  -3.319
  106    HE   ARG  13           HE       ARG  13  -9.067   4.712  -5.780
  107   HH11  ARG  13          HH11      ARG  13 -10.544   7.265  -3.885
  108   HH12  ARG  13          HH12      ARG  13 -11.270   8.030  -5.261
  109   HH21  ARG  13          HH21      ARG  13 -10.022   5.726  -7.587
  110   HH22  ARG  13          HH22      ARG  13 -10.972   7.159  -7.361
  111    H    PHE  14           HN       PHE  14  -7.342   1.375  -0.524
  112    HA   PHE  14           HA       PHE  14  -7.522  -0.397  -2.857
  113    HB2  PHE  14           HB2      PHE  14  -6.363  -1.181  -0.170
  114    HB3  PHE  14           HB1      PHE  14  -6.679  -2.285  -1.505
  115    HD1  PHE  14           HD1      PHE  14  -4.473   0.236  -0.156
  116    HD2  PHE  14           HD2      PHE  14  -5.351  -2.172  -3.546
  117    HE1  PHE  14           HE1      PHE  14  -2.226   0.677  -1.045
  118    HE2  PHE  14           HE2      PHE  14  -3.106  -1.736  -4.443
  119    HZ   PHE  14           HZ       PHE  14  -1.566  -0.263  -3.220
  120    H    THR  15           HN       THR  15  -8.938  -2.228  -2.501
  121    HA   THR  15           HA       THR  15 -11.100  -1.621  -0.606
  122    HB   THR  15           HB       THR  15 -12.411  -3.252  -2.064
  123    HG1  THR  15           HG1      THR  15 -11.371  -4.168  -3.654
  124   HG21  THR  15          HG21      THR  15 -12.782  -1.566  -3.861
  125   HG22  THR  15          HG22      THR  15 -11.387  -0.672  -3.255
  126   HG23  THR  15          HG23      THR  15 -12.814  -0.880  -2.238
  127    H    ARG  16           HN       ARG  16  -8.518  -3.688  -1.209
  128    HA   ARG  16           HA       ARG  16  -9.605  -5.763   0.580
  129    HB2  ARG  16           HB2      ARG  16  -7.592  -6.002  -1.662
  130    HB3  ARG  16           HB1      ARG  16  -7.932  -7.287  -0.517
  131    HG2  ARG  16           HG2      ARG  16 -10.252  -7.349  -1.278
  132    HG3  ARG  16           HG1      ARG  16  -9.897  -6.066  -2.439
  133    HD2  ARG  16           HD2      ARG  16  -9.859  -8.307  -3.471
  134    HD3  ARG  16           HD1      ARG  16  -8.302  -7.491  -3.574
  135    HE   ARG  16           HE       ARG  16  -8.866  -9.513  -1.505
  136   HH11  ARG  16          HH11      ARG  16  -6.853  -8.253  -4.084
  137   HH12  ARG  16          HH12      ARG  16  -5.587  -9.413  -3.834
  138   HH21  ARG  16          HH21      ARG  16  -7.193 -11.046  -1.187
  139   HH22  ARG  16          HH22      ARG  16  -5.777 -10.993  -2.188
  140    H    SER  17           HN       SER  17  -8.488  -6.296   2.345
  141    HA   SER  17           HA       SER  17  -6.521  -4.488   3.307
  142    HB2  SER  17           HB2      SER  17  -6.479  -6.137   5.263
  143    HB3  SER  17           HB1      SER  17  -8.030  -5.379   4.903
  144    HG   SER  17           HG       SER  17  -7.413  -7.979   4.942
  145    H    ASP  18           HN       ASP  18  -6.424  -7.806   2.096
  146    HA   ASP  18           HA       ASP  18  -3.703  -8.268   2.761
  147    HB2  ASP  18           HB2      ASP  18  -5.384  -9.587   0.619
  148    HB3  ASP  18           HB1      ASP  18  -3.839 -10.178   1.213
  149    H    GLU  19           HN       GLU  19  -5.352  -6.875   0.030
  150    HA   GLU  19           HA       GLU  19  -3.131  -6.713  -1.720
  151    HB2  GLU  19           HB2      GLU  19  -5.556  -6.439  -2.369
  152    HB3  GLU  19           HB1      GLU  19  -5.511  -4.852  -1.615
  153    HG2  GLU  19           HG2      GLU  19  -5.235  -4.603  -3.970
  154    HG3  GLU  19           HG1      GLU  19  -3.720  -4.199  -3.167
  155    H    LEU  20           HN       LEU  20  -4.596  -4.446   0.588
  156    HA   LEU  20           HA       LEU  20  -2.784  -2.347   0.303
  157    HB2  LEU  20           HB2      LEU  20  -4.762  -1.976   1.569
  158    HB3  LEU  20           HB1      LEU  20  -4.383  -3.285   2.673
  159    HG   LEU  20           HG       LEU  20  -2.383  -1.954   3.425
  160   HD11  LEU  20          HD11      LEU  20  -2.224  -0.521   1.447
  161   HD12  LEU  20          HD12      LEU  20  -2.330   0.413   2.940
  162   HD13  LEU  20          HD13      LEU  20  -3.743   0.254   1.899
  163   HD21  LEU  20          HD21      LEU  20  -3.635  -0.542   4.903
  164   HD22  LEU  20          HD22      LEU  20  -4.526  -2.048   4.672
  165   HD23  LEU  20          HD23      LEU  20  -5.028  -0.584   3.830
  166    H    GLN  21           HN       GLN  21  -2.674  -5.152   2.496
  167    HA   GLN  21           HA       GLN  21  -0.312  -4.446   3.822
  168    HB2  GLN  21           HB2      GLN  21  -1.502  -7.163   3.257
  169    HB3  GLN  21           HB1      GLN  21  -0.100  -6.916   4.291
  170    HG2  GLN  21           HG2      GLN  21  -2.845  -5.762   4.744
  171    HG3  GLN  21           HG1      GLN  21  -2.158  -7.153   5.578
  172   HE21  GLN  21          HE21      GLN  21   0.503  -5.958   5.752
  173   HE22  GLN  21          HE22      GLN  21   0.399  -4.737   6.973
  174    H    ARG  22           HN       ARG  22  -0.792  -6.441   0.929
  175    HA   ARG  22           HA       ARG  22   1.881  -7.101   0.457
  176    HB2  ARG  22           HB2      ARG  22  -0.105  -8.029  -0.751
  177    HB3  ARG  22           HB1      ARG  22  -0.227  -6.516  -1.633
  178    HG2  ARG  22           HG2      ARG  22   0.875  -8.110  -3.019
  179    HG3  ARG  22           HG1      ARG  22   2.065  -6.912  -2.506
  180    HD2  ARG  22           HD2      ARG  22   2.961  -9.193  -2.388
  181    HD3  ARG  22           HD1      ARG  22   2.890  -8.434  -0.799
  182    HE   ARG  22           HE       ARG  22   0.549  -9.781  -0.937
  183   HH11  ARG  22          HH11      ARG  22   3.879 -10.731  -1.458
  184   HH12  ARG  22          HH12      ARG  22   3.624 -12.367  -0.941
  185   HH21  ARG  22          HH21      ARG  22   0.210 -11.922  -0.249
  186   HH22  ARG  22          HH22      ARG  22   1.531 -13.050  -0.258
  187    H    HIS  23           HN       HIS  23  -0.037  -4.351  -0.630
  188    HA   HIS  23           HA       HIS  23   1.969  -3.049  -2.103
  189    HB2  HIS  23           HB2      HIS  23  -0.360  -2.472  -2.381
  190    HB3  HIS  23           HB1      HIS  23  -0.492  -1.995  -0.693
  191    HD1  HIS  23           HD1      HIS  23   0.625  -0.711  -4.044
  192    HD2  HIS  23           HD2      HIS  23   0.617   0.461  -0.044
  193    HE1  HIS  23           HE1      HIS  23   1.271   1.758  -4.005
  194    H    LYS  24           HN       LYS  24   0.998  -2.765   1.294
  195    HA   LYS  24           HA       LYS  24   2.655  -0.652   2.037
  196    HB2  LYS  24           HB2      LYS  24   1.632  -3.009   3.606
  197    HB3  LYS  24           HB1      LYS  24   2.552  -1.710   4.348
  198    HG2  LYS  24           HG2      LYS  24   0.856  -0.110   3.818
  199    HG3  LYS  24           HG1      LYS  24  -0.022  -1.293   2.848
  200    HD2  LYS  24           HD2      LYS  24  -1.101  -1.029   4.996
  201    HD3  LYS  24           HD1      LYS  24  -0.401  -2.642   4.872
  202    HE2  LYS  24           HE2      LYS  24   0.024  -1.733   7.069
  203    HE3  LYS  24           HE1      LYS  24   1.539  -1.873   6.182
  204    HZ1  LYS  24           HZ1      LYS  24  -0.028   0.632   6.481
  205    HZ2  LYS  24           HZ2      LYS  24   1.474   0.479   5.721
  206    HZ3  LYS  24           HZ3      LYS  24   1.341   0.230   7.386
  207    H    ARG  25           HN       ARG  25   3.380  -4.032   1.503
  208    HA   ARG  25           HA       ARG  25   5.847  -4.097   2.869
  209    HB2  ARG  25           HB2      ARG  25   4.862  -5.743   0.543
  210    HB3  ARG  25           HB1      ARG  25   6.350  -6.075   1.419
  211    HG2  ARG  25           HG2      ARG  25   5.016  -6.327   3.488
  212    HG3  ARG  25           HG1      ARG  25   3.554  -6.125   2.525
  213    HD2  ARG  25           HD2      ARG  25   4.278  -8.084   1.153
  214    HD3  ARG  25           HD1      ARG  25   5.601  -8.324   2.293
  215    HE   ARG  25           HE       ARG  25   3.189  -8.212   3.721
  216   HH11  ARG  25          HH11      ARG  25   4.947 -10.326   1.546
  217   HH12  ARG  25          HH12      ARG  25   4.131 -11.759   2.074
  218   HH21  ARG  25          HH21      ARG  25   2.522 -11.638   3.712
  219   HH22  ARG  25          HH22      ARG  25   2.113 -10.110   4.421
  220    H    THR  26           HN       THR  26   4.981  -2.582  -0.095
  221    HA   THR  26           HA       THR  26   7.713  -2.562  -1.071
  222    HB   THR  26           HB       THR  26   5.580  -2.538  -2.563
  223    HG1  THR  26           HG1      THR  26   6.815  -1.110  -4.078
  224   HG21  THR  26          HG21      THR  26   4.877  -0.284  -3.261
  225   HG22  THR  26          HG22      THR  26   5.872   0.416  -1.984
  226   HG23  THR  26          HG23      THR  26   4.486  -0.593  -1.570
  227    H    HIS  27           HN       HIS  27   5.745  -0.709   1.026
  228    HA   HIS  27           HA       HIS  27   7.450   1.641   0.834
  229    HB2  HIS  27           HB2      HIS  27   5.056   0.993   2.551
  230    HB3  HIS  27           HB1      HIS  27   6.019   2.447   2.776
  231    HD1  HIS  27           HD1      HIS  27   6.304   3.708   0.131
  232    HD2  HIS  27           HD2      HIS  27   2.864   1.606   1.190
  233    HE1  HIS  27           HE1      HIS  27   4.455   4.517  -1.418
  234    H    THR  28           HN       THR  28   6.418  -0.582   3.394
  235    HA   THR  28           HA       THR  28   8.790   0.079   4.945
  236    HB   THR  28           HB       THR  28   6.581  -1.828   5.719
  237    HG1  THR  28           HG1      THR  28   6.643   0.991   5.643
  238   HG21  THR  28          HG21      THR  28   7.205  -1.179   7.993
  239   HG22  THR  28          HG22      THR  28   8.431  -0.083   7.354
  240   HG23  THR  28          HG23      THR  28   8.599  -1.824   7.126
  241    H    GLY  29           HN       GLY  29  10.109  -0.950   3.219
  242    HA2  GLY  29           HA2      GLY  29  10.563  -3.763   3.893
  243    HA3  GLY  29           HA1      GLY  29  10.235  -3.384   2.207
  244    H    GLU  30           HN       GLU  30  11.911  -1.101   4.168
  245    HA   GLU  30           HA       GLU  30  14.002  -0.241   4.126
  246    HB2  GLU  30           HB2      GLU  30  14.748  -3.106   3.533
  247    HB3  GLU  30           HB1      GLU  30  15.899  -1.841   3.948
  248    HG2  GLU  30           HG2      GLU  30  13.697  -2.929   5.686
  249    HG3  GLU  30           HG1      GLU  30  15.434  -3.147   5.899
  250    H    LYS  31           HN       LYS  31  12.601   0.237   1.857
  251    HA   LYS  31           HA       LYS  31  14.496  -0.189  -0.338
  252    HB2  LYS  31           HB2      LYS  31  11.643   0.808  -0.350
  253    HB3  LYS  31           HB1      LYS  31  12.664   0.733  -1.779
  254    HG2  LYS  31           HG2      LYS  31  12.894  -1.733  -1.362
  255    HG3  LYS  31           HG1      LYS  31  11.649  -1.561  -0.121
  256    HD2  LYS  31           HD2      LYS  31  10.092  -0.697  -1.786
  257    HD3  LYS  31           HD1      LYS  31  11.338  -0.819  -3.028
  258    HE2  LYS  31           HE2      LYS  31  11.438  -3.269  -2.590
  259    HE3  LYS  31           HE1      LYS  31  10.069  -3.081  -1.495
  260    HZ1  LYS  31           HZ1      LYS  31  10.083  -2.467  -4.400
  261    HZ2  LYS  31           HZ2      LYS  31   8.767  -2.217  -3.364
  262    HZ3  LYS  31           HZ3      LYS  31   9.325  -3.787  -3.664
  263    HN1  NH2  32           HN1      NH2  32  16.049   1.259   0.300
  264    HN2  NH2  32           HN2      NH2  32  15.822   2.973   0.236
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1 -13.741   5.165  -0.534
    2    H2   ARG   1           HT2      ARG   1 -13.491   5.396   1.122
    3    H3   ARG   1           HT3      ARG   1 -14.397   4.078   0.581
    4    HA   ARG   1           HA       ARG   1 -12.496   3.110  -0.463
    5    HB2  ARG   1           HB2      ARG   1 -10.254   4.107  -0.070
    6    HB3  ARG   1           HB1      ARG   1 -11.286   5.107  -1.081
    7    HG2  ARG   1           HG2      ARG   1 -11.785   6.527   0.853
    8    HG3  ARG   1           HG1      ARG   1 -10.720   5.531   1.844
    9    HD2  ARG   1           HD2      ARG   1  -8.847   6.108   0.321
   10    HD3  ARG   1           HD1      ARG   1  -9.933   7.191  -0.550
   11    HE   ARG   1           HE       ARG   1  -9.468   7.576   2.328
   12   HH11  ARG   1          HH11      ARG   1  -9.170   8.734  -0.965
   13   HH12  ARG   1          HH12      ARG   1  -8.766  10.352  -0.491
   14   HH21  ARG   1          HH21      ARG   1  -8.929   9.709   2.951
   15   HH22  ARG   1          HH22      ARG   1  -8.615  10.903   1.729
   16    HA   PRO   2           HA       PRO   2 -12.701   1.354   3.652
   17    HB2  PRO   2           HB2      PRO   2 -11.493  -0.993   2.366
   18    HB3  PRO   2           HB1      PRO   2 -13.046  -0.846   3.196
   19    HG2  PRO   2           HG2      PRO   2 -12.873  -1.141   0.526
   20    HG3  PRO   2           HG1      PRO   2 -14.151  -0.181   1.292
   21    HD2  PRO   2           HD2      PRO   2 -11.653   0.739  -0.075
   22    HD3  PRO   2           HD1      PRO   2 -13.289   1.426  -0.122
   23    H    PHE   3           HN       PHE   3  -9.891   0.842   1.530
   24    HA   PHE   3           HA       PHE   3  -8.170   1.134   3.895
   25    HB2  PHE   3           HB2      PHE   3  -7.698  -0.754   1.575
   26    HB3  PHE   3           HB1      PHE   3  -6.665  -0.562   2.984
   27    HD1  PHE   3           HD1      PHE   3  -9.582  -2.161   1.630
   28    HD2  PHE   3           HD2      PHE   3  -7.521  -1.229   5.229
   29    HE1  PHE   3           HE1      PHE   3 -10.841  -3.921   2.800
   30    HE2  PHE   3           HE2      PHE   3  -8.778  -2.982   6.410
   31    HZ   PHE   3           HZ       PHE   3 -10.534  -4.251   5.214
   32    H    NLE   4           HN       NLE   4  -6.240   2.246   3.591
   33    HA   NLE   4           HA       NLE   4  -5.585   3.235   0.943
   34    HB2  NLE   4           HB1      NLE   4  -6.256   5.100   3.227
   35    HB3  NLE   4           HB2      NLE   4  -7.202   4.883   1.763
   36    HG2  NLE   4           HG1      NLE   4  -5.414   5.807   0.423
   37    HG3  NLE   4           HG2      NLE   4  -4.380   5.936   1.847
   38    HD2  NLE   4           HD1      NLE   4  -5.973   7.520   2.849
   39    HD3  NLE   4           HD2      NLE   4  -6.982   7.406   1.400
   40    HE1  NLE   4           HE1      NLE   4  -4.131   8.392   1.501
   41    HE2  NLE   4           HE2      NLE   4  -5.573   9.397   1.329
   42    HE3  NLE   4           HE3      NLE   4  -5.128   8.266   0.050
   43    H    CYS   5           HN       CYS   5  -3.455   3.461   0.684
   44    HA   CYS   5           HA       CYS   5  -1.660   2.946   2.867
   45    HB2  CYS   5           HB2      CYS   5  -1.084   2.108   0.671
   46    HB3  CYS   5           HB1      CYS   5  -1.181   3.722  -0.015
   47    H    THR   6           HN       THR   6  -1.370   4.494   4.339
   48    HA   THR   6           HA       THR   6  -1.643   7.274   3.646
   49    HB   THR   6           HB       THR   6  -1.020   7.544   6.145
   50    HG1  THR   6           HG1      THR   6  -0.226   5.614   6.758
   51   HG21  THR   6          HG21      THR   6  -3.292   7.789   5.278
   52   HG22  THR   6          HG22      THR   6  -3.305   6.938   6.823
   53   HG23  THR   6          HG23      THR   6  -3.507   6.038   5.319
   54    H    TRP   7           HN       TRP   7   0.687   5.634   2.636
   55    HA   TRP   7           HA       TRP   7   2.989   6.934   3.782
   56    HB2  TRP   7           HB2      TRP   7   2.879   4.645   2.542
   57    HB3  TRP   7           HB1      TRP   7   2.920   5.618   1.078
   58    HD1  TRP   7           HD1      TRP   7   5.194   7.098   0.679
   59    HE1  TRP   7           HE1      TRP   7   7.618   6.635   1.425
   60    HE3  TRP   7           HE3      TRP   7   4.256   3.663   4.336
   61    HZ2  TRP   7           HZ2      TRP   7   8.947   5.011   3.329
   62    HZ3  TRP   7           HZ3      TRP   7   6.156   2.700   5.572
   63    HH2  TRP   7           HH2      TRP   7   8.448   3.360   5.078
   64    H    SER   8           HN       SER   8   3.537   8.979   3.349
   65    HA   SER   8           HA       SER   8   2.123  10.701   1.705
   66    HB2  SER   8           HB2      SER   8   5.010  10.957   2.572
   67    HB3  SER   8           HB1      SER   8   3.971  12.274   2.032
   68    HG   SER   8           HG       SER   8   2.714  12.025   3.843
   69    H    TYR   9           HN       TYR   9   2.451  11.577  -0.320
   70    HA   TYR   9           HA       TYR   9   3.112  11.740  -2.482
   71    HB2  TYR   9           HB2      TYR   9   5.417  11.832  -1.911
   72    HB3  TYR   9           HB1      TYR   9   5.465  10.118  -1.523
   73    HD1  TYR   9           HD1      TYR   9   6.358   8.667  -3.078
   74    HD2  TYR   9           HD2      TYR   9   4.765  12.378  -4.418
   75    HE1  TYR   9           HE1      TYR   9   7.115   8.161  -5.357
   76    HE2  TYR   9           HE2      TYR   9   5.522  11.880  -6.702
   77    HH   TYR   9           HH       TYR   9   7.124  10.511  -7.861
   78    H    CYS  10           HN       CYS  10   2.749   8.662  -0.958
   79    HA   CYS  10           HA       CYS  10   2.274   7.303  -3.471
   80    HB2  CYS  10           HB2      CYS  10   3.375   6.121  -1.610
   81    HB3  CYS  10           HB1      CYS  10   1.929   6.332  -0.632
   82    H    GLY  11           HN       GLY  11   0.286   7.377  -0.508
   83    HA2  GLY  11           HA2      GLY  11  -1.983   7.539  -0.208
   84    HA3  GLY  11           HA1      GLY  11  -1.918   8.742  -1.485
   85    H    LYS  12           HN       LYS  12  -1.319   5.246  -1.585
   86    HA   LYS  12           HA       LYS  12  -3.162   5.035  -3.821
   87    HB2  LYS  12           HB2      LYS  12  -0.852   3.981  -3.802
   88    HB3  LYS  12           HB1      LYS  12  -1.475   2.839  -2.620
   89    HG2  LYS  12           HG2      LYS  12  -2.969   1.892  -4.170
   90    HG3  LYS  12           HG1      LYS  12  -2.747   3.220  -5.310
   91    HD2  LYS  12           HD2      LYS  12  -0.359   2.528  -5.538
   92    HD3  LYS  12           HD1      LYS  12  -0.728   1.118  -4.547
   93    HE2  LYS  12           HE2      LYS  12  -2.102   1.795  -7.140
   94    HE3  LYS  12           HE1      LYS  12  -0.761   0.662  -6.990
   95    HZ1  LYS  12           HZ1      LYS  12  -2.934  -0.434  -7.024
   96    HZ2  LYS  12           HZ2      LYS  12  -3.379   0.386  -5.618
   97    HZ3  LYS  12           HZ3      LYS  12  -2.106  -0.727  -5.581
   98    H    ARG  13           HN       ARG  13  -5.153   4.187  -3.685
   99    HA   ARG  13           HA       ARG  13  -6.074   3.378  -1.024
  100    HB2  ARG  13           HB2      ARG  13  -8.354   3.696  -1.999
  101    HB3  ARG  13           HB1      ARG  13  -7.358   5.146  -2.017
  102    HG2  ARG  13           HG2      ARG  13  -6.902   4.863  -4.362
  103    HG3  ARG  13           HG1      ARG  13  -7.747   3.315  -4.374
  104    HD2  ARG  13           HD2      ARG  13  -9.034   5.955  -3.693
  105    HD3  ARG  13           HD1      ARG  13  -9.087   5.204  -5.288
  106    HE   ARG  13           HE       ARG  13 -10.001   3.303  -3.507
  107   HH11  ARG  13          HH11      ARG  13 -10.962   6.510  -4.508
  108   HH12  ARG  13          HH12      ARG  13 -12.652   6.219  -4.256
  109   HH21  ARG  13          HH21      ARG  13 -12.217   2.910  -3.160
  110   HH22  ARG  13          HH22      ARG  13 -13.368   4.168  -3.489
  111    H    PHE  14           HN       PHE  14  -7.334   1.498  -0.676
  112    HA   PHE  14           HA       PHE  14  -7.290  -0.506  -2.824
  113    HB2  PHE  14           HB2      PHE  14  -6.316  -0.975   0.006
  114    HB3  PHE  14           HB1      PHE  14  -6.507  -2.222  -1.227
  115    HD1  PHE  14           HD1      PHE  14  -4.443   0.449   0.035
  116    HD2  PHE  14           HD2      PHE  14  -5.067  -2.212  -3.217
  117    HE1  PHE  14           HE1      PHE  14  -2.154   0.871  -0.746
  118    HE2  PHE  14           HE2      PHE  14  -2.778  -1.787  -4.005
  119    HZ   PHE  14           HZ       PHE  14  -1.351  -0.185  -2.809
  120    H    THR  15           HN       THR  15  -8.764  -2.236  -2.533
  121    HA   THR  15           HA       THR  15 -11.105  -1.491  -0.940
  122    HB   THR  15           HB       THR  15 -12.258  -3.201  -2.394
  123    HG1  THR  15           HG1      THR  15 -10.969  -3.601  -4.405
  124   HG21  THR  15          HG21      THR  15 -10.895  -0.898  -3.792
  125   HG22  THR  15          HG22      THR  15 -12.410  -0.816  -2.895
  126   HG23  THR  15          HG23      THR  15 -12.316  -1.754  -4.385
  127    H    ARG  16           HN       ARG  16  -8.522  -3.680  -1.053
  128    HA   ARG  16           HA       ARG  16  -9.768  -5.297   1.056
  129    HB2  ARG  16           HB2      ARG  16  -8.473  -7.276   0.097
  130    HB3  ARG  16           HB1      ARG  16  -9.894  -6.758  -0.796
  131    HG2  ARG  16           HG2      ARG  16  -8.570  -5.680  -2.441
  132    HG3  ARG  16           HG1      ARG  16  -7.108  -5.894  -1.482
  133    HD2  ARG  16           HD2      ARG  16  -7.178  -7.501  -3.306
  134    HD3  ARG  16           HD1      ARG  16  -7.297  -8.326  -1.754
  135    HE   ARG  16           HE       ARG  16  -9.887  -7.958  -2.507
  136   HH11  ARG  16          HH11      ARG  16  -7.083  -9.403  -4.024
  137   HH12  ARG  16          HH12      ARG  16  -8.009 -10.563  -4.921
  138   HH21  ARG  16          HH21      ARG  16 -11.113  -9.490  -3.690
  139   HH22  ARG  16          HH22      ARG  16 -10.296 -10.618  -4.726
  140    H    SER  17           HN       SER  17  -8.448  -5.920   2.702
  141    HA   SER  17           HA       SER  17  -6.356  -4.079   3.237
  142    HB2  SER  17           HB2      SER  17  -6.179  -5.407   5.390
  143    HB3  SER  17           HB1      SER  17  -7.760  -4.712   5.041
  144    HG   SER  17           HG       SER  17  -6.936  -7.382   5.027
  145    H    ASP  18           HN       ASP  18  -6.413  -7.462   2.294
  146    HA   ASP  18           HA       ASP  18  -3.708  -8.018   2.934
  147    HB2  ASP  18           HB2      ASP  18  -5.394  -9.787   2.503
  148    HB3  ASP  18           HB1      ASP  18  -5.417  -9.326   0.806
  149    H    GLU  19           HN       GLU  19  -5.287  -6.517   0.233
  150    HA   GLU  19           HA       GLU  19  -3.039  -6.594  -1.522
  151    HB2  GLU  19           HB2      GLU  19  -5.471  -6.253  -2.183
  152    HB3  GLU  19           HB1      GLU  19  -5.295  -4.599  -1.614
  153    HG2  GLU  19           HG2      GLU  19  -5.002  -4.605  -3.963
  154    HG3  GLU  19           HG1      GLU  19  -3.427  -4.326  -3.225
  155    H    LEU  20           HN       LEU  20  -4.376  -4.255   0.762
  156    HA   LEU  20           HA       LEU  20  -2.468  -2.226   0.367
  157    HB2  LEU  20           HB2      LEU  20  -4.451  -1.687   1.562
  158    HB3  LEU  20           HB1      LEU  20  -4.186  -2.972   2.722
  159    HG   LEU  20           HG       LEU  20  -2.236  -1.754   3.613
  160   HD11  LEU  20          HD11      LEU  20  -1.825   0.547   2.953
  161   HD12  LEU  20          HD12      LEU  20  -3.086   0.435   1.726
  162   HD13  LEU  20          HD13      LEU  20  -1.625  -0.542   1.581
  163   HD21  LEU  20          HD21      LEU  20  -4.756  -0.107   3.526
  164   HD22  LEU  20          HD22      LEU  20  -3.482  -0.002   4.739
  165   HD23  LEU  20          HD23      LEU  20  -4.458  -1.466   4.607
  166    H    GLN  21           HN       GLN  21  -2.552  -4.968   2.621
  167    HA   GLN  21           HA       GLN  21  -0.113  -4.409   3.912
  168    HB2  GLN  21           HB2      GLN  21  -1.763  -5.981   4.812
  169    HB3  GLN  21           HB1      GLN  21  -1.481  -7.070   3.460
  170    HG2  GLN  21           HG2      GLN  21  -0.346  -7.797   5.503
  171    HG3  GLN  21           HG1      GLN  21   0.784  -7.458   4.194
  172   HE21  GLN  21          HE21      GLN  21   2.491  -7.140   5.611
  173   HE22  GLN  21          HE22      GLN  21   2.623  -5.729   6.598
  174    H    ARG  22           HN       ARG  22  -0.866  -6.526   1.179
  175    HA   ARG  22           HA       ARG  22   1.700  -7.393   0.532
  176    HB2  ARG  22           HB2      ARG  22  -0.270  -8.326  -0.512
  177    HB3  ARG  22           HB1      ARG  22  -0.697  -6.772  -1.204
  178    HG2  ARG  22           HG2      ARG  22   1.335  -6.886  -2.606
  179    HG3  ARG  22           HG1      ARG  22   1.641  -8.503  -1.965
  180    HD2  ARG  22           HD2      ARG  22  -0.501  -9.267  -2.831
  181    HD3  ARG  22           HD1      ARG  22  -0.853  -7.648  -3.428
  182    HE   ARG  22           HE       ARG  22   1.514  -9.054  -4.433
  183   HH11  ARG  22          HH11      ARG  22  -1.668  -7.674  -4.996
  184   HH12  ARG  22          HH12      ARG  22  -1.575  -7.877  -6.720
  185   HH21  ARG  22          HH21      ARG  22   1.628  -9.309  -6.691
  186   HH22  ARG  22          HH22      ARG  22   0.301  -8.798  -7.684
  187    H    HIS  23           HN       HIS  23  -0.043  -4.476  -0.353
  188    HA   HIS  23           HA       HIS  23   1.922  -3.387  -2.055
  189    HB2  HIS  23           HB2      HIS  23  -0.297  -2.558  -2.234
  190    HB3  HIS  23           HB1      HIS  23  -0.371  -2.178  -0.517
  191    HD1  HIS  23           HD1      HIS  23   0.888  -0.808  -3.793
  192    HD2  HIS  23           HD2      HIS  23   0.854   0.167   0.263
  193    HE1  HIS  23           HE1      HIS  23   1.708   1.596  -3.611
  194    H    LYS  24           HN       LYS  24   1.313  -2.997   1.426
  195    HA   LYS  24           HA       LYS  24   3.109  -0.973   2.003
  196    HB2  LYS  24           HB2      LYS  24   2.359  -3.406   3.616
  197    HB3  LYS  24           HB1      LYS  24   3.383  -2.128   4.250
  198    HG2  LYS  24           HG2      LYS  24   1.557  -0.517   3.900
  199    HG3  LYS  24           HG1      LYS  24   0.528  -1.835   3.331
  200    HD2  LYS  24           HD2      LYS  24   0.758  -2.955   5.492
  201    HD3  LYS  24           HD1      LYS  24   1.809  -1.657   6.059
  202    HE2  LYS  24           HE2      LYS  24  -0.040  -0.060   5.785
  203    HE3  LYS  24           HE1      LYS  24  -1.083  -1.374   5.241
  204    HZ1  LYS  24           HZ1      LYS  24   0.219  -1.241   7.905
  205    HZ2  LYS  24           HZ2      LYS  24  -0.879  -2.417   7.377
  206    HZ3  LYS  24           HZ3      LYS  24  -1.387  -0.821   7.592
  207    H    ARG  25           HN       ARG  25   3.714  -4.340   1.338
  208    HA   ARG  25           HA       ARG  25   6.412  -4.353   2.238
  209    HB2  ARG  25           HB2      ARG  25   4.839  -6.230   0.479
  210    HB3  ARG  25           HB1      ARG  25   6.504  -6.530   0.963
  211    HG2  ARG  25           HG2      ARG  25   5.848  -6.546   3.298
  212    HG3  ARG  25           HG1      ARG  25   4.187  -6.166   2.850
  213    HD2  ARG  25           HD2      ARG  25   4.019  -8.275   1.650
  214    HD3  ARG  25           HD1      ARG  25   5.693  -8.651   2.046
  215    HE   ARG  25           HE       ARG  25   4.982  -8.689   4.409
  216   HH11  ARG  25          HH11      ARG  25   2.606  -9.205   1.882
  217   HH12  ARG  25          HH12      ARG  25   1.481 -10.001   2.934
  218   HH21  ARG  25          HH21      ARG  25   1.994 -10.317   5.157
  219   HH22  ARG  25          HH22      ARG  25   3.512  -9.756   5.785
  220    H    THR  26           HN       THR  26   5.088  -2.766  -0.338
  221    HA   THR  26           HA       THR  26   7.372  -3.149  -2.099
  222    HB   THR  26           HB       THR  26   4.899  -2.730  -2.861
  223    HG1  THR  26           HG1      THR  26   7.108  -2.600  -4.068
  224   HG21  THR  26          HG21      THR  26   5.878   0.104  -2.472
  225   HG22  THR  26          HG22      THR  26   4.515  -0.653  -1.646
  226   HG23  THR  26          HG23      THR  26   4.441  -0.363  -3.384
  227    H    HIS  27           HN       HIS  27   6.296  -0.998   0.397
  228    HA   HIS  27           HA       HIS  27   8.250   1.041  -0.295
  229    HB2  HIS  27           HB2      HIS  27   6.397   0.795   2.085
  230    HB3  HIS  27           HB1      HIS  27   7.511   2.132   1.839
  231    HD1  HIS  27           HD1      HIS  27   6.974   3.603  -0.464
  232    HD2  HIS  27           HD2      HIS  27   3.968   1.137   1.048
  233    HE1  HIS  27           HE1      HIS  27   4.781   4.427  -1.465
  234    H    THR  28           HN       THR  28   7.746  -1.477   2.100
  235    HA   THR  28           HA       THR  28  10.322  -0.868   3.341
  236    HB   THR  28           HB       THR  28   9.489  -2.644   5.015
  237    HG1  THR  28           HG1      THR  28   6.892  -2.107   4.517
  238   HG21  THR  28          HG21      THR  28   8.093  -1.000   6.187
  239   HG22  THR  28          HG22      THR  28   7.974  -0.046   4.710
  240   HG23  THR  28          HG23      THR  28   9.535  -0.243   5.507
  241    H    GLY  29           HN       GLY  29   9.967  -2.211   0.705
  242    HA2  GLY  29           HA2      GLY  29  12.007  -4.129   0.937
  243    HA3  GLY  29           HA1      GLY  29  10.460  -4.966   0.876
  244    H    GLU  30           HN       GLU  30  11.305  -5.879  -1.129
  245    HA   GLU  30           HA       GLU  30  11.345  -6.064  -3.390
  246    HB2  GLU  30           HB2      GLU  30   8.979  -5.190  -2.970
  247    HB3  GLU  30           HB1      GLU  30   9.582  -3.617  -3.461
  248    HG2  GLU  30           HG2      GLU  30  10.264  -4.642  -5.633
  249    HG3  GLU  30           HG1      GLU  30   9.442  -6.117  -5.124
  250    H    LYS  31           HN       LYS  31  13.577  -4.960  -2.515
  251    HA   LYS  31           HA       LYS  31  14.048  -2.486  -4.008
  252    HB2  LYS  31           HB2      LYS  31  15.757  -3.885  -1.940
  253    HB3  LYS  31           HB1      LYS  31  16.160  -2.366  -2.724
  254    HG2  LYS  31           HG2      LYS  31  14.198  -1.317  -1.730
  255    HG3  LYS  31           HG1      LYS  31  13.767  -2.846  -0.962
  256    HD2  LYS  31           HD2      LYS  31  15.829  -2.804   0.325
  257    HD3  LYS  31           HD1      LYS  31  16.319  -1.311  -0.478
  258    HE2  LYS  31           HE2      LYS  31  14.392  -0.158   0.473
  259    HE3  LYS  31           HE1      LYS  31  13.869  -1.652   1.249
  260    HZ1  LYS  31           HZ1      LYS  31  15.044  -0.196   2.782
  261    HZ2  LYS  31           HZ2      LYS  31  16.420  -0.238   1.802
  262    HZ3  LYS  31           HZ3      LYS  31  15.882  -1.647   2.562
  263    HN1  NH2  32           HN1      NH2  32  16.005  -5.350  -3.295
  264    HN2  NH2  32           HN2      NH2  32  16.613  -5.556  -4.900
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1 -13.595   5.192   1.235
    2    H2   ARG   1           HT2      ARG   1 -14.298   3.956   0.324
    3    H3   ARG   1           HT3      ARG   1 -13.548   5.254  -0.455
    4    HA   ARG   1           HA       ARG   1 -12.189   3.263  -0.503
    5    HB2  ARG   1           HB2      ARG   1 -10.117   4.281   0.446
    6    HB3  ARG   1           HB1      ARG   1 -11.020   5.359  -0.606
    7    HG2  ARG   1           HG2      ARG   1 -11.895   6.556   1.288
    8    HG3  ARG   1           HG1      ARG   1 -11.154   5.407   2.401
    9    HD2  ARG   1           HD2      ARG   1  -9.832   7.438   2.281
   10    HD3  ARG   1           HD1      ARG   1  -8.933   6.083   1.604
   11    HE   ARG   1           HE       ARG   1  -9.985   7.103  -0.602
   12   HH11  ARG   1          HH11      ARG   1  -8.507   8.749   2.109
   13   HH12  ARG   1          HH12      ARG   1  -7.911  10.065   1.147
   14   HH21  ARG   1          HH21      ARG   1  -9.204   8.825  -1.871
   15   HH22  ARG   1          HH22      ARG   1  -8.308  10.110  -1.122
   16    HA   PRO   2           HA       PRO   2 -12.892   0.850   3.251
   17    HB2  PRO   2           HB2      PRO   2 -11.494  -1.163   1.585
   18    HB3  PRO   2           HB1      PRO   2 -13.039  -1.285   2.435
   19    HG2  PRO   2           HG2      PRO   2 -12.967  -1.055  -0.217
   20    HG3  PRO   2           HG1      PRO   2 -14.208  -0.218   0.735
   21    HD2  PRO   2           HD2      PRO   2 -11.691   0.880  -0.475
   22    HD3  PRO   2           HD1      PRO   2 -13.320   1.584  -0.427
   23    H    PHE   3           HN       PHE   3  -9.908   0.841   1.315
   24    HA   PHE   3           HA       PHE   3  -8.373   1.098   3.796
   25    HB2  PHE   3           HB2      PHE   3  -7.809  -0.895   1.589
   26    HB3  PHE   3           HB1      PHE   3  -6.667  -0.490   2.863
   27    HD1  PHE   3           HD1      PHE   3  -9.714  -2.273   2.016
   28    HD2  PHE   3           HD2      PHE   3  -7.107  -1.129   5.175
   29    HE1  PHE   3           HE1      PHE   3 -10.770  -3.937   3.487
   30    HE2  PHE   3           HE2      PHE   3  -8.151  -2.791   6.650
   31    HZ   PHE   3           HZ       PHE   3  -9.993  -4.199   5.807
   32    H    NLE   4           HN       NLE   4  -6.237   2.002   3.468
   33    HA   NLE   4           HA       NLE   4  -5.679   3.208   0.895
   34    HB2  NLE   4           HB1      NLE   4  -6.257   4.873   3.349
   35    HB3  NLE   4           HB2      NLE   4  -7.215   4.823   1.878
   36    HG2  NLE   4           HG1      NLE   4  -5.446   5.854   0.623
   37    HG3  NLE   4           HG2      NLE   4  -4.365   5.774   2.016
   38    HD2  NLE   4           HD1      NLE   4  -5.886   7.270   3.255
   39    HD3  NLE   4           HD2      NLE   4  -6.904   7.393   1.814
   40    HE1  NLE   4           HE1      NLE   4  -5.404   9.308   1.982
   41    HE2  NLE   4           HE2      NLE   4  -5.009   8.328   0.569
   42    HE3  NLE   4           HE3      NLE   4  -4.012   8.226   2.020
   43    H    CYS   5           HN       CYS   5  -3.561   3.501   0.583
   44    HA   CYS   5           HA       CYS   5  -1.668   2.881   2.668
   45    HB2  CYS   5           HB2      CYS   5  -1.134   2.157   0.421
   46    HB3  CYS   5           HB1      CYS   5  -1.321   3.795  -0.195
   47    H    THR   6           HN       THR   6  -0.944   4.332   4.085
   48    HA   THR   6           HA       THR   6  -1.563   7.138   3.627
   49    HB   THR   6           HB       THR   6  -0.773   7.367   6.040
   50    HG1  THR   6           HG1      THR   6  -1.105   4.551   6.140
   51   HG21  THR   6          HG21      THR   6  -3.083   5.503   5.472
   52   HG22  THR   6          HG22      THR   6  -3.143   7.264   5.407
   53   HG23  THR   6          HG23      THR   6  -2.851   6.450   6.943
   54    H    TRP   7           HN       TRP   7   0.889   5.344   2.653
   55    HA   TRP   7           HA       TRP   7   3.174   6.664   3.665
   56    HB2  TRP   7           HB2      TRP   7   3.027   4.434   2.358
   57    HB3  TRP   7           HB1      TRP   7   3.047   5.448   0.918
   58    HD1  TRP   7           HD1      TRP   7   5.328   6.825   0.428
   59    HE1  TRP   7           HE1      TRP   7   7.758   6.397   1.181
   60    HE3  TRP   7           HE3      TRP   7   4.416   3.565   4.248
   61    HZ2  TRP   7           HZ2      TRP   7   9.097   4.868   3.144
   62    HZ3  TRP   7           HZ3      TRP   7   6.324   2.665   5.514
   63    HH2  TRP   7           HH2      TRP   7   8.612   3.300   4.973
   64    H    SER   8           HN       SER   8   4.060   8.533   3.167
   65    HA   SER   8           HA       SER   8   2.656  10.526   1.835
   66    HB2  SER   8           HB2      SER   8   4.469  10.822   3.565
   67    HB3  SER   8           HB1      SER   8   5.640  10.496   2.291
   68    HG   SER   8           HG       SER   8   3.716  12.587   2.268
   69    H    TYR   9           HN       TYR   9   2.829  11.467  -0.147
   70    HA   TYR   9           HA       TYR   9   3.164  11.694  -2.364
   71    HB2  TYR   9           HB2      TYR   9   5.668  10.077  -1.884
   72    HB3  TYR   9           HB1      TYR   9   5.277  10.912  -3.381
   73    HD1  TYR   9           HD1      TYR   9   7.016  11.144  -0.348
   74    HD2  TYR   9           HD2      TYR   9   4.760  13.499  -3.082
   75    HE1  TYR   9           HE1      TYR   9   8.091  13.175   0.518
   76    HE2  TYR   9           HE2      TYR   9   5.831  15.533  -2.220
   77    HH   TYR   9           HH       TYR   9   6.942  16.276  -0.121
   78    H    CYS  10           HN       CYS  10   2.378   8.868  -0.935
   79    HA   CYS  10           HA       CYS  10   2.074   7.486  -3.505
   80    HB2  CYS  10           HB2      CYS  10   3.299   6.288  -1.680
   81    HB3  CYS  10           HB1      CYS  10   1.817   6.313  -0.735
   82    H    GLY  11           HN       GLY  11   0.231   7.382  -0.441
   83    HA2  GLY  11           HA2      GLY  11  -2.029   7.469  -0.045
   84    HA3  GLY  11           HA1      GLY  11  -2.030   8.761  -1.232
   85    H    LYS  12           HN       LYS  12  -1.502   5.255  -1.514
   86    HA   LYS  12           HA       LYS  12  -3.298   5.199  -3.801
   87    HB2  LYS  12           HB2      LYS  12  -1.088   4.107  -3.934
   88    HB3  LYS  12           HB1      LYS  12  -1.546   3.035  -2.621
   89    HG2  LYS  12           HG2      LYS  12  -3.237   2.007  -3.974
   90    HG3  LYS  12           HG1      LYS  12  -2.946   3.163  -5.278
   91    HD2  LYS  12           HD2      LYS  12  -0.728   2.307  -5.616
   92    HD3  LYS  12           HD1      LYS  12  -0.866   1.270  -4.197
   93    HE2  LYS  12           HE2      LYS  12  -1.183  -0.080  -6.154
   94    HE3  LYS  12           HE1      LYS  12  -2.730   0.074  -5.323
   95    HZ1  LYS  12           HZ1      LYS  12  -3.336   1.818  -6.901
   96    HZ2  LYS  12           HZ2      LYS  12  -3.019   0.350  -7.673
   97    HZ3  LYS  12           HZ3      LYS  12  -1.873   1.591  -7.720
   98    H    ARG  13           HN       ARG  13  -5.295   4.291  -3.794
   99    HA   ARG  13           HA       ARG  13  -6.377   3.515  -1.203
  100    HB2  ARG  13           HB2      ARG  13  -8.553   3.744  -2.200
  101    HB3  ARG  13           HB1      ARG  13  -7.584   5.126  -2.697
  102    HG2  ARG  13           HG2      ARG  13  -7.316   4.291  -4.877
  103    HG3  ARG  13           HG1      ARG  13  -7.867   2.681  -4.411
  104    HD2  ARG  13           HD2      ARG  13  -9.625   3.729  -5.625
  105    HD3  ARG  13           HD1      ARG  13 -10.101   3.667  -3.931
  106    HE   ARG  13           HE       ARG  13  -8.944   6.131  -4.250
  107   HH11  ARG  13          HH11      ARG  13 -11.591   4.401  -5.745
  108   HH12  ARG  13          HH12      ARG  13 -12.496   5.837  -6.106
  109   HH21  ARG  13          HH21      ARG  13 -10.128   8.031  -4.734
  110   HH22  ARG  13          HH22      ARG  13 -11.661   7.902  -5.539
  111    H    PHE  14           HN       PHE  14  -7.520   1.585  -0.810
  112    HA   PHE  14           HA       PHE  14  -7.388  -0.524  -2.839
  113    HB2  PHE  14           HB2      PHE  14  -6.406  -0.845   0.010
  114    HB3  PHE  14           HB1      PHE  14  -6.627  -2.162  -1.138
  115    HD1  PHE  14           HD1      PHE  14  -4.550   0.636  -0.144
  116    HD2  PHE  14           HD2      PHE  14  -5.168  -2.394  -3.054
  117    HE1  PHE  14           HE1      PHE  14  -2.267   0.986  -0.992
  118    HE2  PHE  14           HE2      PHE  14  -2.888  -2.057  -3.901
  119    HZ   PHE  14           HZ       PHE  14  -1.438  -0.363  -2.866
  120    H    THR  15           HN       THR  15  -8.799  -2.341  -2.331
  121    HA   THR  15           HA       THR  15 -11.123  -1.479  -0.764
  122    HB   THR  15           HB       THR  15 -12.310  -3.296  -2.102
  123    HG1  THR  15           HG1      THR  15 -11.273  -4.048  -3.923
  124   HG21  THR  15          HG21      THR  15 -12.600  -0.919  -2.595
  125   HG22  THR  15          HG22      THR  15 -12.561  -1.862  -4.086
  126   HG23  THR  15          HG23      THR  15 -11.143  -0.938  -3.589
  127    H    ARG  16           HN       ARG  16  -8.533  -3.620  -0.733
  128    HA   ARG  16           HA       ARG  16  -9.754  -5.134   1.449
  129    HB2  ARG  16           HB2      ARG  16  -8.680  -7.229   0.546
  130    HB3  ARG  16           HB1      ARG  16 -10.056  -6.635  -0.373
  131    HG2  ARG  16           HG2      ARG  16  -8.596  -5.699  -2.039
  132    HG3  ARG  16           HG1      ARG  16  -7.179  -6.147  -1.090
  133    HD2  ARG  16           HD2      ARG  16  -7.588  -7.716  -2.932
  134    HD3  ARG  16           HD1      ARG  16  -7.710  -8.500  -1.360
  135    HE   ARG  16           HE       ARG  16 -10.273  -7.803  -1.915
  136   HH11  ARG  16          HH11      ARG  16  -7.823  -9.553  -3.695
  137   HH12  ARG  16          HH12      ARG  16  -8.966 -10.577  -4.503
  138   HH21  ARG  16          HH21      ARG  16 -11.779  -9.143  -2.980
  139   HH22  ARG  16          HH22      ARG  16 -11.218 -10.344  -4.102
  140    H    SER  17           HN       SER  17  -8.311  -5.965   2.955
  141    HA   SER  17           HA       SER  17  -6.168  -4.172   3.438
  142    HB2  SER  17           HB2      SER  17  -5.846  -5.702   5.480
  143    HB3  SER  17           HB1      SER  17  -7.379  -4.844   5.338
  144    HG   SER  17           HG       SER  17  -7.002  -7.444   5.551
  145    H    ASP  18           HN       ASP  18  -6.335  -7.552   2.427
  146    HA   ASP  18           HA       ASP  18  -3.616  -8.168   2.763
  147    HB2  ASP  18           HB2      ASP  18  -5.758  -9.275   0.978
  148    HB3  ASP  18           HB1      ASP  18  -4.095  -9.821   0.806
  149    H    GLU  19           HN       GLU  19  -5.341  -6.649   0.105
  150    HA   GLU  19           HA       GLU  19  -3.174  -6.601  -1.708
  151    HB2  GLU  19           HB2      GLU  19  -5.639  -6.216  -2.234
  152    HB3  GLU  19           HB1      GLU  19  -5.426  -4.593  -1.598
  153    HG2  GLU  19           HG2      GLU  19  -5.263  -4.506  -3.966
  154    HG3  GLU  19           HG1      GLU  19  -3.660  -4.219  -3.289
  155    H    LEU  20           HN       LEU  20  -4.451  -4.226   0.602
  156    HA   LEU  20           HA       LEU  20  -2.558  -2.217   0.175
  157    HB2  LEU  20           HB2      LEU  20  -4.501  -1.700   1.425
  158    HB3  LEU  20           HB1      LEU  20  -4.190  -2.979   2.580
  159    HG   LEU  20           HG       LEU  20  -2.203  -1.727   3.383
  160   HD11  LEU  20          HD11      LEU  20  -1.763  -0.462   1.329
  161   HD12  LEU  20          HD12      LEU  20  -1.903   0.590   2.737
  162   HD13  LEU  20          HD13      LEU  20  -3.240   0.464   1.596
  163   HD21  LEU  20          HD21      LEU  20  -3.439  -0.057   4.616
  164   HD22  LEU  20          HD22      LEU  20  -4.396  -1.534   4.484
  165   HD23  LEU  20          HD23      LEU  20  -4.764  -0.148   3.458
  166    H    GLN  21           HN       GLN  21  -2.524  -4.935   2.457
  167    HA   GLN  21           HA       GLN  21  -0.145  -4.234   3.769
  168    HB2  GLN  21           HB2      GLN  21  -1.514  -6.897   3.402
  169    HB3  GLN  21           HB1      GLN  21  -0.087  -6.684   4.409
  170    HG2  GLN  21           HG2      GLN  21  -1.256  -5.190   5.865
  171    HG3  GLN  21           HG1      GLN  21  -2.658  -5.169   4.797
  172   HE21  GLN  21          HE21      GLN  21  -2.415  -5.918   7.614
  173   HE22  GLN  21          HE22      GLN  21  -3.029  -7.531   7.725
  174    H    ARG  22           HN       ARG  22  -0.693  -6.408   1.005
  175    HA   ARG  22           HA       ARG  22   2.007  -7.145   0.669
  176    HB2  ARG  22           HB2      ARG  22  -0.248  -6.971  -1.335
  177    HB3  ARG  22           HB1      ARG  22   1.338  -7.625  -1.717
  178    HG2  ARG  22           HG2      ARG  22   1.025  -9.329   0.033
  179    HG3  ARG  22           HG1      ARG  22  -0.595  -8.696   0.326
  180    HD2  ARG  22           HD2      ARG  22   0.429  -9.894  -2.243
  181    HD3  ARG  22           HD1      ARG  22  -0.700 -10.639  -1.116
  182    HE   ARG  22           HE       ARG  22  -1.318  -8.187  -2.637
  183   HH11  ARG  22          HH11      ARG  22  -2.258 -11.295  -1.317
  184   HH12  ARG  22          HH12      ARG  22  -3.864 -11.220  -1.964
  185   HH21  ARG  22          HH21      ARG  22  -3.417  -8.086  -3.486
  186   HH22  ARG  22          HH22      ARG  22  -4.531  -9.394  -3.194
  187    H    HIS  23           HN       HIS  23   0.102  -4.474  -0.560
  188    HA   HIS  23           HA       HIS  23   2.048  -3.318  -2.222
  189    HB2  HIS  23           HB2      HIS  23  -0.201  -2.590  -2.468
  190    HB3  HIS  23           HB1      HIS  23  -0.342  -2.202  -0.758
  191    HD1  HIS  23           HD1      HIS  23   0.715  -0.733  -4.027
  192    HD2  HIS  23           HD2      HIS  23   0.909   0.179   0.040
  193    HE1  HIS  23           HE1      HIS  23   1.480   1.695  -3.853
  194    H    LYS  24           HN       LYS  24   1.293  -2.803   1.205
  195    HA   LYS  24           HA       LYS  24   3.120  -0.709   1.629
  196    HB2  LYS  24           HB2      LYS  24   1.983  -2.734   3.551
  197    HB3  LYS  24           HB1      LYS  24   2.943  -1.348   4.048
  198    HG2  LYS  24           HG2      LYS  24   1.257   0.145   3.038
  199    HG3  LYS  24           HG1      LYS  24   0.287  -1.270   2.629
  200    HD2  LYS  24           HD2      LYS  24  -0.544  -0.247   4.664
  201    HD3  LYS  24           HD1      LYS  24   0.132  -1.837   5.015
  202    HE2  LYS  24           HE2      LYS  24   2.172  -0.821   5.843
  203    HE3  LYS  24           HE1      LYS  24   1.584   0.780   5.405
  204    HZ1  LYS  24           HZ1      LYS  24  -0.151   0.589   7.028
  205    HZ2  LYS  24           HZ2      LYS  24   1.326   0.262   7.780
  206    HZ3  LYS  24           HZ3      LYS  24   0.280  -1.006   7.382
  207    H    ARG  25           HN       ARG  25   3.516  -4.165   1.517
  208    HA   ARG  25           HA       ARG  25   6.018  -4.324   2.802
  209    HB2  ARG  25           HB2      ARG  25   4.775  -6.074   0.683
  210    HB3  ARG  25           HB1      ARG  25   6.276  -6.464   1.515
  211    HG2  ARG  25           HG2      ARG  25   5.084  -6.467   3.647
  212    HG3  ARG  25           HG1      ARG  25   3.582  -6.092   2.804
  213    HD2  ARG  25           HD2      ARG  25   3.675  -8.454   3.266
  214    HD3  ARG  25           HD1      ARG  25   3.817  -8.195   1.531
  215    HE   ARG  25           HE       ARG  25   6.372  -8.355   2.192
  216   HH11  ARG  25          HH11      ARG  25   3.681 -10.321   3.272
  217   HH12  ARG  25          HH12      ARG  25   4.644 -11.750   3.473
  218   HH21  ARG  25          HH21      ARG  25   6.895 -11.701   3.012
  219   HH22  ARG  25          HH22      ARG  25   7.641 -10.235   2.461
  220    H    THR  26           HN       THR  26   5.085  -3.186  -0.312
  221    HA   THR  26           HA       THR  26   7.640  -3.426  -1.550
  222    HB   THR  26           HB       THR  26   5.466  -1.459  -2.279
  223    HG1  THR  26           HG1      THR  26   5.049  -3.356  -3.831
  224   HG21  THR  26          HG21      THR  26   7.670  -1.170  -3.369
  225   HG22  THR  26          HG22      THR  26   6.402  -1.619  -4.508
  226   HG23  THR  26          HG23      THR  26   7.566  -2.826  -3.964
  227    H    HIS  27           HN       HIS  27   6.074  -0.987   0.465
  228    HA   HIS  27           HA       HIS  27   8.178   0.955   0.079
  229    HB2  HIS  27           HB2      HIS  27   6.016   0.796   2.193
  230    HB3  HIS  27           HB1      HIS  27   7.150   2.124   2.035
  231    HD1  HIS  27           HD1      HIS  27   6.926   3.385  -0.512
  232    HD2  HIS  27           HD2      HIS  27   3.700   1.246   1.036
  233    HE1  HIS  27           HE1      HIS  27   4.834   4.255  -1.695
  234    H    THR  28           HN       THR  28   7.241  -1.400   2.517
  235    HA   THR  28           HA       THR  28   9.505  -0.712   4.200
  236    HB   THR  28           HB       THR  28   8.498  -2.540   5.691
  237    HG1  THR  28           HG1      THR  28   6.305  -2.174   3.886
  238   HG21  THR  28          HG21      THR  28   6.842  -0.101   5.032
  239   HG22  THR  28          HG22      THR  28   8.208  -0.158   6.146
  240   HG23  THR  28          HG23      THR  28   6.730  -1.046   6.516
  241    H    GLY  29           HN       GLY  29  10.709  -1.552   2.099
  242    HA2  GLY  29           HA2      GLY  29  11.062  -4.444   2.137
  243    HA3  GLY  29           HA1      GLY  29  11.810  -3.315   1.015
  244    H    GLU  30           HN       GLU  30  13.926  -3.714   1.210
  245    HA   GLU  30           HA       GLU  30  15.154  -4.393   3.700
  246    HB2  GLU  30           HB2      GLU  30  16.459  -3.552   1.105
  247    HB3  GLU  30           HB1      GLU  30  17.245  -4.369   2.447
  248    HG2  GLU  30           HG2      GLU  30  15.737  -6.300   2.087
  249    HG3  GLU  30           HG1      GLU  30  15.091  -5.481   0.668
  250    H    LYS  31           HN       LYS  31  14.359  -1.472   2.135
  251    HA   LYS  31           HA       LYS  31  16.116   0.019   3.971
  252    HB2  LYS  31           HB2      LYS  31  15.164   0.878   1.230
  253    HB3  LYS  31           HB1      LYS  31  16.207   1.807   2.297
  254    HG2  LYS  31           HG2      LYS  31  17.973   0.224   2.068
  255    HG3  LYS  31           HG1      LYS  31  16.922  -0.902   1.207
  256    HD2  LYS  31           HD2      LYS  31  16.692   0.777  -0.604
  257    HD3  LYS  31           HD1      LYS  31  17.857   1.799   0.243
  258    HE2  LYS  31           HE2      LYS  31  19.554   0.086   0.041
  259    HE3  LYS  31           HE1      LYS  31  18.392  -1.013  -0.699
  260    HZ1  LYS  31           HZ1      LYS  31  19.337   1.553  -1.848
  261    HZ2  LYS  31           HZ2      LYS  31  18.192   0.530  -2.556
  262    HZ3  LYS  31           HZ3      LYS  31  19.787   0.005  -2.363
  263    HN1  NH2  32           HN1      NH2  32  13.508   1.153   1.894
  264    HN2  NH2  32           HN2      NH2  32  12.476   1.693   3.172
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1 -13.133   5.488   0.237
    2    H2   ARG   1           HT2      ARG   1 -13.433   4.082  -0.644
    3    H3   ARG   1           HT3      ARG   1 -12.690   5.402  -1.393
    4    HA   ARG   1           HA       ARG   1 -11.068   3.713  -0.919
    5    HB2  ARG   1           HB2      ARG   1 -10.846   6.138   0.882
    6    HB3  ARG   1           HB1      ARG   1  -9.511   5.071   0.474
    7    HG2  ARG   1           HG2      ARG   1  -9.749   5.669  -1.882
    8    HG3  ARG   1           HG1      ARG   1 -11.089   6.739  -1.474
    9    HD2  ARG   1           HD2      ARG   1  -9.629   8.147  -0.169
   10    HD3  ARG   1           HD1      ARG   1  -8.286   7.026  -0.396
   11    HE   ARG   1           HE       ARG   1  -9.284   7.879  -2.901
   12   HH11  ARG   1          HH11      ARG   1  -7.457   9.102  -0.175
   13   HH12  ARG   1          HH12      ARG   1  -6.497  10.172  -1.142
   14   HH21  ARG   1          HH21      ARG   1  -8.044   9.308  -4.165
   15   HH22  ARG   1          HH22      ARG   1  -6.842  10.302  -3.409
   16    HA   PRO   2           HA       PRO   2 -12.790   1.604   2.802
   17    HB2  PRO   2           HB2      PRO   2 -11.580  -0.726   1.442
   18    HB3  PRO   2           HB1      PRO   2 -13.223  -0.518   2.061
   19    HG2  PRO   2           HG2      PRO   2 -12.728  -0.522  -0.565
   20    HG3  PRO   2           HG1      PRO   2 -13.953   0.550   0.139
   21    HD2  PRO   2           HD2      PRO   2 -11.155   1.186  -0.733
   22    HD3  PRO   2           HD1      PRO   2 -12.645   2.120  -0.970
   23    H    PHE   3           HN       PHE   3  -9.736   0.869   1.167
   24    HA   PHE   3           HA       PHE   3  -8.351   1.165   3.746
   25    HB2  PHE   3           HB2      PHE   3  -7.671  -0.782   1.522
   26    HB3  PHE   3           HB1      PHE   3  -6.723  -0.534   2.982
   27    HD1  PHE   3           HD1      PHE   3  -9.700  -2.044   1.559
   28    HD2  PHE   3           HD2      PHE   3  -7.563  -1.274   5.153
   29    HE1  PHE   3           HE1      PHE   3 -11.071  -3.718   2.728
   30    HE2  PHE   3           HE2      PHE   3  -8.928  -2.952   6.328
   31    HZ   PHE   3           HZ       PHE   3 -10.682  -4.177   5.114
   32    H    NLE   4           HN       NLE   4  -6.464   2.391   3.663
   33    HA   NLE   4           HA       NLE   4  -5.722   3.466   1.042
   34    HB2  NLE   4           HB1      NLE   4  -6.346   5.145   3.479
   35    HB3  NLE   4           HB2      NLE   4  -7.331   5.031   2.030
   36    HG2  NLE   4           HG1      NLE   4  -5.621   6.089   0.716
   37    HG3  NLE   4           HG2      NLE   4  -4.508   6.079   2.087
   38    HD2  NLE   4           HD1      NLE   4  -6.058   7.555   3.322
   39    HD3  NLE   4           HD2      NLE   4  -7.114   7.601   1.902
   40    HE1  NLE   4           HE1      NLE   4  -5.303   8.590   0.589
   41    HE2  NLE   4           HE2      NLE   4  -4.249   8.543   2.003
   42    HE3  NLE   4           HE3      NLE   4  -5.678   9.577   1.999
   43    H    CYS   5           HN       CYS   5  -3.613   3.480   0.750
   44    HA   CYS   5           HA       CYS   5  -1.774   3.068   2.927
   45    HB2  CYS   5           HB2      CYS   5  -1.284   2.068   0.754
   46    HB3  CYS   5           HB1      CYS   5  -1.323   3.650  -0.009
   47    H    THR   6           HN       THR   6  -1.200   4.698   4.219
   48    HA   THR   6           HA       THR   6  -1.597   7.420   3.272
   49    HB   THR   6           HB       THR   6  -1.122   7.962   5.740
   50    HG1  THR   6           HG1      THR   6  -1.896   5.335   6.312
   51   HG21  THR   6          HG21      THR   6  -3.355   8.027   4.778
   52   HG22  THR   6          HG22      THR   6  -3.414   7.322   6.394
   53   HG23  THR   6          HG23      THR   6  -3.512   6.282   4.972
   54    H    TRP   7           HN       TRP   7   0.765   5.552   2.665
   55    HA   TRP   7           HA       TRP   7   3.075   6.729   3.788
   56    HB2  TRP   7           HB2      TRP   7   2.839   4.515   2.477
   57    HB3  TRP   7           HB1      TRP   7   2.968   5.514   1.036
   58    HD1  TRP   7           HD1      TRP   7   5.339   6.843   0.703
   59    HE1  TRP   7           HE1      TRP   7   7.713   6.205   1.472
   60    HE3  TRP   7           HE3      TRP   7   4.122   3.397   4.265
   61    HZ2  TRP   7           HZ2      TRP   7   8.904   4.459   3.346
   62    HZ3  TRP   7           HZ3      TRP   7   5.937   2.282   5.497
   63    HH2  TRP   7           HH2      TRP   7   8.274   2.801   5.044
   64    H    SER   8           HN       SER   8   4.408   8.345   3.039
   65    HA   SER   8           HA       SER   8   3.221  10.586   1.881
   66    HB2  SER   8           HB2      SER   8   5.205  10.647   3.367
   67    HB3  SER   8           HB1      SER   8   6.175   9.943   2.076
   68    HG   SER   8           HG       SER   8   4.736  12.365   1.754
   69    H    TYR   9           HN       TYR   9   3.063  11.348  -0.123
   70    HA   TYR   9           HA       TYR   9   3.138  11.542  -2.376
   71    HB2  TYR   9           HB2      TYR   9   5.633   9.848  -2.220
   72    HB3  TYR   9           HB1      TYR   9   5.111  10.787  -3.611
   73    HD1  TYR   9           HD1      TYR   9   7.406  10.767  -1.087
   74    HD2  TYR   9           HD2      TYR   9   4.514  13.369  -2.806
   75    HE1  TYR   9           HE1      TYR   9   8.649  12.703  -0.237
   76    HE2  TYR   9           HE2      TYR   9   5.754  15.309  -1.958
   77    HH   TYR   9           HH       TYR   9   8.902  15.126  -0.834
   78    H    CYS  10           HN       CYS  10   2.243   8.894  -0.867
   79    HA   CYS  10           HA       CYS  10   1.834   7.388  -3.350
   80    HB2  CYS  10           HB2      CYS  10   3.055   6.214  -1.518
   81    HB3  CYS  10           HB1      CYS  10   1.611   6.354  -0.523
   82    H    GLY  11           HN       GLY  11   0.014   7.279  -0.291
   83    HA2  GLY  11           HA2      GLY  11  -2.233   7.488   0.126
   84    HA3  GLY  11           HA1      GLY  11  -2.217   8.744  -1.099
   85    H    LYS  12           HN       LYS  12  -1.468   5.344  -1.668
   86    HA   LYS  12           HA       LYS  12  -3.497   5.258  -3.723
   87    HB2  LYS  12           HB2      LYS  12  -1.212   4.278  -4.027
   88    HB3  LYS  12           HB1      LYS  12  -1.617   3.064  -2.821
   89    HG2  LYS  12           HG2      LYS  12  -3.254   2.090  -4.210
   90    HG3  LYS  12           HG1      LYS  12  -3.215   3.451  -5.335
   91    HD2  LYS  12           HD2      LYS  12  -0.901   2.873  -5.929
   92    HD3  LYS  12           HD1      LYS  12  -0.970   1.499  -4.824
   93    HE2  LYS  12           HE2      LYS  12  -1.349   0.807  -7.148
   94    HE3  LYS  12           HE1      LYS  12  -2.761   0.503  -6.140
   95    HZ1  LYS  12           HZ1      LYS  12  -3.343   1.458  -8.293
   96    HZ2  LYS  12           HZ2      LYS  12  -2.435   2.838  -7.941
   97    HZ3  LYS  12           HZ3      LYS  12  -3.804   2.470  -7.021
   98    H    ARG  13           HN       ARG  13  -5.379   4.108  -3.666
   99    HA   ARG  13           HA       ARG  13  -6.158   3.147  -1.009
  100    HB2  ARG  13           HB2      ARG  13  -8.414   3.648  -1.536
  101    HB3  ARG  13           HB1      ARG  13  -7.464   5.022  -2.077
  102    HG2  ARG  13           HG2      ARG  13  -8.289   2.827  -3.949
  103    HG3  ARG  13           HG1      ARG  13  -9.336   4.199  -3.594
  104    HD2  ARG  13           HD2      ARG  13  -7.542   5.716  -4.361
  105    HD3  ARG  13           HD1      ARG  13  -6.570   4.311  -4.792
  106    HE   ARG  13           HE       ARG  13  -8.871   3.898  -6.145
  107   HH11  ARG  13          HH11      ARG  13  -6.659   6.604  -5.946
  108   HH12  ARG  13          HH12      ARG  13  -7.001   7.168  -7.550
  109   HH21  ARG  13          HH21      ARG  13  -9.329   4.642  -8.254
  110   HH22  ARG  13          HH22      ARG  13  -8.530   6.059  -8.858
  111    H    PHE  14           HN       PHE  14  -7.367   1.249  -0.749
  112    HA   PHE  14           HA       PHE  14  -7.374  -0.635  -3.001
  113    HB2  PHE  14           HB2      PHE  14  -6.311  -1.264  -0.231
  114    HB3  PHE  14           HB1      PHE  14  -6.441  -2.396  -1.576
  115    HD1  PHE  14           HD1      PHE  14  -4.550   0.328  -0.122
  116    HD2  PHE  14           HD2      PHE  14  -4.986  -2.184  -3.517
  117    HE1  PHE  14           HE1      PHE  14  -2.317   0.998  -0.903
  118    HE2  PHE  14           HE2      PHE  14  -2.754  -1.523  -4.303
  119    HZ   PHE  14           HZ       PHE  14  -1.419   0.068  -2.989
  120    H    THR  15           HN       THR  15  -8.792  -2.462  -2.645
  121    HA   THR  15           HA       THR  15 -11.134  -1.649  -1.107
  122    HB   THR  15           HB       THR  15 -10.912  -3.921  -3.089
  123    HG1  THR  15           HG1      THR  15 -11.398  -1.142  -3.457
  124   HG21  THR  15          HG21      THR  15 -13.338  -3.623  -3.297
  125   HG22  THR  15          HG22      THR  15 -13.288  -2.339  -2.090
  126   HG23  THR  15          HG23      THR  15 -12.885  -3.994  -1.634
  127    H    ARG  16           HN       ARG  16  -8.549  -3.908  -1.024
  128    HA   ARG  16           HA       ARG  16  -9.750  -5.112   1.360
  129    HB2  ARG  16           HB2      ARG  16  -8.777  -7.327   0.725
  130    HB3  ARG  16           HB1      ARG  16 -10.107  -6.798  -0.294
  131    HG2  ARG  16           HG2      ARG  16  -8.524  -6.109  -2.013
  132    HG3  ARG  16           HG1      ARG  16  -7.184  -6.628  -0.990
  133    HD2  ARG  16           HD2      ARG  16  -7.756  -8.308  -2.692
  134    HD3  ARG  16           HD1      ARG  16  -7.992  -8.920  -1.056
  135    HE   ARG  16           HE       ARG  16 -10.370  -7.790  -2.210
  136   HH11  ARG  16          HH11      ARG  16  -8.403 -10.684  -2.024
  137   HH12  ARG  16          HH12      ARG  16  -9.733 -11.755  -2.324
  138   HH21  ARG  16          HH21      ARG  16 -12.113  -9.192  -2.598
  139   HH22  ARG  16          HH22      ARG  16 -11.845 -10.905  -2.653
  140    H    SER  17           HN       SER  17  -8.321  -5.761   2.952
  141    HA   SER  17           HA       SER  17  -6.128  -3.971   3.181
  142    HB2  SER  17           HB2      SER  17  -7.581  -4.577   5.083
  143    HB3  SER  17           HB1      SER  17  -6.956  -6.222   5.020
  144    HG   SER  17           HG       SER  17  -5.115  -5.581   5.879
  145    H    ASP  18           HN       ASP  18  -6.431  -7.340   2.364
  146    HA   ASP  18           HA       ASP  18  -3.775  -8.132   2.876
  147    HB2  ASP  18           HB2      ASP  18  -5.683  -9.173   0.768
  148    HB3  ASP  18           HB1      ASP  18  -4.211  -9.977   1.299
  149    H    GLU  19           HN       GLU  19  -5.322  -6.610   0.143
  150    HA   GLU  19           HA       GLU  19  -3.107  -6.645  -1.620
  151    HB2  GLU  19           HB2      GLU  19  -5.494  -6.279  -2.286
  152    HB3  GLU  19           HB1      GLU  19  -5.419  -4.701  -1.522
  153    HG2  GLU  19           HG2      GLU  19  -5.151  -4.382  -3.843
  154    HG3  GLU  19           HG1      GLU  19  -3.582  -4.111  -3.087
  155    H    LEU  20           HN       LEU  20  -4.406  -4.271   0.661
  156    HA   LEU  20           HA       LEU  20  -2.541  -2.233   0.233
  157    HB2  LEU  20           HB2      LEU  20  -4.509  -1.734   1.462
  158    HB3  LEU  20           HB1      LEU  20  -4.177  -2.990   2.637
  159    HG   LEU  20           HG       LEU  20  -2.227  -1.689   3.441
  160   HD11  LEU  20          HD11      LEU  20  -1.776  -0.467   1.363
  161   HD12  LEU  20          HD12      LEU  20  -1.932   0.609   2.752
  162   HD13  LEU  20          HD13      LEU  20  -3.259   0.458   1.601
  163   HD21  LEU  20          HD21      LEU  20  -3.500   0.005   4.616
  164   HD22  LEU  20          HD22      LEU  20  -4.428  -1.494   4.520
  165   HD23  LEU  20          HD23      LEU  20  -4.814  -0.145   3.451
  166    H    GLN  21           HN       GLN  21  -2.492  -4.901   2.590
  167    HA   GLN  21           HA       GLN  21  -0.090  -4.119   3.835
  168    HB2  GLN  21           HB2      GLN  21  -1.440  -6.813   3.651
  169    HB3  GLN  21           HB1      GLN  21  -0.002  -6.518   4.622
  170    HG2  GLN  21           HG2      GLN  21  -2.692  -5.204   4.961
  171    HG3  GLN  21           HG1      GLN  21  -1.983  -6.437   6.002
  172   HE21  GLN  21          HE21      GLN  21  -2.883  -3.727   6.633
  173   HE22  GLN  21          HE22      GLN  21  -1.515  -2.921   7.317
  174    H    ARG  22           HN       ARG  22  -0.723  -6.349   1.156
  175    HA   ARG  22           HA       ARG  22   1.965  -7.150   0.794
  176    HB2  ARG  22           HB2      ARG  22   0.057  -8.357  -0.196
  177    HB3  ARG  22           HB1      ARG  22  -0.263  -6.986  -1.248
  178    HG2  ARG  22           HG2      ARG  22   0.888  -8.657  -2.498
  179    HG3  ARG  22           HG1      ARG  22   1.985  -7.301  -2.245
  180    HD2  ARG  22           HD2      ARG  22   3.045  -8.509  -0.400
  181    HD3  ARG  22           HD1      ARG  22   1.950  -9.865  -0.657
  182    HE   ARG  22           HE       ARG  22   3.422  -9.164  -3.014
  183   HH11  ARG  22          HH11      ARG  22   3.554 -10.964  -0.014
  184   HH12  ARG  22          HH12      ARG  22   4.749 -12.082  -0.589
  185   HH21  ARG  22          HH21      ARG  22   4.994 -10.646  -3.775
  186   HH22  ARG  22          HH22      ARG  22   5.559 -11.909  -2.727
  187    H    HIS  23           HN       HIS  23   0.037  -4.502  -0.462
  188    HA   HIS  23           HA       HIS  23   1.945  -3.393  -2.200
  189    HB2  HIS  23           HB2      HIS  23  -0.272  -2.610  -2.422
  190    HB3  HIS  23           HB1      HIS  23  -0.415  -2.265  -0.702
  191    HD1  HIS  23           HD1      HIS  23   0.624  -0.709  -3.931
  192    HD2  HIS  23           HD2      HIS  23   0.868   0.081   0.158
  193    HE1  HIS  23           HE1      HIS  23   1.368   1.719  -3.697
  194    H    LYS  24           HN       LYS  24   1.267  -2.736   1.239
  195    HA   LYS  24           HA       LYS  24   3.115  -0.679   1.603
  196    HB2  LYS  24           HB2      LYS  24   2.191  -2.769   3.570
  197    HB3  LYS  24           HB1      LYS  24   3.102  -1.332   4.007
  198    HG2  LYS  24           HG2      LYS  24   1.259   0.052   3.089
  199    HG3  LYS  24           HG1      LYS  24   0.337  -1.428   2.821
  200    HD2  LYS  24           HD2      LYS  24  -0.362  -0.420   4.897
  201    HD3  LYS  24           HD1      LYS  24   0.498  -1.923   5.237
  202    HE2  LYS  24           HE2      LYS  24   2.513  -0.675   5.781
  203    HE3  LYS  24           HE1      LYS  24   1.709   0.841   5.378
  204    HZ1  LYS  24           HZ1      LYS  24   1.747   0.460   7.758
  205    HZ2  LYS  24           HZ2      LYS  24   0.921  -1.004   7.566
  206    HZ3  LYS  24           HZ3      LYS  24   0.157   0.451   7.182
  207    H    ARG  25           HN       ARG  25   3.578  -4.095   1.351
  208    HA   ARG  25           HA       ARG  25   6.155  -4.243   2.495
  209    HB2  ARG  25           HB2      ARG  25   4.770  -5.980   0.458
  210    HB3  ARG  25           HB1      ARG  25   6.320  -6.378   1.187
  211    HG2  ARG  25           HG2      ARG  25   3.756  -5.968   2.705
  212    HG3  ARG  25           HG1      ARG  25   4.419  -7.533   2.238
  213    HD2  ARG  25           HD2      ARG  25   5.683  -5.503   4.079
  214    HD3  ARG  25           HD1      ARG  25   4.991  -7.057   4.539
  215    HE   ARG  25           HE       ARG  25   6.905  -7.741   2.747
  216   HH11  ARG  25          HH11      ARG  25   6.906  -5.819   5.664
  217   HH12  ARG  25          HH12      ARG  25   8.568  -6.144   6.032
  218   HH21  ARG  25          HH21      ARG  25   9.813  -7.487   4.641
  219   HH22  ARG  25          HH22      ARG  25   9.093  -8.176   3.222
  220    H    THR  26           HN       THR  26   5.097  -2.826  -0.411
  221    HA   THR  26           HA       THR  26   7.600  -3.208  -1.805
  222    HB   THR  26           HB       THR  26   5.242  -2.899  -2.888
  223    HG1  THR  26           HG1      THR  26   6.909  -1.289  -4.330
  224   HG21  THR  26          HG21      THR  26   4.650  -0.770  -1.875
  225   HG22  THR  26          HG22      THR  26   4.810  -0.579  -3.621
  226   HG23  THR  26          HG23      THR  26   6.096  -0.020  -2.552
  227    H    HIS  27           HN       HIS  27   6.170  -0.840   0.328
  228    HA   HIS  27           HA       HIS  27   8.134   1.192  -0.252
  229    HB2  HIS  27           HB2      HIS  27   6.204   0.909   2.059
  230    HB3  HIS  27           HB1      HIS  27   7.272   2.283   1.829
  231    HD1  HIS  27           HD1      HIS  27   6.784   3.604  -0.624
  232    HD2  HIS  27           HD2      HIS  27   3.780   1.261   1.065
  233    HE1  HIS  27           HE1      HIS  27   4.580   4.391  -1.643
  234    H    THR  28           HN       THR  28   7.572  -1.219   2.251
  235    HA   THR  28           HA       THR  28   9.898  -0.535   3.764
  236    HB   THR  28           HB       THR  28   9.392  -2.827   4.851
  237    HG1  THR  28           HG1      THR  28   6.801  -2.652   3.919
  238   HG21  THR  28          HG21      THR  28   7.323  -0.622   4.898
  239   HG22  THR  28          HG22      THR  28   8.781  -0.703   5.888
  240   HG23  THR  28          HG23      THR  28   7.495  -1.889   6.113
  241    H    GLY  29           HN       GLY  29   9.135  -2.774   1.200
  242    HA2  GLY  29           HA2      GLY  29  11.761  -4.041   1.393
  243    HA3  GLY  29           HA1      GLY  29  10.457  -4.516   0.314
  244    H    GLU  30           HN       GLU  30  11.847  -1.301   0.787
  245    HA   GLU  30           HA       GLU  30  12.681  -1.348  -2.035
  246    HB2  GLU  30           HB2      GLU  30  10.958   0.342  -1.527
  247    HB3  GLU  30           HB1      GLU  30  11.997   1.027  -0.286
  248    HG2  GLU  30           HG2      GLU  30  12.022   2.340  -2.347
  249    HG3  GLU  30           HG1      GLU  30  13.613   1.696  -1.951
  250    H    LYS  31           HN       LYS  31  14.720  -0.633  -2.580
  251    HA   LYS  31           HA       LYS  31  16.595  -0.253  -0.341
  252    HB2  LYS  31           HB2      LYS  31  17.050  -1.844  -2.877
  253    HB3  LYS  31           HB1      LYS  31  18.278  -1.507  -1.667
  254    HG2  LYS  31           HG2      LYS  31  17.038  -2.801  -0.023
  255    HG3  LYS  31           HG1      LYS  31  15.765  -3.105  -1.207
  256    HD2  LYS  31           HD2      LYS  31  17.389  -4.268  -2.635
  257    HD3  LYS  31           HD1      LYS  31  18.646  -3.979  -1.434
  258    HE2  LYS  31           HE2      LYS  31  16.126  -5.575  -0.986
  259    HE3  LYS  31           HE1      LYS  31  17.721  -6.253  -1.300
  260    HZ1  LYS  31           HZ1      LYS  31  16.947  -4.618   1.057
  261    HZ2  LYS  31           HZ2      LYS  31  18.503  -5.200   0.750
  262    HZ3  LYS  31           HZ3      LYS  31  17.242  -6.282   1.047
  263    HN1  NH2  32           HN1      NH2  32  16.376   2.000  -0.705
  264    HN2  NH2  32           HN2      NH2  32  17.119   2.772  -2.065
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1 -14.853   3.381   1.046
    2    H2   ARG   1           HT2      ARG   1 -14.564   4.789   0.160
    3    H3   ARG   1           HT3      ARG   1 -14.395   4.800   1.842
    4    HA   ARG   1           HA       ARG   1 -12.721   3.279  -0.071
    5    HB2  ARG   1           HB2      ARG   1 -12.301   5.715  -0.053
    6    HB3  ARG   1           HB1      ARG   1 -12.060   5.651   1.686
    7    HG2  ARG   1           HG2      ARG   1 -10.153   4.100   1.304
    8    HG3  ARG   1           HG1      ARG   1 -10.355   4.361  -0.430
    9    HD2  ARG   1           HD2      ARG   1  -9.745   6.481   1.628
   10    HD3  ARG   1           HD1      ARG   1  -8.602   5.795   0.476
   11    HE   ARG   1           HE       ARG   1 -10.813   6.860  -0.908
   12   HH11  ARG   1          HH11      ARG   1  -8.046   7.917   0.956
   13   HH12  ARG   1          HH12      ARG   1  -7.879   9.413   0.099
   14   HH21  ARG   1          HH21      ARG   1 -10.616   8.832  -2.026
   15   HH22  ARG   1          HH22      ARG   1  -9.352   9.941  -1.597
   16    HA   PRO   2           HA       PRO   2 -12.662   0.862   3.764
   17    HB2  PRO   2           HB2      PRO   2 -11.331  -1.136   2.078
   18    HB3  PRO   2           HB1      PRO   2 -12.833  -1.266   2.997
   19    HG2  PRO   2           HG2      PRO   2 -12.804  -1.150   0.307
   20    HG3  PRO   2           HG1      PRO   2 -14.114  -0.446   1.271
   21    HD2  PRO   2           HD2      PRO   2 -11.793   0.905  -0.048
   22    HD3  PRO   2           HD1      PRO   2 -13.486   1.427   0.066
   23    H    PHE   3           HN       PHE   3  -9.930   0.875   1.449
   24    HA   PHE   3           HA       PHE   3  -8.123   1.203   3.740
   25    HB2  PHE   3           HB2      PHE   3  -7.736  -0.777   1.482
   26    HB3  PHE   3           HB1      PHE   3  -6.554  -0.424   2.733
   27    HD1  PHE   3           HD1      PHE   3  -9.602  -2.186   1.902
   28    HD2  PHE   3           HD2      PHE   3  -6.990  -1.068   5.065
   29    HE1  PHE   3           HE1      PHE   3 -10.595  -3.922   3.328
   30    HE2  PHE   3           HE2      PHE   3  -7.977  -2.803   6.499
   31    HZ   PHE   3           HZ       PHE   3  -9.882  -4.149   5.663
   32    H    NLE   4           HN       NLE   4  -6.187   2.280   3.304
   33    HA   NLE   4           HA       NLE   4  -5.583   3.166   0.631
   34    HB2  NLE   4           HB1      NLE   4  -5.978   5.333   2.666
   35    HB3  NLE   4           HB2      NLE   4  -7.358   4.740   1.759
   36    HG2  NLE   4           HG1      NLE   4  -6.679   6.587   0.542
   37    HG3  NLE   4           HG2      NLE   4  -5.946   5.246  -0.331
   38    HD2  NLE   4           HD1      NLE   4  -4.308   6.966  -0.160
   39    HD3  NLE   4           HD2      NLE   4  -3.832   5.672   0.950
   40    HE1  NLE   4           HE1      NLE   4  -5.293   8.199   1.716
   41    HE2  NLE   4           HE2      NLE   4  -3.581   7.878   1.985
   42    HE3  NLE   4           HE3      NLE   4  -4.799   6.914   2.817
   43    H    CYS   5           HN       CYS   5  -3.443   3.427   0.409
   44    HA   CYS   5           HA       CYS   5  -1.710   2.814   2.582
   45    HB2  CYS   5           HB2      CYS   5  -1.033   2.114   0.407
   46    HB3  CYS   5           HB1      CYS   5  -1.203   3.738  -0.242
   47    H    THR   6           HN       THR   6  -1.148   4.164   4.120
   48    HA   THR   6           HA       THR   6  -1.534   7.006   3.763
   49    HB   THR   6           HB       THR   6  -0.928   7.063   6.230
   50    HG1  THR   6           HG1      THR   6   0.001   5.265   6.878
   51   HG21  THR   6          HG21      THR   6  -3.246   7.073   5.474
   52   HG22  THR   6          HG22      THR   6  -3.085   6.085   6.926
   53   HG23  THR   6          HG23      THR   6  -3.230   5.314   5.347
   54    H    TRP   7           HN       TRP   7   0.779   5.477   2.506
   55    HA   TRP   7           HA       TRP   7   3.096   6.642   3.768
   56    HB2  TRP   7           HB2      TRP   7   3.028   4.453   2.418
   57    HB3  TRP   7           HB1      TRP   7   3.011   5.482   0.991
   58    HD1  TRP   7           HD1      TRP   7   5.247   6.933   0.504
   59    HE1  TRP   7           HE1      TRP   7   7.691   6.554   1.224
   60    HE3  TRP   7           HE3      TRP   7   4.462   3.592   4.284
   61    HZ2  TRP   7           HZ2      TRP   7   9.098   5.026   3.143
   62    HZ3  TRP   7           HZ3      TRP   7   6.409   2.717   5.511
   63    HH2  TRP   7           HH2      TRP   7   8.673   3.418   4.952
   64    H    SER   8           HN       SER   8   4.060   8.487   3.275
   65    HA   SER   8           HA       SER   8   2.653  10.549   2.046
   66    HB2  SER   8           HB2      SER   8   4.402  10.854   3.770
   67    HB3  SER   8           HB1      SER   8   5.625  10.392   2.588
   68    HG   SER   8           HG       SER   8   5.395  12.668   2.788
   69    H    TYR   9           HN       TYR   9   2.616  11.407   0.066
   70    HA   TYR   9           HA       TYR   9   2.895  11.702  -2.153
   71    HB2  TYR   9           HB2      TYR   9   5.635  10.608  -1.545
   72    HB3  TYR   9           HB1      TYR   9   5.157  11.140  -3.152
   73    HD1  TYR   9           HD1      TYR   9   6.287  12.156   0.104
   74    HD2  TYR   9           HD2      TYR   9   4.489  13.550  -3.486
   75    HE1  TYR   9           HE1      TYR   9   6.887  14.460   0.706
   76    HE2  TYR   9           HE2      TYR   9   5.086  15.859  -2.898
   77    HH   TYR   9           HH       TYR   9   5.613  17.177  -0.898
   78    H    CYS  10           HN       CYS  10   2.219   8.946  -0.840
   79    HA   CYS  10           HA       CYS  10   2.169   7.549  -3.426
   80    HB2  CYS  10           HB2      CYS  10   3.383   6.320  -1.654
   81    HB3  CYS  10           HB1      CYS  10   1.931   6.351  -0.661
   82    H    GLY  11           HN       GLY  11   0.246   7.221  -0.447
   83    HA2  GLY  11           HA2      GLY  11  -2.015   7.246  -0.096
   84    HA3  GLY  11           HA1      GLY  11  -2.025   8.585  -1.224
   85    H    LYS  12           HN       LYS  12  -1.265   5.178  -1.872
   86    HA   LYS  12           HA       LYS  12  -3.242   5.133  -3.981
   87    HB2  LYS  12           HB2      LYS  12  -1.048   4.054  -4.302
   88    HB3  LYS  12           HB1      LYS  12  -1.398   2.951  -2.978
   89    HG2  LYS  12           HG2      LYS  12  -3.159   1.919  -4.203
   90    HG3  LYS  12           HG1      LYS  12  -3.059   3.132  -5.477
   91    HD2  LYS  12           HD2      LYS  12  -0.653   1.487  -4.825
   92    HD3  LYS  12           HD1      LYS  12  -1.954   0.774  -5.778
   93    HE2  LYS  12           HE2      LYS  12  -0.320   1.676  -7.286
   94    HE3  LYS  12           HE1      LYS  12  -1.765   2.679  -7.365
   95    HZ1  LYS  12           HZ1      LYS  12   0.670   3.333  -5.798
   96    HZ2  LYS  12           HZ2      LYS  12  -0.696   4.315  -5.983
   97    HZ3  LYS  12           HZ3      LYS  12   0.286   3.974  -7.311
   98    H    ARG  13           HN       ARG  13  -5.216   4.201  -3.886
   99    HA   ARG  13           HA       ARG  13  -6.110   3.363  -1.236
  100    HB2  ARG  13           HB2      ARG  13  -8.376   3.720  -2.089
  101    HB3  ARG  13           HB1      ARG  13  -7.370   5.139  -2.333
  102    HG2  ARG  13           HG2      ARG  13  -7.076   4.538  -4.680
  103    HG3  ARG  13           HG1      ARG  13  -8.062   3.097  -4.435
  104    HD2  ARG  13           HD2      ARG  13  -9.002   5.931  -4.010
  105    HD3  ARG  13           HD1      ARG  13  -9.313   4.973  -5.458
  106    HE   ARG  13           HE       ARG  13 -10.227   3.459  -3.352
  107   HH11  ARG  13          HH11      ARG  13 -10.906   6.634  -4.651
  108   HH12  ARG  13          HH12      ARG  13 -12.575   6.613  -4.177
  109   HH21  ARG  13          HH21      ARG  13 -12.413   3.418  -2.719
  110   HH22  ARG  13          HH22      ARG  13 -13.437   4.769  -3.080
  111    H    PHE  14           HN       PHE  14  -7.333   1.496  -0.847
  112    HA   PHE  14           HA       PHE  14  -7.378  -0.549  -2.947
  113    HB2  PHE  14           HB2      PHE  14  -6.237  -1.000  -0.177
  114    HB3  PHE  14           HB1      PHE  14  -6.469  -2.238  -1.410
  115    HD1  PHE  14           HD1      PHE  14  -4.334   0.352  -0.161
  116    HD2  PHE  14           HD2      PHE  14  -5.168  -2.101  -3.527
  117    HE1  PHE  14           HE1      PHE  14  -2.089   0.813  -1.048
  118    HE2  PHE  14           HE2      PHE  14  -2.925  -1.638  -4.424
  119    HZ   PHE  14           HZ       PHE  14  -1.408  -0.137  -3.213
  120    H    THR  15           HN       THR  15  -8.714  -2.401  -2.359
  121    HA   THR  15           HA       THR  15 -11.035  -1.515  -0.811
  122    HB   THR  15           HB       THR  15 -12.207  -3.373  -2.073
  123    HG1  THR  15           HG1      THR  15 -11.141  -4.194  -3.886
  124   HG21  THR  15          HG21      THR  15 -12.387  -2.071  -4.153
  125   HG22  THR  15          HG22      THR  15 -10.967  -1.137  -3.681
  126   HG23  THR  15          HG23      THR  15 -12.446  -1.033  -2.729
  127    H    ARG  16           HN       ARG  16  -8.475  -3.795  -0.770
  128    HA   ARG  16           HA       ARG  16  -9.747  -5.145   1.502
  129    HB2  ARG  16           HB2      ARG  16  -8.961  -7.322   0.757
  130    HB3  ARG  16           HB1      ARG  16  -9.995  -6.603  -0.465
  131    HG2  ARG  16           HG2      ARG  16  -7.910  -5.867  -1.648
  132    HG3  ARG  16           HG1      ARG  16  -7.004  -6.858  -0.505
  133    HD2  ARG  16           HD2      ARG  16  -7.381  -8.101  -2.543
  134    HD3  ARG  16           HD1      ARG  16  -8.303  -8.829  -1.230
  135    HE   ARG  16           HE       ARG  16 -10.246  -7.513  -2.176
  136   HH11  ARG  16          HH11      ARG  16  -7.583  -8.637  -4.167
  137   HH12  ARG  16          HH12      ARG  16  -8.533  -8.701  -5.615
  138   HH21  ARG  16          HH21      ARG  16 -11.485  -7.584  -4.083
  139   HH22  ARG  16          HH22      ARG  16 -10.751  -8.084  -5.575
  140    H    SER  17           HN       SER  17  -8.353  -5.992   3.049
  141    HA   SER  17           HA       SER  17  -6.202  -4.233   3.582
  142    HB2  SER  17           HB2      SER  17  -5.929  -5.743   5.624
  143    HB3  SER  17           HB1      SER  17  -7.487  -4.942   5.433
  144    HG   SER  17           HG       SER  17  -7.288  -7.387   5.875
  145    H    ASP  18           HN       ASP  18  -6.352  -7.573   2.482
  146    HA   ASP  18           HA       ASP  18  -3.628  -8.185   2.920
  147    HB2  ASP  18           HB2      ASP  18  -5.631  -9.350   0.985
  148    HB3  ASP  18           HB1      ASP  18  -3.997  -9.971   1.168
  149    H    GLU  19           HN       GLU  19  -5.347  -6.681   0.268
  150    HA   GLU  19           HA       GLU  19  -3.185  -6.657  -1.563
  151    HB2  GLU  19           HB2      GLU  19  -5.573  -6.330  -2.195
  152    HB3  GLU  19           HB1      GLU  19  -5.531  -4.762  -1.407
  153    HG2  GLU  19           HG2      GLU  19  -5.291  -4.538  -3.798
  154    HG3  GLU  19           HG1      GLU  19  -3.834  -4.006  -2.964
  155    H    LEU  20           HN       LEU  20  -4.505  -4.212   0.659
  156    HA   LEU  20           HA       LEU  20  -2.583  -2.237   0.229
  157    HB2  LEU  20           HB2      LEU  20  -4.532  -1.675   1.465
  158    HB3  LEU  20           HB1      LEU  20  -4.235  -2.939   2.641
  159    HG   LEU  20           HG       LEU  20  -2.239  -1.696   3.434
  160   HD11  LEU  20          HD11      LEU  20  -1.874   0.586   2.740
  161   HD12  LEU  20          HD12      LEU  20  -3.229   0.492   1.618
  162   HD13  LEU  20          HD13      LEU  20  -1.786  -0.483   1.340
  163   HD21  LEU  20          HD21      LEU  20  -4.754  -0.045   3.463
  164   HD22  LEU  20          HD22      LEU  20  -3.447  -0.010   4.646
  165   HD23  LEU  20          HD23      LEU  20  -4.461  -1.446   4.492
  166    H    GLN  21           HN       GLN  21  -2.589  -4.993   2.447
  167    HA   GLN  21           HA       GLN  21  -0.195  -4.350   3.778
  168    HB2  GLN  21           HB2      GLN  21  -1.870  -6.018   4.569
  169    HB3  GLN  21           HB1      GLN  21  -1.335  -7.106   3.295
  170    HG2  GLN  21           HG2      GLN  21  -0.335  -7.669   5.442
  171    HG3  GLN  21           HG1      GLN  21   0.885  -7.191   4.262
  172   HE21  GLN  21          HE21      GLN  21   1.991  -5.262   4.540
  173   HE22  GLN  21          HE22      GLN  21   1.976  -4.394   6.037
  174    H    ARG  22           HN       ARG  22  -0.824  -6.421   0.962
  175    HA   ARG  22           HA       ARG  22   1.818  -7.195   0.449
  176    HB2  ARG  22           HB2      ARG  22  -0.511  -6.727  -1.411
  177    HB3  ARG  22           HB1      ARG  22   1.044  -7.322  -1.974
  178    HG2  ARG  22           HG2      ARG  22   0.821  -9.293  -0.582
  179    HG3  ARG  22           HG1      ARG  22  -0.710  -8.687   0.058
  180    HD2  ARG  22           HD2      ARG  22  -1.673  -8.739  -2.187
  181    HD3  ARG  22           HD1      ARG  22  -0.142  -9.324  -2.835
  182    HE   ARG  22           HE       ARG  22  -0.916 -11.100  -0.843
  183   HH11  ARG  22          HH11      ARG  22  -2.109  -9.992  -3.946
  184   HH12  ARG  22          HH12      ARG  22  -2.900 -11.488  -4.324
  185   HH21  ARG  22          HH21      ARG  22  -1.938 -13.086  -1.346
  186   HH22  ARG  22          HH22      ARG  22  -2.801 -13.249  -2.843
  187    H    HIS  23           HN       HIS  23  -0.034  -4.400  -0.619
  188    HA   HIS  23           HA       HIS  23   1.963  -3.222  -2.190
  189    HB2  HIS  23           HB2      HIS  23  -0.281  -2.466  -2.466
  190    HB3  HIS  23           HB1      HIS  23  -0.430  -2.066  -0.756
  191    HD1  HIS  23           HD1      HIS  23   0.858  -0.689  -4.007
  192    HD2  HIS  23           HD2      HIS  23   0.806   0.287   0.046
  193    HE1  HIS  23           HE1      HIS  23   1.741   1.698  -3.814
  194    H    LYS  24           HN       LYS  24   1.165  -2.767   1.255
  195    HA   LYS  24           HA       LYS  24   2.961  -0.707   1.804
  196    HB2  LYS  24           HB2      LYS  24   2.013  -2.965   3.566
  197    HB3  LYS  24           HB1      LYS  24   2.985  -1.627   4.159
  198    HG2  LYS  24           HG2      LYS  24   1.216  -0.061   3.465
  199    HG3  LYS  24           HG1      LYS  24   0.239  -1.429   2.934
  200    HD2  LYS  24           HD2      LYS  24  -0.509  -0.758   5.112
  201    HD3  LYS  24           HD1      LYS  24   0.313  -2.313   5.257
  202    HE2  LYS  24           HE2      LYS  24   0.964  -0.828   7.074
  203    HE3  LYS  24           HE1      LYS  24   2.339  -1.168   6.026
  204    HZ1  LYS  24           HZ1      LYS  24   0.681   1.296   5.924
  205    HZ2  LYS  24           HZ2      LYS  24   2.040   0.972   4.971
  206    HZ3  LYS  24           HZ3      LYS  24   2.209   1.175   6.638
  207    H    ARG  25           HN       ARG  25   3.494  -4.101   1.332
  208    HA   ARG  25           HA       ARG  25   6.106  -4.192   2.448
  209    HB2  ARG  25           HB2      ARG  25   4.730  -6.013   0.473
  210    HB3  ARG  25           HB1      ARG  25   6.272  -6.365   1.244
  211    HG2  ARG  25           HG2      ARG  25   5.213  -6.333   3.422
  212    HG3  ARG  25           HG1      ARG  25   3.670  -5.919   2.685
  213    HD2  ARG  25           HD2      ARG  25   3.715  -8.054   1.457
  214    HD3  ARG  25           HD1      ARG  25   5.229  -8.463   2.260
  215    HE   ARG  25           HE       ARG  25   3.735  -8.078   4.375
  216   HH11  ARG  25          HH11      ARG  25   2.875  -9.712   1.401
  217   HH12  ARG  25          HH12      ARG  25   1.715 -10.755   2.158
  218   HH21  ARG  25          HH21      ARG  25   1.323 -10.594   4.415
  219   HH22  ARG  25          HH22      ARG  25   2.199  -9.443   5.374
  220    H    THR  26           HN       THR  26   4.969  -2.674  -0.314
  221    HA   THR  26           HA       THR  26   7.393  -3.033  -1.857
  222    HB   THR  26           HB       THR  26   4.993  -2.550  -2.806
  223    HG1  THR  26           HG1      THR  26   7.470  -1.499  -3.695
  224   HG21  THR  26          HG21      THR  26   4.633  -0.174  -3.336
  225   HG22  THR  26          HG22      THR  26   6.015   0.253  -2.327
  226   HG23  THR  26          HG23      THR  26   4.581  -0.470  -1.598
  227    H    HIS  27           HN       HIS  27   6.226  -0.945   0.617
  228    HA   HIS  27           HA       HIS  27   8.283   1.054   0.066
  229    HB2  HIS  27           HB2      HIS  27   6.198   0.949   2.255
  230    HB3  HIS  27           HB1      HIS  27   7.336   2.264   2.013
  231    HD1  HIS  27           HD1      HIS  27   7.013   3.486  -0.526
  232    HD2  HIS  27           HD2      HIS  27   3.837   1.335   1.115
  233    HE1  HIS  27           HE1      HIS  27   4.894   4.304  -1.689
  234    H    THR  28           HN       THR  28   7.335  -1.267   2.562
  235    HA   THR  28           HA       THR  28   9.921  -0.905   3.882
  236    HB   THR  28           HB       THR  28   7.507  -2.467   4.824
  237    HG1  THR  28           HG1      THR  28   8.409   0.162   5.482
  238   HG21  THR  28          HG21      THR  28   8.595  -2.358   7.022
  239   HG22  THR  28          HG22      THR  28   9.976  -1.534   6.300
  240   HG23  THR  28          HG23      THR  28   9.609  -3.200   5.851
  241    H    GLY  29           HN       GLY  29  11.240  -2.026   2.445
  242    HA2  GLY  29           HA2      GLY  29  12.379  -4.187   2.369
  243    HA3  GLY  29           HA1      GLY  29  10.791  -4.943   2.347
  244    H    GLU  30           HN       GLU  30  13.249  -4.736   0.445
  245    HA   GLU  30           HA       GLU  30  11.845  -3.734  -1.926
  246    HB2  GLU  30           HB2      GLU  30  14.765  -4.321  -1.439
  247    HB3  GLU  30           HB1      GLU  30  14.112  -3.844  -2.999
  248    HG2  GLU  30           HG2      GLU  30  13.977  -2.206  -0.478
  249    HG3  GLU  30           HG1      GLU  30  15.125  -1.969  -1.794
  250    H    LYS  31           HN       LYS  31  11.872  -6.530  -0.431
  251    HA   LYS  31           HA       LYS  31  12.062  -8.048  -2.943
  252    HB2  LYS  31           HB2      LYS  31  13.845  -8.677  -1.345
  253    HB3  LYS  31           HB1      LYS  31  12.615  -9.098  -0.161
  254    HG2  LYS  31           HG2      LYS  31  13.522 -11.065  -1.305
  255    HG3  LYS  31           HG1      LYS  31  11.792 -10.867  -1.592
  256    HD2  LYS  31           HD2      LYS  31  12.283  -9.829  -3.763
  257    HD3  LYS  31           HD1      LYS  31  14.006 -10.065  -3.477
  258    HE2  LYS  31           HE2      LYS  31  13.703 -12.463  -3.447
  259    HE3  LYS  31           HE1      LYS  31  11.959 -12.274  -3.612
  260    HZ1  LYS  31           HZ1      LYS  31  13.034 -12.814  -5.722
  261    HZ2  LYS  31           HZ2      LYS  31  13.966 -11.409  -5.623
  262    HZ3  LYS  31           HZ3      LYS  31  12.288 -11.300  -5.781
  263    HN1  NH2  32           HN1      NH2  32  10.781  -8.813   0.260
  264    HN2  NH2  32           HN2      NH2  32   9.170  -9.156  -0.274