*HEADER    DNA BINDING PROTEIN                     19-JUL-19   6PV2              
*TITLE     BACKBONE-MODIFIED VARIANT OF ZINC FINGER 2 FROM THE TRANSCRIPTION     
*TITLE    2 FACTOR SP1 DNA BINDING DOMAIN: ORN IN THE METAL-BINDING TURN         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTION FACTOR SP1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DNA-BINDING DOMAIN, 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, PROTEOMIMETIC, FOLDAMER, DNA BINDING PROTEIN             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.R.RAO,W.S.HORNE                                                     
*REVDAT   1   24-JUN-20 6PV2    0                                                
# Restraints file 1: wsh2032_ambig.tbl
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name  HE2) 1.703 0.362 0.362 weight 1.000 ! spec=NOESY, no=5, id=2, vol=1.060000e+09
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HB2)
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name  HB2) 1.954 0.477 0.477 weight 1.000 ! spec=NOESY, no=14, id=11, vol=4.640000e+08
    or (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name  HB1)
    or (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HB2)
    or (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HN) 2.310 0.667 0.667 weight 1.000 ! spec=NOESY, no=52, id=49, vol=1.700000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   13 and name  HE1) 2.397 0.718 0.718 weight 1.000 ! spec=NOESY, no=75, id=72, vol=1.360000e+08
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   13 and name  HE1)
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HA) 2.476 0.766 0.766 weight 1.000 ! spec=NOESY, no=97, id=94, vol=1.120000e+08
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   30 and name   HN) 2.491 0.776 0.776 weight 1.000 ! spec=NOESY, no=103, id=100, vol=1.080000e+08
    or (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name   HN) 2.523 0.796 0.796 weight 1.000 ! spec=NOESY, no=115, id=112, vol=1.000000e+08
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   11 and name   HN) 2.551 0.814 0.814 weight 1.000 ! spec=NOESY, no=127, id=124, vol=9.360000e+07
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   13 and name  HE1) 2.554 0.815 0.815 weight 1.000 ! spec=NOESY, no=129, id=126, vol=9.300000e+07
    or (segid "    " and resid   11 and name  HG2) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   13 and name  HE1)
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HE1)
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name   HN) 2.564 0.822 0.822 weight 1.000 ! spec=NOESY, no=137, id=134, vol=9.080000e+07
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name   HA) 2.588 0.837 0.837 weight 1.000 ! spec=NOESY, no=149, id=146, vol=8.600000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name   HA)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name   HA) 2.628 0.863 0.863 weight 1.000 ! spec=NOESY, no=165, id=162, vol=7.840000e+07
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name   HA)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   13 and name  HD1) 2.695 0.908 0.908 weight 1.000 ! spec=NOESY, no=199, id=196, vol=6.740000e+07
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name   HN) 2.723 0.927 0.927 weight 1.000 ! spec=NOESY, no=212, id=209, vol=6.330000e+07
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.737 0.936 0.936 weight 1.000 ! spec=NOESY, no=221, id=218, vol=6.140000e+07
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name   HA) 2.819 0.994 0.994 weight 1.000 ! spec=NOESY, no=254, id=250, vol=5.140000e+07
    or (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name   HA)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HN) 2.858 1.021 1.021 weight 1.000 ! spec=NOESY, no=269, id=265, vol=4.740000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   21 and name   HN) 2.866 1.027 1.027 weight 1.000 ! spec=NOESY, no=273, id=269, vol=4.660000e+07
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HN) 2.899 1.051 1.051 weight 1.000 ! spec=NOESY, no=285, id=281, vol=4.350000e+07
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   19 and name HD22) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   19 and name HD21) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   19 and name HD23) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HE) 2.946 1.085 1.085 weight 1.000 ! spec=NOESY, no=306, id=302, vol=3.950000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HE)
    or (segid "    " and resid   26 and name  HB1) (segid "    " and resid    7 and name  HH2)
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HN) 2.978 1.109 1.109 weight 1.000 ! spec=NOESY, no=315, id=311, vol=3.700000e+07
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   21 and name  HG2) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN) 3.023 1.143 1.143 weight 1.000 ! spec=NOESY, no=335, id=331, vol=3.380000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN) 3.031 1.148 1.148 weight 1.000 ! spec=NOESY, no=336, id=332, vol=3.330000e+07
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   21 and name   HN) 3.072 1.180 1.180 weight 1.000 ! spec=NOESY, no=356, id=351, vol=3.070000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   25 and name   HN)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid   13 and name   HN) 3.124 1.220 1.220 weight 1.000 ! spec=NOESY, no=376, id=371, vol=2.780000e+07
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   19 and name HD12) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   19 and name   HN) 3.137 1.230 1.230 weight 1.000 ! spec=NOESY, no=379, id=374, vol=2.710000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HE1) 3.139 1.232 1.232 weight 1.000 ! spec=NOESY, no=380, id=375, vol=2.700000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid    7 and name  HE3)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name  HD1) 3.281 1.346 1.346 weight 1.000 ! spec=NOESY, no=413, id=408, vol=2.070000e+07
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid   12 and name   HE)
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid   12 and name   HE)
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   15 and name  HG2) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   15 and name  HG2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid    7 and name  HZ3) 3.334 1.389 1.389 weight 1.000 ! spec=NOESY, no=426, id=421, vol=1.880000e+07
    or (segid "    " and resid   27 and name HG22) (segid "    " and resid    7 and name  HZ3)
    or (segid "    " and resid   27 and name HG23) (segid "    " and resid    7 and name  HZ3)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid   17 and name   HN) 3.358 1.410 1.410 weight 1.000 ! spec=NOESY, no=433, id=427, vol=1.800000e+07
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid    7 and name  HE3) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   26 and name   HN) 3.377 1.426 1.426 weight 1.000 ! spec=NOESY, no=440, id=434, vol=1.740000e+07
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   27 and name HG21) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   27 and name HG22) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   27 and name HG23) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid   21 and name   HN) 3.397 1.443 1.443 weight 1.000 ! spec=NOESY, no=443, id=437, vol=1.680000e+07
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   19 and name HD12) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   23 and name   HN) 3.418 1.460 1.460 weight 1.000 ! spec=NOESY, no=447, id=441, vol=1.620000e+07
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   26 and name  HE1) 3.462 1.498 1.498 weight 1.000 ! spec=NOESY, no=455, id=449, vol=1.500000e+07
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   23 and name   HN) 3.485 1.519 1.519 weight 1.000 ! spec=NOESY, no=461, id=455, vol=1.440000e+07
    or (segid "    " and resid   26 and name  HD2) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid    4 and name  HB2) 3.640 1.656 1.656 weight 1.000 ! spec=NOESY, no=476, id=470, vol=1.110000e+07
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HG2)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   11 and name   HN) 3.698 1.709 1.709 weight 1.000 ! spec=NOESY, no=478, id=472, vol=1.010000e+07
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   26 and name  HE1)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN) 3.708 1.718 1.718 weight 1.000 ! spec=NOESY, no=479, id=473, vol=9.940000e+06
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name   HN) 3.709 1.719 1.719 weight 1.000 ! spec=NOESY, no=480, id=474, vol=9.920000e+06
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   25 and name   HN)
# Restraints file 2: wsh2032_unambig.tbl
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HB2) 1.569 0.308 0.308 weight 1.000 ! spec=NOESY, no=3, id=0, vol=1.730000e+09
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HD2) 1.680 0.353 0.353 weight 1.000 ! spec=NOESY, no=4, id=1, vol=1.150000e+09
assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name  HB2) 1.732 0.375 0.375 weight 1.000 ! spec=NOESY, no=6, id=3, vol=9.580000e+08
    or (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name  HB1)
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HB2) 1.763 0.389 0.389 weight 1.000 ! spec=NOESY, no=7, id=4, vol=8.590000e+08
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name  HB2) 1.821 0.414 0.414 weight 1.000 ! spec=NOESY, no=8, id=5, vol=7.090000e+08
assign (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name  HD2) 1.839 0.423 0.423 weight 1.000 ! spec=NOESY, no=9, id=6, vol=6.680000e+08
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    2 and name  HD2) 1.855 0.430 0.430 weight 1.000 ! spec=NOESY, no=10, id=7, vol=6.330000e+08
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HB2) 1.865 0.435 0.435 weight 1.000 ! spec=NOESY, no=11, id=8, vol=6.130000e+08
assign (segid "    " and resid   13 and name  HE1) (segid "    " and resid   13 and name  HD1) 1.930 0.466 0.466 weight 1.000 ! spec=NOESY, no=12, id=9, vol=4.990000e+08
    or (segid "    " and resid   13 and name  HE1) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HB2) 1.946 0.474 0.474 weight 1.000 ! spec=NOESY, no=13, id=10, vol=4.750000e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name  HB2) 1.962 0.481 0.481 weight 1.000 ! spec=NOESY, no=15, id=12, vol=4.530000e+08
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   13 and name  HE1) 2.013 0.507 0.507 weight 1.000 ! spec=NOESY, no=16, id=13, vol=3.880000e+08
    or (segid "    " and resid   13 and name   HZ) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HN) 2.044 0.522 0.522 weight 1.000 ! spec=NOESY, no=17, id=14, vol=3.540000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.048 0.524 0.524 weight 1.000 ! spec=NOESY, no=18, id=15, vol=3.500000e+08
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA)
assign (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG21) 2.088 0.545 0.545 weight 1.000 ! spec=NOESY, no=19, id=16, vol=3.120000e+08
    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    2 and name  HB1) (segid "    " and resid    2 and name  HB2) 2.091 0.546 0.546 weight 1.000 ! spec=NOESY, no=20, id=17, vol=3.090000e+08
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name  HG2) 2.104 0.553 0.553 weight 1.000 ! spec=NOESY, no=21, id=18, vol=2.980000e+08
    or (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name  HG1)
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name HD12) 2.116 0.559 0.559 weight 1.000 ! spec=NOESY, no=22, id=19, vol=2.880000e+08
    or (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.137 0.571 0.571 weight 1.000 ! spec=NOESY, no=23, id=20, vol=2.710000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN) 2.146 0.576 0.576 weight 1.000 ! spec=NOESY, no=24, id=21, vol=2.640000e+08
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name HD22) 2.151 0.578 0.578 weight 1.000 ! spec=NOESY, no=25, id=22, vol=2.610000e+08
    or (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.153 0.580 0.580 weight 1.000 ! spec=NOESY, no=26, id=23, vol=2.590000e+08
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD1) 2.169 0.588 0.588 weight 1.000 ! spec=NOESY, no=27, id=24, vol=2.480000e+08
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HB) 2.178 0.593 0.593 weight 1.000 ! spec=NOESY, no=28, id=25, vol=2.420000e+08
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   25 and name   HB)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   25 and name   HB)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HE) 2.195 0.602 0.602 weight 1.000 ! spec=NOESY, no=29, id=26, vol=2.310000e+08
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD1) 2.221 0.617 0.617 weight 1.000 ! spec=NOESY, no=30, id=27, vol=2.150000e+08
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name  HD2) 2.223 0.618 0.618 weight 1.000 ! spec=NOESY, no=31, id=28, vol=2.140000e+08
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   22 and name  HD2) 2.226 0.620 0.620 weight 1.000 ! spec=NOESY, no=32, id=29, vol=2.120000e+08
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.235 0.625 0.625 weight 1.000 ! spec=NOESY, no=33, id=30, vol=2.070000e+08
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name   HA) 2.241 0.628 0.628 weight 1.000 ! spec=NOESY, no=34, id=31, vol=2.040000e+08
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HA) 2.250 0.633 0.633 weight 1.000 ! spec=NOESY, no=35, id=32, vol=1.990000e+08
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HN) 2.254 0.635 0.635 weight 1.000 ! spec=NOESY, no=36, id=33, vol=1.970000e+08
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HD2) 2.263 0.640 0.640 weight 1.000 ! spec=NOESY, no=37, id=34, vol=1.920000e+08
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HD1)
assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name  HG2) 2.263 0.640 0.640 weight 1.000 ! spec=NOESY, no=38, id=35, vol=1.920000e+08
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD1) 2.265 0.642 0.642 weight 1.000 ! spec=NOESY, no=39, id=36, vol=1.910000e+08
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD1) 2.280 0.650 0.650 weight 1.000 ! spec=NOESY, no=40, id=37, vol=1.840000e+08
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HA) 2.282 0.651 0.651 weight 1.000 ! spec=NOESY, no=41, id=38, vol=1.830000e+08
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HA)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.282 0.651 0.651 weight 1.000 ! spec=NOESY, no=42, id=39, vol=1.830000e+08
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.282 0.651 0.651 weight 1.000 ! spec=NOESY, no=43, id=40, vol=1.830000e+08
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid    8 and name   HA) 2.292 0.657 0.657 weight 1.000 ! spec=NOESY, no=44, id=41, vol=1.780000e+08
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG21) 2.294 0.658 0.658 weight 1.000 ! spec=NOESY, no=45, id=42, vol=1.770000e+08
    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    7 and name  HD1) (segid "    " and resid    7 and name  HE1) 2.297 0.659 0.659 weight 1.000 ! spec=NOESY, no=46, id=43, vol=1.760000e+08
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.303 0.663 0.663 weight 1.000 ! spec=NOESY, no=48, id=45, vol=1.730000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name  HD1) 2.305 0.664 0.664 weight 1.000 ! spec=NOESY, no=49, id=46, vol=1.720000e+08
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HD1)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HN) 2.308 0.666 0.666 weight 1.000 ! spec=NOESY, no=50, id=47, vol=1.710000e+08
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD12) 2.310 0.667 0.667 weight 1.000 ! spec=NOESY, no=51, id=48, vol=1.700000e+08
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HA) 2.310 0.667 0.667 weight 1.000 ! spec=NOESY, no=53, id=50, vol=1.700000e+08
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   25 and name   HA)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HA) 2.312 0.668 0.668 weight 1.000 ! spec=NOESY, no=54, id=51, vol=1.690000e+08
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name   HA) 2.314 0.670 0.670 weight 1.000 ! spec=NOESY, no=55, id=52, vol=1.680000e+08
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA) 2.319 0.672 0.672 weight 1.000 ! spec=NOESY, no=56, id=53, vol=1.660000e+08
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   10 and name   HN) 2.324 0.675 0.675 weight 1.000 ! spec=NOESY, no=57, id=54, vol=1.640000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HG1) 2.326 0.676 0.676 weight 1.000 ! spec=NOESY, no=58, id=55, vol=1.630000e+08
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HG1)
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HD2) 2.331 0.679 0.679 weight 1.000 ! spec=NOESY, no=59, id=56, vol=1.610000e+08
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid    3 and name  HB1) 2.333 0.681 0.681 weight 1.000 ! spec=NOESY, no=60, id=57, vol=1.600000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.338 0.683 0.683 weight 1.000 ! spec=NOESY, no=61, id=58, vol=1.580000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HN) 2.341 0.685 0.685 weight 1.000 ! spec=NOESY, no=62, id=59, vol=1.570000e+08
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.343 0.686 0.686 weight 1.000 ! spec=NOESY, no=63, id=60, vol=1.560000e+08
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HN) 2.359 0.695 0.695 weight 1.000 ! spec=NOESY, no=65, id=62, vol=1.500000e+08
assign (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name   HE) 2.366 0.700 0.700 weight 1.000 ! spec=NOESY, no=66, id=63, vol=1.470000e+08
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HA) 2.369 0.702 0.702 weight 1.000 ! spec=NOESY, no=67, id=64, vol=1.460000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HD1) 2.369 0.702 0.702 weight 1.000 ! spec=NOESY, no=68, id=65, vol=1.460000e+08
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HD1) 2.369 0.702 0.702 weight 1.000 ! spec=NOESY, no=69, id=66, vol=1.460000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.375 0.705 0.705 weight 1.000 ! spec=NOESY, no=70, id=67, vol=1.440000e+08
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HA) 2.377 0.707 0.707 weight 1.000 ! spec=NOESY, no=71, id=68, vol=1.430000e+08
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HA) 2.380 0.708 0.708 weight 1.000 ! spec=NOESY, no=72, id=69, vol=1.420000e+08
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name HG21) 2.380 0.708 0.708 weight 1.000 ! spec=NOESY, no=73, id=70, vol=1.420000e+08
    or (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name HG22)
    or (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name HG23)
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD2) 2.389 0.713 0.713 weight 1.000 ! spec=NOESY, no=74, id=71, vol=1.390000e+08
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD2)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid   13 and name  HD1) 2.403 0.722 0.722 weight 1.000 ! spec=NOESY, no=76, id=73, vol=1.340000e+08
    or (segid "    " and resid   19 and name HD12) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB2) 2.409 0.726 0.726 weight 1.000 ! spec=NOESY, no=77, id=74, vol=1.320000e+08
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=NOESY, no=79, id=76, vol=1.300000e+08
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN) 2.419 0.731 0.731 weight 1.000 ! spec=NOESY, no=80, id=77, vol=1.290000e+08
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HN) 2.419 0.731 0.731 weight 1.000 ! spec=NOESY, no=81, id=78, vol=1.290000e+08
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HN) 2.425 0.735 0.735 weight 1.000 ! spec=NOESY, no=82, id=79, vol=1.270000e+08
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   25 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.428 0.737 0.737 weight 1.000 ! spec=NOESY, no=83, id=80, vol=1.260000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB1) 2.441 0.745 0.745 weight 1.000 ! spec=NOESY, no=84, id=81, vol=1.220000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name  HD2) 2.445 0.747 0.747 weight 1.000 ! spec=NOESY, no=85, id=82, vol=1.210000e+08
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HD2)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HN) 2.445 0.747 0.747 weight 1.000 ! spec=NOESY, no=86, id=83, vol=1.210000e+08
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD22) 2.451 0.751 0.751 weight 1.000 ! spec=NOESY, no=87, id=84, vol=1.190000e+08
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   19 and name HD12) 2.451 0.751 0.751 weight 1.000 ! spec=NOESY, no=88, id=85, vol=1.190000e+08
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.455 0.753 0.753 weight 1.000 ! spec=NOESY, no=89, id=86, vol=1.180000e+08
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   17 and name   HA) 2.455 0.753 0.753 weight 1.000 ! spec=NOESY, no=90, id=87, vol=1.180000e+08
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   17 and name   HA)
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HB) 2.455 0.753 0.753 weight 1.000 ! spec=NOESY, no=91, id=88, vol=1.180000e+08
    or (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HB)
    or (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HB)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.458 0.755 0.755 weight 1.000 ! spec=NOESY, no=92, id=89, vol=1.170000e+08
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid   22 and name  HD2) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=93, id=90, vol=1.160000e+08
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HG2) 2.465 0.760 0.760 weight 1.000 ! spec=NOESY, no=94, id=91, vol=1.150000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD1) 2.473 0.764 0.764 weight 1.000 ! spec=NOESY, no=95, id=92, vol=1.130000e+08
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    2 and name  HD2) (segid "    " and resid    1 and name   HA) 2.473 0.764 0.764 weight 1.000 ! spec=NOESY, no=96, id=93, vol=1.130000e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.476 0.766 0.766 weight 1.000 ! spec=NOESY, no=98, id=95, vol=1.120000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 2.480 0.769 0.769 weight 1.000 ! spec=NOESY, no=99, id=96, vol=1.110000e+08
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HA) 2.487 0.773 0.773 weight 1.000 ! spec=NOESY, no=101, id=98, vol=1.090000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   19 and name HD12) 2.487 0.773 0.773 weight 1.000 ! spec=NOESY, no=102, id=99, vol=1.090000e+08
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name   HN) 2.495 0.778 0.778 weight 1.000 ! spec=NOESY, no=104, id=101, vol=1.070000e+08
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   26 and name  HE1) 2.495 0.778 0.778 weight 1.000 ! spec=NOESY, no=105, id=102, vol=1.070000e+08
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HD2) 2.499 0.781 0.781 weight 1.000 ! spec=NOESY, no=106, id=103, vol=1.060000e+08
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HD1)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HD2)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD2) 2.503 0.783 0.783 weight 1.000 ! spec=NOESY, no=107, id=104, vol=1.050000e+08
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name  HD2) 2.507 0.786 0.786 weight 1.000 ! spec=NOESY, no=108, id=105, vol=1.040000e+08
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   10 and name   HN) 2.507 0.786 0.786 weight 1.000 ! spec=NOESY, no=109, id=106, vol=1.040000e+08
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   13 and name   HN) 2.511 0.788 0.788 weight 1.000 ! spec=NOESY, no=110, id=107, vol=1.030000e+08
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HN) 2.511 0.788 0.788 weight 1.000 ! spec=NOESY, no=111, id=108, vol=1.030000e+08
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.519 0.793 0.793 weight 1.000 ! spec=NOESY, no=112, id=109, vol=1.010000e+08
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HD2) 2.519 0.793 0.793 weight 1.000 ! spec=NOESY, no=113, id=110, vol=1.010000e+08
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name  HD2) 2.519 0.793 0.793 weight 1.000 ! spec=NOESY, no=114, id=111, vol=1.010000e+08
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HD2) 2.525 0.797 0.797 weight 1.000 ! spec=NOESY, no=116, id=113, vol=9.960000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   19 and name HD22) 2.527 0.798 0.798 weight 1.000 ! spec=NOESY, no=117, id=114, vol=9.920000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HN) 2.532 0.801 0.801 weight 1.000 ! spec=NOESY, no=118, id=115, vol=9.800000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HG2) 2.534 0.803 0.803 weight 1.000 ! spec=NOESY, no=119, id=116, vol=9.750000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.541 0.807 0.807 weight 1.000 ! spec=NOESY, no=120, id=117, vol=9.600000e+07
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HA) 2.545 0.809 0.809 weight 1.000 ! spec=NOESY, no=121, id=118, vol=9.510000e+07
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HD2) 2.545 0.809 0.809 weight 1.000 ! spec=NOESY, no=122, id=119, vol=9.510000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HD1)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG2) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=123, id=120, vol=9.460000e+07
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid   13 and name  HE1) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=124, id=121, vol=9.450000e+07
    or (segid "    " and resid   19 and name HD12) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   13 and name  HE1)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   13 and name  HE1)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=125, id=122, vol=9.450000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.550 0.813 0.813 weight 1.000 ! spec=NOESY, no=126, id=123, vol=9.390000e+07
assign (segid "    " and resid   28 and name  HA1) (segid "    " and resid   28 and name   HN) 2.553 0.815 0.815 weight 1.000 ! spec=NOESY, no=128, id=125, vol=9.320000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.556 0.816 0.816 weight 1.000 ! spec=NOESY, no=130, id=127, vol=9.270000e+07
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid    3 and name  HD1) 2.556 0.817 0.817 weight 1.000 ! spec=NOESY, no=131, id=128, vol=9.260000e+07
    or (segid "    " and resid   19 and name HD22) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid   19 and name HD21) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   19 and name HD21) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid   19 and name HD23) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   19 and name HD23) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA) 2.558 0.818 0.818 weight 1.000 ! spec=NOESY, no=132, id=129, vol=9.220000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HA) 2.560 0.819 0.819 weight 1.000 ! spec=NOESY, no=133, id=130, vol=9.180000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN) 2.562 0.820 0.820 weight 1.000 ! spec=NOESY, no=134, id=131, vol=9.140000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name HG21) 2.562 0.821 0.821 weight 1.000 ! spec=NOESY, no=135, id=132, vol=9.120000e+07
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name HG22)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name HG23)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   13 and name  HD1) 2.564 0.822 0.822 weight 1.000 ! spec=NOESY, no=136, id=133, vol=9.090000e+07
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name   HN) 2.566 0.823 0.823 weight 1.000 ! spec=NOESY, no=138, id=135, vol=9.050000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   13 and name  HE1) (segid "    " and resid   22 and name  HD2) 2.568 0.824 0.824 weight 1.000 ! spec=NOESY, no=139, id=136, vol=9.010000e+07
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name  HD1) 2.569 0.825 0.825 weight 1.000 ! spec=NOESY, no=140, id=137, vol=8.980000e+07
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name  HD1)
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid    8 and name   HE) 2.570 0.825 0.825 weight 1.000 ! spec=NOESY, no=141, id=138, vol=8.970000e+07
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HA) 2.574 0.828 0.828 weight 1.000 ! spec=NOESY, no=142, id=139, vol=8.880000e+07
    or (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HA)
    or (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HA)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid   13 and name   HN) 2.576 0.829 0.829 weight 1.000 ! spec=NOESY, no=143, id=140, vol=8.840000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   15 and name   HN) 2.577 0.830 0.830 weight 1.000 ! spec=NOESY, no=144, id=141, vol=8.810000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HA) 2.579 0.831 0.831 weight 1.000 ! spec=NOESY, no=145, id=142, vol=8.780000e+07
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name   HA) 2.579 0.832 0.832 weight 1.000 ! spec=NOESY, no=146, id=143, vol=8.770000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   20 and name   HA)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name   HN) 2.582 0.833 0.833 weight 1.000 ! spec=NOESY, no=147, id=144, vol=8.710000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=NOESY, no=148, id=145, vol=8.640000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HN) 2.591 0.839 0.839 weight 1.000 ! spec=NOESY, no=150, id=147, vol=8.530000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   20 and name   HN) 2.591 0.839 0.839 weight 1.000 ! spec=NOESY, no=151, id=148, vol=8.530000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   13 and name  HB2) 2.592 0.840 0.840 weight 1.000 ! spec=NOESY, no=152, id=149, vol=8.510000e+07
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   13 and name  HB2)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA) 2.594 0.841 0.841 weight 1.000 ! spec=NOESY, no=153, id=150, vol=8.480000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 2.594 0.841 0.841 weight 1.000 ! spec=NOESY, no=154, id=151, vol=8.480000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HN) 2.595 0.842 0.842 weight 1.000 ! spec=NOESY, no=155, id=152, vol=8.460000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HE3) 2.598 0.844 0.844 weight 1.000 ! spec=NOESY, no=156, id=153, vol=8.390000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 2.602 0.846 0.846 weight 1.000 ! spec=NOESY, no=157, id=154, vol=8.320000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name   HN) 2.610 0.852 0.852 weight 1.000 ! spec=NOESY, no=158, id=155, vol=8.160000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 2.611 0.852 0.852 weight 1.000 ! spec=NOESY, no=159, id=156, vol=8.150000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HA) 2.617 0.856 0.856 weight 1.000 ! spec=NOESY, no=160, id=157, vol=8.030000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 2.621 0.859 0.859 weight 1.000 ! spec=NOESY, no=161, id=158, vol=7.970000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN) 2.621 0.859 0.859 weight 1.000 ! spec=NOESY, no=162, id=159, vol=7.960000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.622 0.860 0.860 weight 1.000 ! spec=NOESY, no=163, id=160, vol=7.940000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD12) 2.625 0.861 0.861 weight 1.000 ! spec=NOESY, no=164, id=161, vol=7.890000e+07
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.629 0.864 0.864 weight 1.000 ! spec=NOESY, no=166, id=163, vol=7.820000e+07
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name   HN) 2.630 0.864 0.864 weight 1.000 ! spec=NOESY, no=167, id=164, vol=7.810000e+07
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN) 2.631 0.865 0.865 weight 1.000 ! spec=NOESY, no=168, id=165, vol=7.780000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB1) 2.636 0.869 0.869 weight 1.000 ! spec=NOESY, no=169, id=166, vol=7.690000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 2.638 0.870 0.870 weight 1.000 ! spec=NOESY, no=170, id=167, vol=7.660000e+07
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name  HD2) 2.639 0.871 0.871 weight 1.000 ! spec=NOESY, no=171, id=168, vol=7.640000e+07
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name  HD2)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HD1) 2.642 0.872 0.872 weight 1.000 ! spec=NOESY, no=172, id=169, vol=7.600000e+07
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB1) 2.643 0.873 0.873 weight 1.000 ! spec=NOESY, no=173, id=170, vol=7.570000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=NOESY, no=174, id=171, vol=7.560000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB2) 2.647 0.876 0.876 weight 1.000 ! spec=NOESY, no=175, id=172, vol=7.510000e+07
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB1)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name HD12) 2.651 0.878 0.878 weight 1.000 ! spec=NOESY, no=176, id=173, vol=7.440000e+07
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   13 and name   HZ) 2.652 0.879 0.879 weight 1.000 ! spec=NOESY, no=177, id=174, vol=7.420000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   19 and name   HN) 2.652 0.879 0.879 weight 1.000 ! spec=NOESY, no=178, id=175, vol=7.420000e+07
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   25 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=NOESY, no=179, id=176, vol=7.400000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HE1) 2.653 0.880 0.880 weight 1.000 ! spec=NOESY, no=180, id=177, vol=7.400000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=NOESY, no=181, id=178, vol=7.400000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB2) 2.654 0.880 0.880 weight 1.000 ! spec=NOESY, no=182, id=179, vol=7.390000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD1) 2.658 0.883 0.883 weight 1.000 ! spec=NOESY, no=183, id=180, vol=7.320000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name   HN) 2.659 0.884 0.884 weight 1.000 ! spec=NOESY, no=184, id=181, vol=7.310000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HN) 2.663 0.886 0.886 weight 1.000 ! spec=NOESY, no=185, id=182, vol=7.240000e+07
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name   HN) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=186, id=183, vol=7.220000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HE) 2.667 0.889 0.889 weight 1.000 ! spec=NOESY, no=187, id=184, vol=7.180000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HE)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HD2) 2.672 0.892 0.892 weight 1.000 ! spec=NOESY, no=189, id=186, vol=7.100000e+07
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HD1)
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HN) 2.672 0.893 0.893 weight 1.000 ! spec=NOESY, no=190, id=187, vol=7.090000e+07
assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   18 and name   HN) 2.674 0.893 0.893 weight 1.000 ! spec=NOESY, no=191, id=188, vol=7.070000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name   HN) 2.674 0.894 0.894 weight 1.000 ! spec=NOESY, no=192, id=189, vol=7.060000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HN) 2.677 0.896 0.896 weight 1.000 ! spec=NOESY, no=193, id=190, vol=7.020000e+07
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HA) 2.677 0.896 0.896 weight 1.000 ! spec=NOESY, no=194, id=191, vol=7.010000e+07
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name   HN) 2.682 0.899 0.899 weight 1.000 ! spec=NOESY, no=195, id=192, vol=6.940000e+07
assign (segid "    " and resid   28 and name  HA2) (segid "    " and resid   28 and name   HN) 2.683 0.900 0.900 weight 1.000 ! spec=NOESY, no=196, id=193, vol=6.920000e+07
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name  HD1) 2.684 0.901 0.901 weight 1.000 ! spec=NOESY, no=197, id=194, vol=6.900000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   13 and name  HD1) 2.690 0.904 0.904 weight 1.000 ! spec=NOESY, no=198, id=195, vol=6.820000e+07
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   23 and name   HN) 2.696 0.909 0.909 weight 1.000 ! spec=NOESY, no=200, id=197, vol=6.720000e+07
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HD1) 2.702 0.913 0.913 weight 1.000 ! spec=NOESY, no=201, id=198, vol=6.630000e+07
assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   18 and name   HA) 2.703 0.913 0.913 weight 1.000 ! spec=NOESY, no=202, id=199, vol=6.620000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   11 and name   HN) 2.706 0.916 0.916 weight 1.000 ! spec=NOESY, no=203, id=200, vol=6.570000e+07
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name   HN) 2.709 0.917 0.917 weight 1.000 ! spec=NOESY, no=204, id=201, vol=6.540000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name  HG1) 2.713 0.920 0.920 weight 1.000 ! spec=NOESY, no=205, id=202, vol=6.480000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   20 and name  HG1)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HN) 2.715 0.921 0.921 weight 1.000 ! spec=NOESY, no=206, id=203, vol=6.450000e+07
assign (segid "    " and resid    7 and name  HZ2) (segid "    " and resid    7 and name  HE1) 2.715 0.921 0.921 weight 1.000 ! spec=NOESY, no=207, id=204, vol=6.450000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   13 and name  HE1) 2.721 0.926 0.926 weight 1.000 ! spec=NOESY, no=209, id=206, vol=6.360000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name  HE1)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HD1) 2.722 0.926 0.926 weight 1.000 ! spec=NOESY, no=210, id=207, vol=6.350000e+07
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   12 and name   HN) 2.722 0.926 0.926 weight 1.000 ! spec=NOESY, no=211, id=208, vol=6.350000e+07
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.724 0.928 0.928 weight 1.000 ! spec=NOESY, no=213, id=210, vol=6.320000e+07
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    1 and name   HA) 2.725 0.928 0.928 weight 1.000 ! spec=NOESY, no=214, id=211, vol=6.310000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.731 0.932 0.932 weight 1.000 ! spec=NOESY, no=215, id=212, vol=6.230000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HN) 2.732 0.933 0.933 weight 1.000 ! spec=NOESY, no=216, id=213, vol=6.210000e+07
assign (segid "    " and resid   29 and name  HG2) (segid "    " and resid   29 and name  HB1) 2.733 0.933 0.933 weight 1.000 ! spec=NOESY, no=217, id=214, vol=6.200000e+07
    or (segid "    " and resid   29 and name  HG1) (segid "    " and resid   29 and name  HB1)
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   10 and name   HN) 2.733 0.933 0.933 weight 1.000 ! spec=NOESY, no=218, id=215, vol=6.200000e+07
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name   HN) 2.733 0.934 0.934 weight 1.000 ! spec=NOESY, no=219, id=216, vol=6.190000e+07
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   22 and name  HE1) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=220, id=217, vol=6.170000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   22 and name  HE1)
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HN) 2.737 0.936 0.936 weight 1.000 ! spec=NOESY, no=222, id=219, vol=6.140000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.737 0.936 0.936 weight 1.000 ! spec=NOESY, no=223, id=220, vol=6.140000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HD1) 2.745 0.942 0.942 weight 1.000 ! spec=NOESY, no=224, id=221, vol=6.030000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 2.748 0.944 0.944 weight 1.000 ! spec=NOESY, no=225, id=222, vol=5.990000e+07
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HD2) 2.751 0.946 0.946 weight 1.000 ! spec=NOESY, no=226, id=223, vol=5.960000e+07
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   22 and name  HE1) 2.753 0.947 0.947 weight 1.000 ! spec=NOESY, no=227, id=224, vol=5.930000e+07
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   22 and name  HE1)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   22 and name  HD2) 2.761 0.953 0.953 weight 1.000 ! spec=NOESY, no=228, id=225, vol=5.830000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD2) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=230, id=227, vol=5.790000e+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    3 and name  HB1) (segid "    " and resid   19 and name HD22) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=231, id=228, vol=5.790000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HN) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=232, id=229, vol=5.730000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   22 and name  HD2) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=233, id=230, vol=5.730000e+07
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HA) 2.770 0.959 0.959 weight 1.000 ! spec=NOESY, no=234, id=231, vol=5.710000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.771 0.960 0.960 weight 1.000 ! spec=NOESY, no=235, id=232, vol=5.700000e+07
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   23 and name   HA) 2.778 0.965 0.965 weight 1.000 ! spec=NOESY, no=236, id=233, vol=5.620000e+07
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   23 and name   HA)
assign (segid "    " and resid    8 and name   HE) (segid "    " and resid    7 and name   HN) 2.781 0.967 0.967 weight 1.000 ! spec=NOESY, no=237, id=234, vol=5.580000e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.781 0.967 0.967 weight 1.000 ! spec=NOESY, no=238, id=235, vol=5.580000e+07
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid    3 and name  HE1) 2.783 0.968 0.968 weight 1.000 ! spec=NOESY, no=240, id=237, vol=5.560000e+07
    or (segid "    " and resid   16 and name  HB2) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   26 and name  HE1) 2.784 0.969 0.969 weight 1.000 ! spec=NOESY, no=241, id=238, vol=5.540000e+07
assign (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name   HA) 2.786 0.970 0.970 weight 1.000 ! spec=NOESY, no=242, id=239, vol=5.520000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name   HN) 2.786 0.970 0.970 weight 1.000 ! spec=NOESY, no=243, id=240, vol=5.520000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD1) 2.789 0.972 0.972 weight 1.000 ! spec=NOESY, no=244, id=241, vol=5.490000e+07
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD1)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2) 2.790 0.973 0.973 weight 1.000 ! spec=NOESY, no=245, id=242, vol=5.470000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid    2 and name  HG2) 2.793 0.975 0.975 weight 1.000 ! spec=NOESY, no=246, id=243, vol=5.440000e+07
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid    2 and name  HG2)
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name   HN) 2.796 0.977 0.977 weight 1.000 ! spec=NOESY, no=247, id=244, vol=5.400000e+07
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   15 and name   HN) 2.802 0.981 0.981 weight 1.000 ! spec=NOESY, no=248, id=245, vol=5.340000e+07
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1) 2.805 0.984 0.984 weight 1.000 ! spec=NOESY, no=249, id=246, vol=5.300000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid    3 and name  HB1) 2.805 0.984 0.984 weight 1.000 ! spec=NOESY, no=250, id=247, vol=5.300000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HG1) 2.806 0.984 0.984 weight 1.000 ! spec=NOESY, no=251, id=248, vol=5.290000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid    3 and name  HD1) 2.816 0.991 0.991 weight 1.000 ! spec=NOESY, no=253, id=249, vol=5.180000e+07
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN) 2.825 0.998 0.998 weight 1.000 ! spec=NOESY, no=255, id=251, vol=5.080000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HN) 2.829 1.000 1.000 weight 1.000 ! spec=NOESY, no=256, id=252, vol=5.040000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HA) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=257, id=253, vol=5.030000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.832 1.003 1.003 weight 1.000 ! spec=NOESY, no=258, id=254, vol=5.000000e+07
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid    3 and name  HE1) 2.834 1.004 1.004 weight 1.000 ! spec=NOESY, no=259, id=255, vol=4.980000e+07
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN) 2.836 1.006 1.006 weight 1.000 ! spec=NOESY, no=260, id=256, vol=4.960000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   13 and name  HE1) 2.837 1.006 1.006 weight 1.000 ! spec=NOESY, no=261, id=257, vol=4.950000e+07
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HN) 2.838 1.007 1.007 weight 1.000 ! spec=NOESY, no=262, id=258, vol=4.940000e+07
assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name   HN) 2.839 1.008 1.008 weight 1.000 ! spec=NOESY, no=263, id=259, vol=4.930000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HE3) 2.849 1.014 1.014 weight 1.000 ! spec=NOESY, no=264, id=260, vol=4.830000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.852 1.017 1.017 weight 1.000 ! spec=NOESY, no=265, id=261, vol=4.800000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HE3) 2.855 1.019 1.019 weight 1.000 ! spec=NOESY, no=266, id=262, vol=4.770000e+07
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   13 and name  HD1) 2.856 1.019 1.019 weight 1.000 ! spec=NOESY, no=267, id=263, vol=4.760000e+07
    or (segid "    " and resid   13 and name   HZ) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.858 1.021 1.021 weight 1.000 ! spec=NOESY, no=268, id=264, vol=4.740000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   13 and name   HZ) 2.861 1.023 1.023 weight 1.000 ! spec=NOESY, no=270, id=266, vol=4.710000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name   HZ)
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HN) 2.863 1.024 1.024 weight 1.000 ! spec=NOESY, no=271, id=267, vol=4.690000e+07
    or (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HN)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   14 and name   HN) 2.865 1.026 1.026 weight 1.000 ! spec=NOESY, no=272, id=268, vol=4.670000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HD1) 2.869 1.029 1.029 weight 1.000 ! spec=NOESY, no=274, id=270, vol=4.630000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HD1)
assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   13 and name  HB2) 2.873 1.032 1.032 weight 1.000 ! spec=NOESY, no=275, id=271, vol=4.590000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name  HD1) 2.873 1.032 1.032 weight 1.000 ! spec=NOESY, no=276, id=272, vol=4.590000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name  HD1)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB2) 2.873 1.032 1.032 weight 1.000 ! spec=NOESY, no=278, id=274, vol=4.590000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD1) 2.876 1.034 1.034 weight 1.000 ! spec=NOESY, no=279, id=275, vol=4.560000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HA) 2.884 1.039 1.039 weight 1.000 ! spec=NOESY, no=280, id=276, vol=4.490000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.890 1.044 1.044 weight 1.000 ! spec=NOESY, no=282, id=278, vol=4.430000e+07
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HN) 2.891 1.045 1.045 weight 1.000 ! spec=NOESY, no=283, id=279, vol=4.420000e+07
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name   HA) 2.895 1.047 1.047 weight 1.000 ! spec=NOESY, no=284, id=280, vol=4.390000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   13 and name  HE1) 2.899 1.051 1.051 weight 1.000 ! spec=NOESY, no=286, id=282, vol=4.350000e+07
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   26 and name  HD2) 2.908 1.057 1.057 weight 1.000 ! spec=NOESY, no=287, id=283, vol=4.270000e+07
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HE) 2.914 1.061 1.061 weight 1.000 ! spec=NOESY, no=288, id=284, vol=4.220000e+07
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HE)
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HD2) 2.915 1.062 1.062 weight 1.000 ! spec=NOESY, no=289, id=285, vol=4.210000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD1) 2.917 1.064 1.064 weight 1.000 ! spec=NOESY, no=290, id=286, vol=4.190000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.917 1.064 1.064 weight 1.000 ! spec=NOESY, no=291, id=287, vol=4.190000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD1) 2.918 1.065 1.065 weight 1.000 ! spec=NOESY, no=292, id=288, vol=4.180000e+07
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.919 1.065 1.065 weight 1.000 ! spec=NOESY, no=293, id=289, vol=4.170000e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   15 and name   HN) 2.921 1.066 1.066 weight 1.000 ! spec=NOESY, no=294, id=290, vol=4.160000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HD1) 2.922 1.067 1.067 weight 1.000 ! spec=NOESY, no=295, id=291, vol=4.150000e+07
assign (segid "    " and resid   28 and name  HA2) (segid "    " and resid   29 and name   HN) 2.922 1.067 1.067 weight 1.000 ! spec=NOESY, no=296, id=292, vol=4.150000e+07
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name   HA) 2.923 1.068 1.068 weight 1.000 ! spec=NOESY, no=297, id=293, vol=4.140000e+07
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name   HA)
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   15 and name   HN) 2.929 1.072 1.072 weight 1.000 ! spec=NOESY, no=298, id=294, vol=4.090000e+07
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    5 and name   HN) 2.931 1.074 1.074 weight 1.000 ! spec=NOESY, no=299, id=295, vol=4.070000e+07
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   13 and name  HD1) 2.937 1.078 1.078 weight 1.000 ! spec=NOESY, no=300, id=296, vol=4.020000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   13 and name  HE1) 2.939 1.079 1.079 weight 1.000 ! spec=NOESY, no=301, id=297, vol=4.010000e+07
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   13 and name  HE1)
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name   HN) 2.939 1.079 1.079 weight 1.000 ! spec=NOESY, no=302, id=298, vol=4.010000e+07
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD2) 2.940 1.080 1.080 weight 1.000 ! spec=NOESY, no=303, id=299, vol=4.000000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HD1) 2.941 1.081 1.081 weight 1.000 ! spec=NOESY, no=304, id=300, vol=3.990000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN) 2.946 1.085 1.085 weight 1.000 ! spec=NOESY, no=305, id=301, vol=3.950000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name   HN) 2.950 1.088 1.088 weight 1.000 ! spec=NOESY, no=307, id=303, vol=3.920000e+07
assign (segid "    " and resid   28 and name  HA1) (segid "    " and resid   29 and name   HN) 2.956 1.092 1.092 weight 1.000 ! spec=NOESY, no=308, id=304, vol=3.870000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.961 1.096 1.096 weight 1.000 ! spec=NOESY, no=309, id=305, vol=3.830000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HD2) 2.962 1.097 1.097 weight 1.000 ! spec=NOESY, no=310, id=306, vol=3.820000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HD2)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   13 and name  HE1) 2.966 1.100 1.100 weight 1.000 ! spec=NOESY, no=311, id=307, vol=3.790000e+07
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=NOESY, no=312, id=308, vol=3.770000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    4 and name   HN) 2.974 1.106 1.106 weight 1.000 ! spec=NOESY, no=313, id=309, vol=3.730000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   26 and name  HD2) 2.977 1.108 1.108 weight 1.000 ! spec=NOESY, no=314, id=310, vol=3.710000e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name   HN) 2.980 1.110 1.110 weight 1.000 ! spec=NOESY, no=316, id=312, vol=3.690000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HB1) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=317, id=313, vol=3.680000e+07
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   27 and name   HN) 2.982 1.112 1.112 weight 1.000 ! spec=NOESY, no=318, id=314, vol=3.670000e+07
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HN) 2.984 1.113 1.113 weight 1.000 ! spec=NOESY, no=320, id=316, vol=3.660000e+07
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   11 and name   HN) 2.985 1.114 1.114 weight 1.000 ! spec=NOESY, no=321, id=317, vol=3.650000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name   HN) 2.986 1.115 1.115 weight 1.000 ! spec=NOESY, no=322, id=318, vol=3.640000e+07
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   20 and name   HA) 2.989 1.117 1.117 weight 1.000 ! spec=NOESY, no=323, id=319, vol=3.620000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   18 and name   HN) 3.000 1.125 1.125 weight 1.000 ! spec=NOESY, no=324, id=320, vol=3.540000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1) 3.002 1.126 1.126 weight 1.000 ! spec=NOESY, no=325, id=321, vol=3.530000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid    5 and name  HB2) 3.003 1.127 1.127 weight 1.000 ! spec=NOESY, no=326, id=322, vol=3.520000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid    5 and name  HB2)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HN) 3.007 1.131 1.131 weight 1.000 ! spec=NOESY, no=327, id=323, vol=3.490000e+07
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   22 and name  HD2) 3.007 1.131 1.131 weight 1.000 ! spec=NOESY, no=328, id=324, vol=3.490000e+07
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name   HN) 3.009 1.132 1.132 weight 1.000 ! spec=NOESY, no=329, id=325, vol=3.480000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 3.009 1.132 1.132 weight 1.000 ! spec=NOESY, no=331, id=327, vol=3.480000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   19 and name HD22) 3.012 1.134 1.134 weight 1.000 ! spec=NOESY, no=332, id=328, vol=3.460000e+07
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   19 and name HD12) 3.019 1.139 1.139 weight 1.000 ! spec=NOESY, no=334, id=330, vol=3.410000e+07
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HE) 3.033 1.150 1.150 weight 1.000 ! spec=NOESY, no=337, id=333, vol=3.320000e+07
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name   HN) 3.034 1.151 1.151 weight 1.000 ! spec=NOESY, no=338, id=334, vol=3.310000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 3.048 1.161 1.161 weight 1.000 ! spec=NOESY, no=340, id=336, vol=3.220000e+07
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid    7 and name  HE3) 3.050 1.162 1.162 weight 1.000 ! spec=NOESY, no=341, id=337, vol=3.210000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    7 and name   HN) 3.050 1.162 1.162 weight 1.000 ! spec=NOESY, no=342, id=338, vol=3.210000e+07
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   13 and name   HZ) 3.054 1.166 1.166 weight 1.000 ! spec=NOESY, no=343, id=339, vol=3.180000e+07
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   13 and name   HZ)
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HN) 3.056 1.167 1.167 weight 1.000 ! spec=NOESY, no=344, id=340, vol=3.170000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 3.058 1.169 1.169 weight 1.000 ! spec=NOESY, no=345, id=341, vol=3.160000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   17 and name   HN) 3.058 1.169 1.169 weight 1.000 ! spec=NOESY, no=346, id=342, vol=3.160000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HN) 3.059 1.170 1.170 weight 1.000 ! spec=NOESY, no=347, id=343, vol=3.150000e+07
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name   HN) 3.067 1.176 1.176 weight 1.000 ! spec=NOESY, no=349, id=345, vol=3.100000e+07
assign (segid "    " and resid   14 and name HG21) (segid "    " and resid   14 and name   HN) 3.071 1.179 1.179 weight 1.000 ! spec=NOESY, no=350, id=346, vol=3.080000e+07
    or (segid "    " and resid   14 and name HG22) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   14 and name HG23) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   18 and name   HN) 3.071 1.179 1.179 weight 1.000 ! spec=NOESY, no=351, id=347, vol=3.080000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   24 and name   HN) 3.071 1.179 1.179 weight 1.000 ! spec=NOESY, no=353, id=348, vol=3.080000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HN) 3.071 1.179 1.179 weight 1.000 ! spec=NOESY, no=354, id=349, vol=3.080000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid    5 and name   HN) 3.072 1.180 1.180 weight 1.000 ! spec=NOESY, no=357, id=352, vol=3.070000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name   HN) 3.074 1.181 1.181 weight 1.000 ! spec=NOESY, no=358, id=353, vol=3.060000e+07
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   22 and name  HD2) 3.081 1.186 1.186 weight 1.000 ! spec=NOESY, no=359, id=354, vol=3.020000e+07
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   20 and name   HN) 3.082 1.188 1.188 weight 1.000 ! spec=NOESY, no=360, id=355, vol=3.010000e+07
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   22 and name  HD2) 3.096 1.198 1.198 weight 1.000 ! spec=NOESY, no=361, id=356, vol=2.930000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN) 3.102 1.203 1.203 weight 1.000 ! spec=NOESY, no=364, id=359, vol=2.900000e+07
assign (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD2) 3.103 1.204 1.204 weight 1.000 ! spec=NOESY, no=365, id=360, vol=2.890000e+07
    or (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   11 and name   HN) 3.103 1.204 1.204 weight 1.000 ! spec=NOESY, no=366, id=361, vol=2.890000e+07
assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   27 and name   HN) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=367, id=362, vol=2.880000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 3.107 1.207 1.207 weight 1.000 ! spec=NOESY, no=368, id=363, vol=2.870000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HN) 3.111 1.210 1.210 weight 1.000 ! spec=NOESY, no=369, id=364, vol=2.850000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 3.111 1.210 1.210 weight 1.000 ! spec=NOESY, no=370, id=365, vol=2.850000e+07
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   21 and name   HA) 3.112 1.211 1.211 weight 1.000 ! spec=NOESY, no=371, id=366, vol=2.840000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   13 and name   HZ) 3.118 1.215 1.215 weight 1.000 ! spec=NOESY, no=372, id=367, vol=2.810000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   17 and name   HN) 3.120 1.217 1.217 weight 1.000 ! spec=NOESY, no=373, id=368, vol=2.800000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 3.122 1.218 1.218 weight 1.000 ! spec=NOESY, no=375, id=370, vol=2.790000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name   HN) 3.129 1.224 1.224 weight 1.000 ! spec=NOESY, no=378, id=373, vol=2.750000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name  HB2) 3.139 1.232 1.232 weight 1.000 ! spec=NOESY, no=381, id=376, vol=2.700000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name  HB2) 3.145 1.236 1.236 weight 1.000 ! spec=NOESY, no=382, id=377, vol=2.670000e+07
assign (segid "    " and resid    6 and name HG21) (segid "    " and resid    6 and name   HN) 3.147 1.238 1.238 weight 1.000 ! spec=NOESY, no=384, id=379, vol=2.660000e+07
    or (segid "    " and resid    6 and name HG22) (segid "    " and resid    6 and name   HN)
    or (segid "    " and resid    6 and name HG23) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid   29 and name  HG2) (segid "    " and resid   29 and name   HN) 3.159 1.247 1.247 weight 1.000 ! spec=NOESY, no=385, id=380, vol=2.600000e+07
    or (segid "    " and resid   29 and name  HG1) (segid "    " and resid   29 and name   HN)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   18 and name   HN) 3.165 1.252 1.252 weight 1.000 ! spec=NOESY, no=387, id=382, vol=2.570000e+07
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   17 and name   HN) 3.165 1.252 1.252 weight 1.000 ! spec=NOESY, no=388, id=383, vol=2.570000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 3.171 1.257 1.257 weight 1.000 ! spec=NOESY, no=389, id=384, vol=2.540000e+07
assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid   10 and name  HA2) 3.175 1.260 1.260 weight 1.000 ! spec=NOESY, no=390, id=385, vol=2.520000e+07
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid   10 and name  HA2)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid   10 and name  HA2)
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid    6 and name   HN) 3.177 1.262 1.262 weight 1.000 ! spec=NOESY, no=392, id=387, vol=2.510000e+07
assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid   10 and name  HA1) 3.179 1.264 1.264 weight 1.000 ! spec=NOESY, no=393, id=388, vol=2.500000e+07
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid   10 and name  HA1)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid   10 and name  HA1)
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HN) 3.184 1.267 1.267 weight 1.000 ! spec=NOESY, no=395, id=390, vol=2.480000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   19 and name HD12) 3.186 1.269 1.269 weight 1.000 ! spec=NOESY, no=396, id=391, vol=2.470000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name   HN) 3.188 1.270 1.270 weight 1.000 ! spec=NOESY, no=397, id=392, vol=2.460000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HE1) 3.188 1.270 1.270 weight 1.000 ! spec=NOESY, no=398, id=393, vol=2.460000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   16 and name   HN) 3.190 1.272 1.272 weight 1.000 ! spec=NOESY, no=399, id=394, vol=2.450000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid    3 and name  HD1) 3.201 1.281 1.281 weight 1.000 ! spec=NOESY, no=400, id=395, vol=2.400000e+07
    or (segid "    " and resid   16 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HE1) 3.201 1.281 1.281 weight 1.000 ! spec=NOESY, no=401, id=396, vol=2.400000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   25 and name   HN) 3.215 1.292 1.292 weight 1.000 ! spec=NOESY, no=402, id=397, vol=2.340000e+07
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   20 and name   HN) 3.229 1.303 1.303 weight 1.000 ! spec=NOESY, no=403, id=398, vol=2.280000e+07
assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   28 and name   HN) 3.231 1.305 1.305 weight 1.000 ! spec=NOESY, no=404, id=399, vol=2.270000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name   HN) 3.233 1.307 1.307 weight 1.000 ! spec=NOESY, no=405, id=400, vol=2.260000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name  HD2) 3.236 1.309 1.309 weight 1.000 ! spec=NOESY, no=406, id=401, vol=2.250000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   16 and name   HA) 3.240 1.313 1.313 weight 1.000 ! spec=NOESY, no=407, id=402, vol=2.230000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   19 and name   HN) 3.240 1.313 1.313 weight 1.000 ! spec=NOESY, no=408, id=403, vol=2.230000e+07
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HA) 3.245 1.317 1.317 weight 1.000 ! spec=NOESY, no=409, id=404, vol=2.210000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 3.250 1.321 1.321 weight 1.000 ! spec=NOESY, no=410, id=405, vol=2.190000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   15 and name   HN) 3.263 1.331 1.331 weight 1.000 ! spec=NOESY, no=411, id=406, vol=2.140000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name HG21) 3.278 1.343 1.343 weight 1.000 ! spec=NOESY, no=412, id=407, vol=2.080000e+07
    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    5 and name  HB2) (segid "    " and resid    6 and name   HN) 3.281 1.346 1.346 weight 1.000 ! spec=NOESY, no=414, id=409, vol=2.070000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   22 and name  HD2) 3.281 1.346 1.346 weight 1.000 ! spec=NOESY, no=415, id=410, vol=2.070000e+07
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   18 and name   HN) 3.289 1.352 1.352 weight 1.000 ! spec=NOESY, no=416, id=411, vol=2.040000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   13 and name   HN) 3.289 1.352 1.352 weight 1.000 ! spec=NOESY, no=417, id=412, vol=2.040000e+07
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   22 and name  HE1) 3.294 1.357 1.357 weight 1.000 ! spec=NOESY, no=418, id=413, vol=2.020000e+07
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   22 and name  HE1)
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid    7 and name  HD1) 3.300 1.361 1.361 weight 1.000 ! spec=NOESY, no=420, id=415, vol=2.000000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   26 and name  HD2) 3.308 1.368 1.368 weight 1.000 ! spec=NOESY, no=421, id=416, vol=1.970000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   23 and name   HN) 3.317 1.375 1.375 weight 1.000 ! spec=NOESY, no=422, id=417, vol=1.940000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 3.317 1.375 1.375 weight 1.000 ! spec=NOESY, no=423, id=418, vol=1.940000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   22 and name  HD2) 3.319 1.377 1.377 weight 1.000 ! spec=NOESY, no=424, id=419, vol=1.930000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HD2) 3.331 1.387 1.387 weight 1.000 ! spec=NOESY, no=425, id=420, vol=1.890000e+07
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   13 and name  HE1) (segid "    " and resid    5 and name   HN) 3.337 1.392 1.392 weight 1.000 ! spec=NOESY, no=427, id=422, vol=1.870000e+07
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HE1) 3.343 1.397 1.397 weight 1.000 ! spec=NOESY, no=428, id=423, vol=1.850000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid   26 and name  HE1) 3.343 1.397 1.397 weight 1.000 ! spec=NOESY, no=429, id=424, vol=1.850000e+07
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   26 and name  HD2) 3.346 1.399 1.399 weight 1.000 ! spec=NOESY, no=430, id=425, vol=1.840000e+07
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid    5 and name   HN) 3.358 1.410 1.410 weight 1.000 ! spec=NOESY, no=432, id=426, vol=1.800000e+07
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid   20 and name   HN) 3.358 1.410 1.410 weight 1.000 ! spec=NOESY, no=434, id=428, vol=1.800000e+07
    or (segid "    " and resid   19 and name HD21) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   19 and name HD23) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    7 and name   HN) 3.361 1.412 1.412 weight 1.000 ! spec=NOESY, no=435, id=429, vol=1.790000e+07
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   18 and name   HN) 3.361 1.412 1.412 weight 1.000 ! spec=NOESY, no=436, id=430, vol=1.790000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN) 3.368 1.418 1.418 weight 1.000 ! spec=NOESY, no=437, id=431, vol=1.770000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HE1) 3.371 1.420 1.420 weight 1.000 ! spec=NOESY, no=438, id=432, vol=1.760000e+07
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HE1) 3.371 1.420 1.420 weight 1.000 ! spec=NOESY, no=439, id=433, vol=1.760000e+07
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   22 and name  HE1) 3.381 1.428 1.428 weight 1.000 ! spec=NOESY, no=441, id=435, vol=1.730000e+07
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   22 and name  HE1)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   26 and name   HN) 3.394 1.440 1.440 weight 1.000 ! spec=NOESY, no=442, id=436, vol=1.690000e+07
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   22 and name  HE1) 3.411 1.454 1.454 weight 1.000 ! spec=NOESY, no=444, id=438, vol=1.640000e+07
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   26 and name  HD2) 3.411 1.454 1.454 weight 1.000 ! spec=NOESY, no=445, id=439, vol=1.640000e+07
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid   19 and name   HN) 3.414 1.457 1.457 weight 1.000 ! spec=NOESY, no=446, id=440, vol=1.630000e+07
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   19 and name   HN) 3.418 1.460 1.460 weight 1.000 ! spec=NOESY, no=448, id=442, vol=1.620000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG1) 3.421 1.463 1.463 weight 1.000 ! spec=NOESY, no=449, id=443, vol=1.610000e+07
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid   16 and name   HN) 3.432 1.472 1.472 weight 1.000 ! spec=NOESY, no=450, id=444, vol=1.580000e+07
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HG2) 3.443 1.482 1.482 weight 1.000 ! spec=NOESY, no=452, id=446, vol=1.550000e+07
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    3 and name   HN) 3.447 1.485 1.485 weight 1.000 ! spec=NOESY, no=453, id=447, vol=1.540000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name  HD2) 3.454 1.491 1.491 weight 1.000 ! spec=NOESY, no=454, id=448, vol=1.520000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   21 and name   HN) 3.466 1.501 1.501 weight 1.000 ! spec=NOESY, no=456, id=450, vol=1.490000e+07
assign (segid "    " and resid   26 and name  HE1) (segid "    " and resid    7 and name  HB2) 3.477 1.512 1.512 weight 1.000 ! spec=NOESY, no=458, id=452, vol=1.460000e+07
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   15 and name  HG2) 3.485 1.519 1.519 weight 1.000 ! spec=NOESY, no=459, id=453, vol=1.440000e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   19 and name HD12) 3.485 1.519 1.519 weight 1.000 ! spec=NOESY, no=460, id=454, vol=1.440000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   10 and name   HN) 3.494 1.526 1.526 weight 1.000 ! spec=NOESY, no=462, id=456, vol=1.420000e+07
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   17 and name   HN) 3.506 1.537 1.537 weight 1.000 ! spec=NOESY, no=463, id=457, vol=1.390000e+07
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   28 and name   HN) 3.515 1.544 1.544 weight 1.000 ! spec=NOESY, no=464, id=458, vol=1.370000e+07
    or (segid "    " and resid   27 and name HG22) (segid "    " and resid   28 and name   HN)
    or (segid "    " and resid   27 and name HG23) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   13 and name  HD1) 3.528 1.555 1.555 weight 1.000 ! spec=NOESY, no=465, id=459, vol=1.340000e+07
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name  HE1) 3.532 1.559 1.559 weight 1.000 ! spec=NOESY, no=466, id=460, vol=1.330000e+07
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid    7 and name  HD1) 3.536 1.563 1.563 weight 1.000 ! spec=NOESY, no=467, id=461, vol=1.320000e+07
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    7 and name  HD1) 3.536 1.563 1.563 weight 1.000 ! spec=NOESY, no=468, id=462, vol=1.320000e+07
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    9 and name  HB2) 3.569 1.592 1.592 weight 1.000 ! spec=NOESY, no=470, id=464, vol=1.250000e+07
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid   19 and name   HN) 3.569 1.592 1.592 weight 1.000 ! spec=NOESY, no=471, id=465, vol=1.250000e+07
    or (segid "    " and resid   19 and name HD21) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   19 and name HD23) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   26 and name   HN) 3.598 1.618 1.618 weight 1.000 ! spec=NOESY, no=473, id=467, vol=1.190000e+07
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    8 and name   HE) 3.608 1.627 1.627 weight 1.000 ! spec=NOESY, no=474, id=468, vol=1.170000e+07
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name  HE1) 3.635 1.651 1.651 weight 1.000 ! spec=NOESY, no=475, id=469, vol=1.120000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   20 and name   HN) 3.662 1.677 1.677 weight 1.000 ! spec=NOESY, no=477, id=471, vol=1.070000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 3.713 1.724 1.724 weight 1.000 ! spec=NOESY, no=481, id=475, vol=9.850000e+06
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   20 and name   HN) 3.764 1.771 1.771 weight 1.000 ! spec=NOESY, no=483, id=477, vol=9.080000e+06
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HG1) 3.810 1.815 1.815 weight 1.000 ! spec=NOESY, no=484, id=478, vol=8.440000e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   19 and name   HN) 3.833 1.837 1.837 weight 1.000 ! spec=NOESY, no=485, id=479, vol=8.140000e+06
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   22 and name  HE1) 3.888 1.890 1.890 weight 1.000 ! spec=NOESY, no=486, id=480, vol=7.470000e+06
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    2 and name  HG2) 4.023 2.023 2.023 weight 1.000 ! spec=NOESY, no=487, id=481, vol=6.090000e+06
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    2 and name  HG2)
# Restraints file 3: wsh2032_hbonds_v2.tbl
!hairpin
assign  (resid 3 and name HN )  (resid 13 and name O )  1.9 0.1 0.1
assign  (resid 3 and name N )  (resid 13 and name O )   2.9 0.2 0.2
assign  (resid 13 and name HN )  (resid 3 and name O )  1.9 0.1 0.1
assign  (resid 13 and name N )  (resid 3 and name O )   2.9 0.2 0.2
assign  (resid 5 and name HN )  (resid 11 and name O )  1.9 0.1 0.1
assign  (resid 5 and name N )  (resid 11 and name O )   2.9 0.2 0.2
assign  (resid 9 and name HN )  (resid 7 and name O )  1.9 0.1 0.1
assign  (resid 9 and name N )  (resid 7 and name O )   2.9 0.2 0.2

!helix
assign  (resid 19 and name HN )  (resid 15 and name O )  1.9 0.1 0.1
assign  (resid 19 and name N )  (resid 15 and name O )   2.9 0.2 0.2
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 24 and name HN )  (resid 21 and name O )  1.9 0.1 0.1
assign  (resid 24 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 23 and name O )  1.9 0.1 0.1
assign  (resid 27 and name N )  (resid 23 and name O )   2.9 0.2 0.2
# Restraints file 4: wsh2032_dihedrals.tbl
!Phi angle constraints

!F3
 assign (resid  2  and name C ) (resid  3  and name N ) 
        (resid  3  and name CA) (resid  3  and name C )   1.0  -120.0 40.0 2
!X4
 assign (resid  3  and name C ) (resid  4  and name N ) 
        (resid  4  and name CA) (resid  4  and name C )   1.0  -120.0 40.0 2
!R12
 assign (resid 11  and name C ) (resid 12  and name N ) 
        (resid 12  and name CA) (resid 12  and name C )   1.0  -120.0 40.0 2
!R15
 assign (resid 14  and name C ) (resid 15  and name N ) 
        (resid 15  and name CA) (resid 15  and name C )   1.0  -120.0 40.0 2
!E18
 assign (resid  17  and name C ) (resid  18  and name N ) 
        (resid  18  and name CA) (resid  18  and name C )   1.0  -65.0 25.0 2
!L19
 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

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1  14.074  -1.901   5.929
    2    H2   ARG   1           HT2      ARG   1  13.055  -0.577   5.658
    3    H3   ARG   1           HT3      ARG   1  14.065  -1.133   4.423
    4    HA   ARG   1           HA       ARG   1  12.878  -3.167   4.249
    5    HB2  ARG   1           HB2      ARG   1  10.864  -3.570   5.589
    6    HB3  ARG   1           HB1      ARG   1  12.276  -3.399   6.619
    7    HG2  ARG   1           HG2      ARG   1  11.618  -1.094   7.128
    8    HG3  ARG   1           HG1      ARG   1  10.191  -1.288   6.108
    9    HD2  ARG   1           HD2      ARG   1   9.539  -1.604   8.397
   10    HD3  ARG   1           HD1      ARG   1   9.463  -3.160   7.571
   11    HE   ARG   1           HE       ARG   1  11.887  -2.521   9.074
   12   HH11  ARG   1          HH11      ARG   1   9.342  -5.457  10.083
   13   HH12  ARG   1          HH12      ARG   1   8.907  -4.337   8.835
   14   HH21  ARG   1          HH21      ARG   1  12.462  -3.981  10.719
   15   HH22  ARG   1          HH22      ARG   1  11.368  -5.254  11.163
   16    HA   PRO   2           HA       PRO   2  10.488  -0.677   1.440
   17    HB2  PRO   2           HB2      PRO   2   9.432  -2.626  -0.074
   18    HB3  PRO   2           HB1      PRO   2  11.161  -2.241  -0.136
   19    HG2  PRO   2           HG2      PRO   2   9.760  -4.445   1.334
   20    HG3  PRO   2           HG1      PRO   2  11.250  -4.515   0.375
   21    HD2  PRO   2           HD2      PRO   2  11.228  -4.350   3.103
   22    HD3  PRO   2           HD1      PRO   2  12.542  -3.704   2.099
   23    H    PHE   3           HN       PHE   3   8.279  -0.254   0.863
   24    HA   PHE   3           HA       PHE   3   6.424  -1.109   2.949
   25    HB2  PHE   3           HB2      PHE   3   6.203   1.057   0.845
   26    HB3  PHE   3           HB1      PHE   3   4.988   0.717   2.069
   27    HD1  PHE   3           HD1      PHE   3   8.092   2.369   1.337
   28    HD2  PHE   3           HD2      PHE   3   5.556   1.021   4.472
   29    HE1  PHE   3           HE1      PHE   3   9.259   3.850   2.913
   30    HE2  PHE   3           HE2      PHE   3   6.718   2.500   6.056
   31    HZ   PHE   3           HZ       PHE   3   8.574   3.920   5.278
   32    H    NLE   4           HN       NLE   4   6.072  -3.198   2.238
   33    HA   NLE   4           HA       NLE   4   5.072  -3.577  -0.482
   34    HB2  NLE   4           HB1      NLE   4   6.089  -5.549   1.573
   35    HB3  NLE   4           HB2      NLE   4   6.972  -4.963   0.172
   36    HG2  NLE   4           HG1      NLE   4   5.381  -6.072  -1.308
   37    HG3  NLE   4           HG2      NLE   4   4.473  -6.641   0.094
   38    HD2  NLE   4           HD1      NLE   4   6.444  -7.896   0.857
   39    HD3  NLE   4           HD2      NLE   4   7.335  -7.346  -0.572
   40    HE1  NLE   4           HE1      NLE   4   4.809  -8.992  -0.592
   41    HE2  NLE   4           HE2      NLE   4   6.438  -9.595  -0.901
   42    HE3  NLE   4           HE3      NLE   4   5.697  -8.444  -2.013
   43    H    CYS   5           HN       CYS   5   3.026  -4.062  -0.896
   44    HA   CYS   5           HA       CYS   5   1.104  -4.409   1.199
   45    HB2  CYS   5           HB2      CYS   5   0.517  -3.295  -0.931
   46    HB3  CYS   5           HB1      CYS   5   0.824  -4.797  -1.794
   47    H    THR   6           HN       THR   6   0.053  -6.338   1.779
   48    HA   THR   6           HA       THR   6   0.809  -8.779   0.380
   49    HB   THR   6           HB       THR   6   0.966  -8.623   3.399
   50    HG1  THR   6           HG1      THR   6   2.805  -7.943   1.453
   51   HG21  THR   6          HG21      THR   6   1.909 -10.711   1.423
   52   HG22  THR   6          HG22      THR   6   0.494 -10.847   2.465
   53   HG23  THR   6          HG23      THR   6   2.107 -10.783   3.173
   54    H    TRP   7           HN       TRP   7  -1.494  -7.711  -0.082
   55    HA   TRP   7           HA       TRP   7  -3.519  -8.615   1.791
   56    HB2  TRP   7           HB2      TRP   7  -3.694  -6.440   0.524
   57    HB3  TRP   7           HB1      TRP   7  -3.891  -7.383  -0.942
   58    HD1  TRP   7           HD1      TRP   7  -6.194  -8.807  -1.177
   59    HE1  TRP   7           HE1      TRP   7  -8.521  -8.393  -0.155
   60    HE3  TRP   7           HE3      TRP   7  -4.861  -5.573   2.533
   61    HZ2  TRP   7           HZ2      TRP   7  -9.640  -6.879   1.954
   62    HZ3  TRP   7           HZ3      TRP   7  -6.615  -4.679   4.013
   63    HH2  TRP   7           HH2      TRP   7  -8.954  -5.319   3.728
   64    H    ORN   8           HT1      ORN   8  -2.310 -14.061  -2.800
   65    HA   ORN   8           HA       ORN   8  -3.088 -11.837  -2.387
   66    HB2  ORN   8           HB1      ORN   8  -1.255 -11.185  -0.696
   67    HB3  ORN   8           HB2      ORN   8  -0.431 -12.641  -1.230
   68    HG2  ORN   8           HG1      ORN   8  -1.641 -13.144   0.759
   69    HG3  ORN   8           HG2      ORN   8  -2.445 -13.948  -0.592
   70    HD2  ORN   8           HD1      ORN   8  -4.033 -12.872   0.971
   71    HD3  ORN   8           HD2      ORN   8  -4.140 -12.230  -0.664
   72    HE1  ORN   8           HE       ORN   8  -2.931 -10.852   1.637
   73    HT3  ORN   8           HT3      ORN   8  -2.290 -13.153  -4.225
   74    H    CYS   9           HN       CYS   9  -2.989  -9.705  -2.749
   75    HA   CYS   9           HA       CYS   9  -1.389  -8.640  -4.807
   76    HB2  CYS   9           HB2      CYS   9  -3.538  -7.674  -4.278
   77    HB3  CYS   9           HB1      CYS   9  -3.025  -7.324  -2.636
   78    H    GLY  10           HN       GLY  10   0.715  -8.034  -4.740
   79    HA2  GLY  10           HA2      GLY  10   1.837  -7.283  -2.125
   80    HA3  GLY  10           HA1      GLY  10   2.586  -8.557  -3.066
   81    H    LYS  11           HN       LYS  11   1.321  -5.353  -3.988
   82    HA   LYS  11           HA       LYS  11   3.630  -4.780  -5.562
   83    HB2  LYS  11           HB2      LYS  11   1.369  -3.029  -4.592
   84    HB3  LYS  11           HB1      LYS  11   2.664  -2.444  -5.626
   85    HG2  LYS  11           HG2      LYS  11   2.012  -4.193  -7.289
   86    HG3  LYS  11           HG1      LYS  11   0.610  -4.543  -6.275
   87    HD2  LYS  11           HD2      LYS  11  -0.124  -2.211  -6.504
   88    HD3  LYS  11           HD1      LYS  11   1.269  -1.880  -7.534
   89    HE2  LYS  11           HE2      LYS  11  -0.939  -3.846  -8.127
   90    HE3  LYS  11           HE1      LYS  11  -0.765  -2.248  -8.847
   91    HZ1  LYS  11           HZ1      LYS  11   1.127  -4.517  -9.139
   92    HZ2  LYS  11           HZ2      LYS  11   1.363  -2.973  -9.782
   93    HZ3  LYS  11           HZ3      LYS  11   0.078  -3.928 -10.326
   94    H    ARG  12           HN       ARG  12   5.448  -3.677  -5.055
   95    HA   ARG  12           HA       ARG  12   5.817  -2.985  -2.232
   96    HB2  ARG  12           HB2      ARG  12   7.882  -3.393  -4.402
   97    HB3  ARG  12           HB1      ARG  12   8.225  -3.077  -2.707
   98    HG2  ARG  12           HG2      ARG  12   7.088  -5.190  -2.126
   99    HG3  ARG  12           HG1      ARG  12   6.878  -5.514  -3.847
  100    HD2  ARG  12           HD2      ARG  12   9.314  -5.454  -4.143
  101    HD3  ARG  12           HD1      ARG  12   9.512  -5.151  -2.418
  102    HE   ARG  12           HE       ARG  12   8.136  -7.586  -3.300
  103   HH11  ARG  12          HH11      ARG  12  10.920  -6.061  -1.812
  104   HH12  ARG  12          HH12      ARG  12  11.520  -7.536  -1.128
  105   HH21  ARG  12          HH21      ARG  12  10.397  -9.506  -1.476
  106   HH22  ARG  12          HH22      ARG  12   8.942  -9.531  -2.420
  107    H    PHE  13           HN       PHE  13   6.201  -0.969  -1.575
  108    HA   PHE  13           HA       PHE  13   6.540   1.120  -3.625
  109    HB2  PHE  13           HB2      PHE  13   5.012   1.338  -1.024
  110    HB3  PHE  13           HB1      PHE  13   5.172   2.593  -2.247
  111    HD1  PHE  13           HD1      PHE  13   4.015   2.385  -4.393
  112    HD2  PHE  13           HD2      PHE  13   3.493  -0.466  -1.286
  113    HE1  PHE  13           HE1      PHE  13   2.004   1.530  -5.518
  114    HE2  PHE  13           HE2      PHE  13   1.477  -1.321  -2.398
  115    HZ   PHE  13           HZ       PHE  13   0.731  -0.321  -4.519
  116    H    THR  14           HN       THR  14   7.827   2.897  -3.058
  117    HA   THR  14           HA       THR  14   9.804   2.354  -0.989
  118    HB   THR  14           HB       THR  14   9.779   4.728  -2.854
  119    HG1  THR  14           HG1      THR  14   9.990   3.326  -4.424
  120   HG21  THR  14          HG21      THR  14  12.211   4.605  -2.581
  121   HG22  THR  14          HG22      THR  14  12.032   3.188  -1.548
  122   HG23  THR  14          HG23      THR  14  11.415   4.750  -1.014
  123    H    ARG  15           HN       ARG  15   6.937   4.102  -1.385
  124    HA   ARG  15           HA       ARG  15   7.618   5.866   0.871
  125    HB2  ARG  15           HB2      ARG  15   5.904   6.388  -1.548
  126    HB3  ARG  15           HB1      ARG  15   5.774   7.362  -0.091
  127    HG2  ARG  15           HG2      ARG  15   8.052   8.084  -0.306
  128    HG3  ARG  15           HG1      ARG  15   8.312   6.986  -1.662
  129    HD2  ARG  15           HD2      ARG  15   7.935   9.376  -2.300
  130    HD3  ARG  15           HD1      ARG  15   6.841   8.223  -3.056
  131    HE   ARG  15           HE       ARG  15   5.460   9.054  -0.867
  132   HH11  ARG  15          HH11      ARG  15   7.057  10.732  -3.501
  133   HH12  ARG  15          HH12      ARG  15   5.943  12.063  -3.494
  134   HH21  ARG  15          HH21      ARG  15   3.974  10.778  -0.882
  135   HH22  ARG  15          HH22      ARG  15   4.186  12.092  -2.002
  136    H    SER  16           HN       SER  16   6.387   5.815   2.600
  137    HA   SER  16           HA       SER  16   4.595   3.688   3.028
  138    HB2  SER  16           HB2      SER  16   4.166   5.082   5.195
  139    HB3  SER  16           HB1      SER  16   5.764   4.389   4.920
  140    HG   SER  16           HG       SER  16   6.145   6.478   5.422
  141    H    ASP  17           HN       ASP  17   4.142   7.086   2.293
  142    HA   ASP  17           HA       ASP  17   1.348   7.136   2.806
  143    HB2  ASP  17           HB2      ASP  17   1.348   9.310   1.823
  144    HB3  ASP  17           HB1      ASP  17   2.847   9.161   2.720
  145    H    GLU  18           HN       GLU  18   3.318   6.322   0.047
  146    HA   GLU  18           HA       GLU  18   1.152   6.224  -1.803
  147    HB2  GLU  18           HB2      GLU  18   3.903   4.988  -1.931
  148    HB3  GLU  18           HB1      GLU  18   2.742   4.968  -3.253
  149    HG2  GLU  18           HG2      GLU  18   2.736   7.487  -3.112
  150    HG3  GLU  18           HG1      GLU  18   4.128   7.333  -2.037
  151    H    LEU  19           HN       LEU  19   2.799   3.856   0.252
  152    HA   LEU  19           HA       LEU  19   1.269   1.625  -0.546
  153    HB2  LEU  19           HB2      LEU  19   3.231   1.306   0.811
  154    HB3  LEU  19           HB1      LEU  19   2.556   2.278   2.105
  155    HG   LEU  19           HG       LEU  19   0.774   0.553   2.407
  156   HD11  LEU  19          HD11      LEU  19   0.820  -0.419   0.179
  157   HD12  LEU  19          HD12      LEU  19   1.102  -1.653   1.408
  158   HD13  LEU  19          HD13      LEU  19   2.452  -1.025   0.464
  159   HD21  LEU  19          HD21      LEU  19   2.143  -0.998   3.609
  160   HD22  LEU  19          HD22      LEU  19   2.859   0.606   3.766
  161   HD23  LEU  19          HD23      LEU  19   3.559  -0.569   2.653
  162    H    GLN  20           HN       GLN  20   0.752   4.077   1.950
  163    HA   GLN  20           HA       GLN  20  -1.646   3.149   3.006
  164    HB2  GLN  20           HB2      GLN  20  -0.492   4.959   4.065
  165    HB3  GLN  20           HB1      GLN  20  -0.602   5.955   2.621
  166    HG2  GLN  20           HG2      GLN  20  -3.030   6.073   2.901
  167    HG3  GLN  20           HG1      GLN  20  -2.901   5.101   4.365
  168   HE21  GLN  20          HE21      GLN  20  -2.052   6.010   6.214
  169   HE22  GLN  20          HE22      GLN  20  -1.852   7.717   6.403
  170    H    ARG  21           HN       ARG  21  -1.153   5.445   0.327
  171    HA   ARG  21           HA       ARG  21  -3.844   5.785  -0.366
  172    HB2  ARG  21           HB2      ARG  21  -1.369   5.889  -2.097
  173    HB3  ARG  21           HB1      ARG  21  -2.966   6.375  -2.644
  174    HG2  ARG  21           HG2      ARG  21  -3.029   8.111  -0.928
  175    HG3  ARG  21           HG1      ARG  21  -1.427   7.622  -0.375
  176    HD2  ARG  21           HD2      ARG  21  -1.288   9.571  -1.830
  177    HD3  ARG  21           HD1      ARG  21  -0.497   8.180  -2.566
  178    HE   ARG  21           HE       ARG  21  -2.913   8.018  -3.663
  179   HH11  ARG  21          HH11      ARG  21  -0.829  10.800  -3.214
  180   HH12  ARG  21          HH12      ARG  21  -1.413  11.613  -4.632
  181   HH21  ARG  21          HH21      ARG  21  -3.671   9.085  -5.515
  182   HH22  ARG  21          HH22      ARG  21  -3.028  10.639  -5.943
  183    H    HIS  22           HN       HIS  22  -1.454   3.433  -1.526
  184    HA   HIS  22           HA       HIS  22  -3.073   2.083  -3.342
  185    HB2  HIS  22           HB2      HIS  22  -0.726   1.610  -3.301
  186    HB3  HIS  22           HB1      HIS  22  -0.786   1.125  -1.610
  187    HD1  HIS  22           HD1      HIS  22  -1.384  -0.182  -5.076
  188    HD2  HIS  22           HD2      HIS  22  -1.827  -1.409  -1.115
  189    HE1  HIS  22           HE1      HIS  22  -1.964  -2.665  -5.135
  190    H    LYS  23           HN       LYS  23  -2.611   1.539   0.127
  191    HA   LYS  23           HA       LYS  23  -4.270  -0.704   0.375
  192    HB2  LYS  23           HB2      LYS  23  -3.438   1.404   2.357
  193    HB3  LYS  23           HB1      LYS  23  -4.415   0.015   2.806
  194    HG2  LYS  23           HG2      LYS  23  -1.690  -0.183   1.552
  195    HG3  LYS  23           HG1      LYS  23  -1.989  -0.222   3.288
  196    HD2  LYS  23           HD2      LYS  23  -3.516  -2.177   2.875
  197    HD3  LYS  23           HD1      LYS  23  -2.929  -2.192   1.214
  198    HE2  LYS  23           HE2      LYS  23  -0.649  -2.518   2.016
  199    HE3  LYS  23           HE1      LYS  23  -1.226  -2.489   3.681
  200    HZ1  LYS  23           HZ1      LYS  23  -0.941  -4.740   2.986
  201    HZ2  LYS  23           HZ2      LYS  23  -1.894  -4.503   1.611
  202    HZ3  LYS  23           HZ3      LYS  23  -2.598  -4.446   3.148
  203    H    ARG  24           HN       ARG  24  -4.994   2.682   0.139
  204    HA   ARG  24           HA       ARG  24  -7.578   2.696   1.239
  205    HB2  ARG  24           HB2      ARG  24  -6.378   4.737   0.703
  206    HB3  ARG  24           HB1      ARG  24  -6.397   4.335  -1.006
  207    HG2  ARG  24           HG2      ARG  24  -8.808   4.594  -1.064
  208    HG3  ARG  24           HG1      ARG  24  -8.826   4.935   0.670
  209    HD2  ARG  24           HD2      ARG  24  -7.503   6.926   0.333
  210    HD3  ARG  24           HD1      ARG  24  -7.322   6.557  -1.379
  211    HE   ARG  24           HE       ARG  24  -9.979   6.729  -1.144
  212   HH11  ARG  24          HH11      ARG  24  -8.377  10.261  -0.101
  213   HH12  ARG  24          HH12      ARG  24  -7.426   8.815   0.016
  214   HH21  ARG  24          HH21      ARG  24 -10.548  10.150  -0.861
  215   HH22  ARG  24          HH22      ARG  24 -11.235   8.616  -1.322
  216    H    THR  25           HN       THR  25  -6.386   1.345  -1.704
  217    HA   THR  25           HA       THR  25  -8.945   1.230  -3.021
  218    HB   THR  25           HB       THR  25  -6.751  -0.614  -3.820
  219    HG1  THR  25           HG1      THR  25  -5.423   1.070  -3.588
  220   HG21  THR  25          HG21      THR  25  -8.517   1.290  -5.363
  221   HG22  THR  25          HG22      THR  25  -8.834  -0.427  -5.116
  222   HG23  THR  25          HG23      THR  25  -7.432   0.084  -6.055
  223    H    HIS  26           HN       HIS  26  -7.268  -0.645  -0.673
  224    HA   HIS  26           HA       HIS  26  -8.918  -3.010  -1.147
  225    HB2  HIS  26           HB2      HIS  26  -6.729  -2.477   0.872
  226    HB3  HIS  26           HB1      HIS  26  -7.647  -3.970   0.794
  227    HD1  HIS  26           HD1      HIS  26  -7.429  -5.074  -1.892
  228    HD2  HIS  26           HD2      HIS  26  -4.369  -2.736  -0.283
  229    HE1  HIS  26           HE1      HIS  26  -5.298  -5.690  -3.154
  230    H    THR  27           HN       THR  27  -8.338  -0.517   1.293
  231    HA   THR  27           HA       THR  27 -11.019  -0.847   2.311
  232    HB   THR  27           HB       THR  27  -9.754  -2.535   3.603
  233    HG1  THR  27           HG1      THR  27 -11.076  -1.987   5.144
  234   HG21  THR  27          HG21      THR  27  -7.547  -1.503   3.567
  235   HG22  THR  27          HG22      THR  27  -8.060  -1.799   5.229
  236   HG23  THR  27          HG23      THR  27  -8.138  -0.170   4.558
  237    H    GLY  28           HN       GLY  28 -11.586   0.870   3.844
  238    HA2  GLY  28           HA2      GLY  28 -11.094   2.990   4.861
  239    HA3  GLY  28           HA1      GLY  28  -9.788   3.197   3.702
  240    H    GLU  29           HN       GLU  29 -11.538   2.195   1.535
  241    HA   GLU  29           HA       GLU  29 -13.605   4.233   1.363
  242    HB2  GLU  29           HB2      GLU  29 -11.601   5.259   0.354
  243    HB3  GLU  29           HB1      GLU  29 -11.452   3.887  -0.735
  244    HG2  GLU  29           HG2      GLU  29 -13.467   4.444  -1.855
  245    HG3  GLU  29           HG1      GLU  29 -13.871   5.666  -0.651
  246    H    LYS  30           HN       LYS  30 -15.386   3.473   0.407
  247    HA   LYS  30           HA       LYS  30 -15.164   0.954  -1.095
  248    HB2  LYS  30           HB2      LYS  30 -17.428   1.896   0.681
  249    HB3  LYS  30           HB1      LYS  30 -17.469   0.444  -0.307
  250    HG2  LYS  30           HG2      LYS  30 -15.582  -0.466   0.974
  251    HG3  LYS  30           HG1      LYS  30 -15.588   0.982   1.985
  252    HD2  LYS  30           HD2      LYS  30 -17.872   0.469   2.699
  253    HD3  LYS  30           HD1      LYS  30 -17.868  -0.974   1.686
  254    HE2  LYS  30           HE2      LYS  30 -17.420  -1.606   3.965
  255    HE3  LYS  30           HE1      LYS  30 -15.966  -1.846   3.000
  256    HZ1  LYS  30           HZ1      LYS  30 -16.495   0.471   4.780
  257    HZ2  LYS  30           HZ2      LYS  30 -15.100   0.248   3.856
  258    HZ3  LYS  30           HZ3      LYS  30 -15.455  -0.817   5.120
  259    HN1  NH2  31           HN1      NH2  31 -17.841   3.204  -0.622
  260    HN2  NH2  31           HN2      NH2  31 -18.023   3.625  -2.287
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1  13.224   0.834   4.228
    2    H2   ARG   1           HT2      ARG   1  14.114  -0.123   3.160
    3    H3   ARG   1           HT3      ARG   1  14.330  -0.297   4.826
    4    HA   ARG   1           HA       ARG   1  13.025  -2.092   3.895
    5    HB2  ARG   1           HB2      ARG   1  11.119  -1.936   5.466
    6    HB3  ARG   1           HB1      ARG   1  12.642  -1.490   6.220
    7    HG2  ARG   1           HG2      ARG   1  12.088   0.816   6.178
    8    HG3  ARG   1           HG1      ARG   1  10.695   0.529   5.134
    9    HD2  ARG   1           HD2      ARG   1  11.013  -0.447   7.975
   10    HD3  ARG   1           HD1      ARG   1  10.019   0.913   7.458
   11    HE   ARG   1           HE       ARG   1   9.469  -1.714   6.300
   12   HH11  ARG   1          HH11      ARG   1   6.896   0.238   8.683
   13   HH12  ARG   1          HH12      ARG   1   8.522   0.824   8.518
   14   HH21  ARG   1          HH21      ARG   1   7.346  -2.483   6.513
   15   HH22  ARG   1          HH22      ARG   1   6.230  -1.648   7.545
   16    HA   PRO   2           HA       PRO   2  10.303  -0.740   0.633
   17    HB2  PRO   2           HB2      PRO   2   9.525  -3.165  -0.235
   18    HB3  PRO   2           HB1      PRO   2  11.144  -2.528  -0.561
   19    HG2  PRO   2           HG2      PRO   2  10.264  -4.510   1.495
   20    HG3  PRO   2           HG1      PRO   2  11.724  -4.511   0.489
   21    HD2  PRO   2           HD2      PRO   2  11.657  -3.688   3.115
   22    HD3  PRO   2           HD1      PRO   2  12.857  -3.133   1.932
   23    H    PHE   3           HN       PHE   3   8.242  -0.153   0.684
   24    HA   PHE   3           HA       PHE   3   6.550  -1.134   2.823
   25    HB2  PHE   3           HB2      PHE   3   6.130   1.042   0.759
   26    HB3  PHE   3           HB1      PHE   3   5.015   0.678   2.067
   27    HD1  PHE   3           HD1      PHE   3   8.028   2.368   1.109
   28    HD2  PHE   3           HD2      PHE   3   5.749   1.011   4.432
   29    HE1  PHE   3           HE1      PHE   3   9.275   3.891   2.580
   30    HE2  PHE   3           HE2      PHE   3   6.991   2.530   5.911
   31    HZ   PHE   3           HZ       PHE   3   8.752   3.964   5.002
   32    H    NLE   4           HN       NLE   4   5.880  -3.157   2.277
   33    HA   NLE   4           HA       NLE   4   4.865  -3.595  -0.435
   34    HB2  NLE   4           HB1      NLE   4   5.652  -5.598   1.688
   35    HB3  NLE   4           HB2      NLE   4   6.669  -5.085   0.350
   36    HG2  NLE   4           HG1      NLE   4   5.083  -6.042  -1.234
   37    HG3  NLE   4           HG2      NLE   4   4.041  -6.538   0.101
   38    HD2  NLE   4           HD1      NLE   4   5.838  -7.978   0.959
   39    HD3  NLE   4           HD2      NLE   4   6.863  -7.491  -0.402
   40    HE1  NLE   4           HE1      NLE   4   5.226  -8.410  -1.961
   41    HE2  NLE   4           HE2      NLE   4   4.202  -8.893  -0.610
   42    HE3  NLE   4           HE3      NLE   4   5.783  -9.640  -0.829
   43    H    CYS   5           HN       CYS   5   2.825  -4.096  -0.849
   44    HA   CYS   5           HA       CYS   5   0.821  -3.985   1.178
   45    HB2  CYS   5           HB2      CYS   5   0.228  -3.193  -0.994
   46    HB3  CYS   5           HB1      CYS   5   0.761  -4.687  -1.753
   47    H    THR   6           HN       THR   6  -0.237  -5.606   2.184
   48    HA   THR   6           HA       THR   6   0.578  -8.356   1.534
   49    HB   THR   6           HB       THR   6   0.004  -8.804   3.995
   50    HG1  THR   6           HG1      THR   6   0.075  -7.014   5.348
   51   HG21  THR   6          HG21      THR   6   2.288  -8.859   3.141
   52   HG22  THR   6          HG22      THR   6   2.247  -8.115   4.740
   53   HG23  THR   6          HG23      THR   6   2.404  -7.106   3.301
   54    H    TRP   7           HN       TRP   7  -1.733  -6.706   0.587
   55    HA   TRP   7           HA       TRP   7  -4.017  -7.978   1.841
   56    HB2  TRP   7           HB2      TRP   7  -3.805  -5.541   0.833
   57    HB3  TRP   7           HB1      TRP   7  -4.235  -6.360  -0.659
   58    HD1  TRP   7           HD1      TRP   7  -6.661  -7.773  -0.532
   59    HE1  TRP   7           HE1      TRP   7  -8.835  -7.083   0.671
   60    HE3  TRP   7           HE3      TRP   7  -4.727  -4.340   2.706
   61    HZ2  TRP   7           HZ2      TRP   7  -9.619  -5.312   2.725
   62    HZ3  TRP   7           HZ3      TRP   7  -6.250  -3.185   4.258
   63    HH2  TRP   7           HH2      TRP   7  -8.646  -3.661   4.264
   64    H    ORN   8           HT1      ORN   8  -2.086 -13.465  -4.668
   65    HA   ORN   8           HA       ORN   8  -3.942 -11.724  -3.174
   66    HB2  ORN   8           HB1      ORN   8  -1.318 -12.991  -2.349
   67    HB3  ORN   8           HB2      ORN   8  -2.909 -13.465  -1.772
   68    HG2  ORN   8           HG1      ORN   8  -1.676 -10.756  -1.349
   69    HG3  ORN   8           HG2      ORN   8  -1.658 -12.071  -0.172
   70    HD2  ORN   8           HD1      ORN   8  -4.008 -12.004   0.086
   71    HD3  ORN   8           HD2      ORN   8  -4.210 -10.991  -1.341
   72    HE1  ORN   8           HE       ORN   8  -3.243 -10.123   1.281
   73    HT3  ORN   8           HT3      ORN   8  -3.610 -13.913  -4.089
   74    H    CYS   9           HN       CYS   9  -3.278  -9.601  -2.914
   75    HA   CYS   9           HA       CYS   9  -1.504  -8.653  -4.998
   76    HB2  CYS   9           HB2      CYS   9  -3.616  -7.517  -4.693
   77    HB3  CYS   9           HB1      CYS   9  -3.263  -7.237  -2.992
   78    H    GLY  10           HN       GLY  10   0.506  -7.813  -4.696
   79    HA2  GLY  10           HA2      GLY  10   1.434  -7.153  -2.024
   80    HA3  GLY  10           HA1      GLY  10   2.195  -8.546  -2.775
   81    H    LYS  11           HN       LYS  11   1.283  -5.251  -3.781
   82    HA   LYS  11           HA       LYS  11   3.684  -5.007  -5.367
   83    HB2  LYS  11           HB2      LYS  11   1.501  -3.018  -4.710
   84    HB3  LYS  11           HB1      LYS  11   2.816  -2.721  -5.841
   85    HG2  LYS  11           HG2      LYS  11   2.031  -4.545  -7.251
   86    HG3  LYS  11           HG1      LYS  11   0.726  -4.874  -6.109
   87    HD2  LYS  11           HD2      LYS  11  -0.169  -2.631  -6.496
   88    HD3  LYS  11           HD1      LYS  11   1.132  -2.308  -7.639
   89    HE2  LYS  11           HE2      LYS  11  -0.924  -4.497  -7.928
   90    HE3  LYS  11           HE1      LYS  11  -0.991  -2.935  -8.743
   91    HZ1  LYS  11           HZ1      LYS  11  -0.073  -4.559 -10.220
   92    HZ2  LYS  11           HZ2      LYS  11   1.097  -5.018  -9.086
   93    HZ3  LYS  11           HZ3      LYS  11   1.156  -3.478  -9.784
   94    H    ARG  12           HN       ARG  12   5.377  -3.512  -4.994
   95    HA   ARG  12           HA       ARG  12   5.651  -2.783  -2.157
   96    HB2  ARG  12           HB2      ARG  12   7.797  -3.389  -4.198
   97    HB3  ARG  12           HB1      ARG  12   8.101  -2.878  -2.544
   98    HG2  ARG  12           HG2      ARG  12   7.016  -4.886  -1.708
   99    HG3  ARG  12           HG1      ARG  12   6.671  -5.396  -3.360
  100    HD2  ARG  12           HD2      ARG  12   9.080  -5.489  -3.822
  101    HD3  ARG  12           HD1      ARG  12   9.410  -4.992  -2.162
  102    HE   ARG  12           HE       ARG  12   7.899  -7.456  -2.692
  103   HH11  ARG  12          HH11      ARG  12  10.763  -5.873  -1.451
  104   HH12  ARG  12          HH12      ARG  12  11.299  -7.255  -0.552
  105   HH21  ARG  12          HH21      ARG  12  10.063  -9.197  -0.587
  106   HH22  ARG  12          HH22      ARG  12   8.602  -9.288  -1.516
  107    H    PHE  13           HN       PHE  13   6.267  -0.769  -1.577
  108    HA   PHE  13           HA       PHE  13   6.613   1.225  -3.714
  109    HB2  PHE  13           HB2      PHE  13   5.021   1.564  -1.159
  110    HB3  PHE  13           HB1      PHE  13   5.252   2.787  -2.407
  111    HD1  PHE  13           HD1      PHE  13   4.052   2.676  -4.492
  112    HD2  PHE  13           HD2      PHE  13   3.551  -0.321  -1.515
  113    HE1  PHE  13           HE1      PHE  13   2.052   1.852  -5.661
  114    HE2  PHE  13           HE2      PHE  13   1.550  -1.148  -2.674
  115    HZ   PHE  13           HZ       PHE  13   0.799  -0.061  -4.753
  116    H    THR  14           HN       THR  14   7.920   3.045  -3.134
  117    HA   THR  14           HA       THR  14   9.796   2.469  -0.970
  118    HB   THR  14           HB       THR  14  10.867   4.644  -2.029
  119    HG1  THR  14           HG1      THR  14   9.656   3.614  -4.355
  120   HG21  THR  14          HG21      THR  14  10.914   1.933  -3.365
  121   HG22  THR  14          HG22      THR  14  11.930   2.449  -2.019
  122   HG23  THR  14          HG23      THR  14  12.111   3.205  -3.600
  123    H    ARG  15           HN       ARG  15   6.947   4.002  -1.194
  124    HA   ARG  15           HA       ARG  15   7.659   5.974   0.864
  125    HB2  ARG  15           HB2      ARG  15   5.708   6.459  -1.400
  126    HB3  ARG  15           HB1      ARG  15   6.135   7.600  -0.135
  127    HG2  ARG  15           HG2      ARG  15   8.402   7.733  -0.977
  128    HG3  ARG  15           HG1      ARG  15   8.039   6.522  -2.205
  129    HD2  ARG  15           HD2      ARG  15   7.982   8.745  -3.169
  130    HD3  ARG  15           HD1      ARG  15   6.371   8.030  -3.185
  131    HE   ARG  15           HE       ARG  15   6.928   9.696  -0.894
  132   HH11  ARG  15          HH11      ARG  15   5.684   9.605  -4.177
  133   HH12  ARG  15          HH12      ARG  15   4.761  11.062  -3.997
  134   HH21  ARG  15          HH21      ARG  15   5.723  11.612  -0.669
  135   HH22  ARG  15          HH22      ARG  15   4.788  12.204  -2.004
  136    H    SER  16           HN       SER  16   6.333   6.014   2.581
  137    HA   SER  16           HA       SER  16   4.583   3.826   2.974
  138    HB2  SER  16           HB2      SER  16   4.081   5.081   5.160
  139    HB3  SER  16           HB1      SER  16   5.750   4.585   4.879
  140    HG   SER  16           HG       SER  16   6.336   6.621   4.605
  141    H    ASP  17           HN       ASP  17   4.037   7.250   2.284
  142    HA   ASP  17           HA       ASP  17   1.228   7.218   2.622
  143    HB2  ASP  17           HB2      ASP  17   2.500   9.318   2.458
  144    HB3  ASP  17           HB1      ASP  17   2.891   8.955   0.784
  145    H    GLU  18           HN       GLU  18   3.333   6.338  -0.002
  146    HA   GLU  18           HA       GLU  18   1.368   6.059  -2.008
  147    HB2  GLU  18           HB2      GLU  18   4.109   4.860  -1.659
  148    HB3  GLU  18           HB1      GLU  18   3.108   4.543  -3.069
  149    HG2  GLU  18           HG2      GLU  18   3.863   7.311  -2.193
  150    HG3  GLU  18           HG1      GLU  18   4.832   6.345  -3.312
  151    H    LEU  19           HN       LEU  19   2.871   3.748   0.230
  152    HA   LEU  19           HA       LEU  19   1.372   1.513  -0.619
  153    HB2  LEU  19           HB2      LEU  19   3.347   1.156   0.681
  154    HB3  LEU  19           HB1      LEU  19   2.723   2.131   1.998
  155    HG   LEU  19           HG       LEU  19   0.944   0.437   2.368
  156   HD11  LEU  19          HD11      LEU  19   1.165  -1.760   1.341
  157   HD12  LEU  19          HD12      LEU  19   2.503  -1.175   0.354
  158   HD13  LEU  19          HD13      LEU  19   0.883  -0.515   0.125
  159   HD21  LEU  19          HD21      LEU  19   2.322  -1.103   3.536
  160   HD22  LEU  19          HD22      LEU  19   3.124   0.467   3.600
  161   HD23  LEU  19          HD23      LEU  19   3.693  -0.773   2.482
  162    H    GLN  20           HN       GLN  20   0.816   3.854   1.996
  163    HA   GLN  20           HA       GLN  20  -1.490   2.611   3.020
  164    HB2  GLN  20           HB2      GLN  20  -0.167   4.338   4.207
  165    HB3  GLN  20           HB1      GLN  20  -0.773   5.548   3.087
  166    HG2  GLN  20           HG2      GLN  20  -2.015   5.701   5.108
  167    HG3  GLN  20           HG1      GLN  20  -3.067   5.041   3.862
  168   HE21  GLN  20          HE21      GLN  20  -3.337   4.868   6.725
  169   HE22  GLN  20          HE22      GLN  20  -3.342   3.187   7.129
  170    H    ARG  21           HN       ARG  21  -1.055   5.109   0.557
  171    HA   ARG  21           HA       ARG  21  -3.785   5.571   0.011
  172    HB2  ARG  21           HB2      ARG  21  -1.846   6.954  -0.799
  173    HB3  ARG  21           HB1      ARG  21  -1.511   5.689  -1.968
  174    HG2  ARG  21           HG2      ARG  21  -3.777   6.023  -2.909
  175    HG3  ARG  21           HG1      ARG  21  -3.991   7.382  -1.801
  176    HD2  ARG  21           HD2      ARG  21  -2.006   7.110  -4.045
  177    HD3  ARG  21           HD1      ARG  21  -3.291   8.304  -3.870
  178    HE   ARG  21           HE       ARG  21  -1.380   8.394  -1.737
  179   HH11  ARG  21          HH11      ARG  21  -2.105   9.502  -4.971
  180   HH12  ARG  21          HH12      ARG  21  -1.031  10.861  -4.881
  181   HH21  ARG  21          HH21      ARG  21   0.038  10.152  -1.606
  182   HH22  ARG  21          HH22      ARG  21   0.191  11.229  -2.965
  183    H    HIS  22           HN       HIS  22  -1.424   3.332  -1.380
  184    HA   HIS  22           HA       HIS  22  -3.043   2.095  -3.258
  185    HB2  HIS  22           HB2      HIS  22  -0.704   1.616  -3.274
  186    HB3  HIS  22           HB1      HIS  22  -0.737   1.054  -1.606
  187    HD1  HIS  22           HD1      HIS  22  -1.258  -0.123  -5.113
  188    HD2  HIS  22           HD2      HIS  22  -1.875  -1.486  -1.220
  189    HE1  HIS  22           HE1      HIS  22  -1.877  -2.591  -5.287
  190    H    LYS  23           HN       LYS  23  -2.617   1.358   0.187
  191    HA   LYS  23           HA       LYS  23  -4.355  -0.843   0.296
  192    HB2  LYS  23           HB2      LYS  23  -3.593   1.163   2.413
  193    HB3  LYS  23           HB1      LYS  23  -4.543  -0.280   2.738
  194    HG2  LYS  23           HG2      LYS  23  -2.680  -1.670   1.947
  195    HG3  LYS  23           HG1      LYS  23  -1.723  -0.210   1.684
  196    HD2  LYS  23           HD2      LYS  23  -1.857   0.325   4.050
  197    HD3  LYS  23           HD1      LYS  23  -2.873  -1.091   4.327
  198    HE2  LYS  23           HE2      LYS  23  -1.027  -2.530   3.551
  199    HE3  LYS  23           HE1      LYS  23  -0.015  -1.099   3.363
  200    HZ1  LYS  23           HZ1      LYS  23   0.391  -2.257   5.459
  201    HZ2  LYS  23           HZ2      LYS  23  -1.216  -2.011   5.918
  202    HZ3  LYS  23           HZ3      LYS  23  -0.185  -0.688   5.721
  203    H    ARG  24           HN       ARG  24  -4.946   2.609   0.354
  204    HA   ARG  24           HA       ARG  24  -7.656   2.491   1.188
  205    HB2  ARG  24           HB2      ARG  24  -6.290   4.566   1.191
  206    HB3  ARG  24           HB1      ARG  24  -6.326   4.567  -0.565
  207    HG2  ARG  24           HG2      ARG  24  -8.775   4.768  -0.493
  208    HG3  ARG  24           HG1      ARG  24  -8.700   4.837   1.268
  209    HD2  ARG  24           HD2      ARG  24  -7.339   6.860   1.133
  210    HD3  ARG  24           HD1      ARG  24  -7.395   6.786  -0.628
  211    HE   ARG  24           HE       ARG  24 -10.015   6.809   0.455
  212   HH11  ARG  24          HH11      ARG  24  -8.229  10.331  -0.275
  213   HH12  ARG  24          HH12      ARG  24  -7.272   8.889  -0.166
  214   HH21  ARG  24          HH21      ARG  24 -10.515  10.222   0.000
  215   HH22  ARG  24          HH22      ARG  24 -11.278   8.696   0.310
  216    H    THR  25           HN       THR  25  -6.121   1.522  -1.670
  217    HA   THR  25           HA       THR  25  -8.457   1.838  -3.352
  218    HB   THR  25           HB       THR  25  -5.935   0.275  -3.940
  219    HG1  THR  25           HG1      THR  25  -5.799   2.670  -3.406
  220   HG21  THR  25          HG21      THR  25  -8.014   1.505  -5.758
  221   HG22  THR  25          HG22      THR  25  -7.820  -0.216  -5.432
  222   HG23  THR  25          HG23      THR  25  -6.553   0.669  -6.281
  223    H    HIS  26           HN       HIS  26  -7.141  -0.498  -1.175
  224    HA   HIS  26           HA       HIS  26  -8.834  -2.642  -2.158
  225    HB2  HIS  26           HB2      HIS  26  -7.033  -2.422   0.257
  226    HB3  HIS  26           HB1      HIS  26  -8.058  -3.817  -0.046
  227    HD1  HIS  26           HD1      HIS  26  -7.507  -5.007  -2.541
  228    HD2  HIS  26           HD2      HIS  26  -4.571  -2.669  -0.718
  229    HE1  HIS  26           HE1      HIS  26  -5.280  -5.692  -3.579
  230    H    THR  27           HN       THR  27  -8.679  -0.356   0.525
  231    HA   THR  27           HA       THR  27 -11.200  -1.261   1.624
  232    HB   THR  27           HB       THR  27 -10.886   0.777   3.123
  233    HG1  THR  27           HG1      THR  27  -9.265   2.066   2.699
  234   HG21  THR  27          HG21      THR  27  -8.717  -1.323   3.052
  235   HG22  THR  27          HG22      THR  27 -10.284  -1.473   3.847
  236   HG23  THR  27          HG23      THR  27  -9.104  -0.301   4.434
  237    H    GLY  28           HN       GLY  28 -10.475   0.432  -1.029
  238    HA2  GLY  28           HA2      GLY  28 -12.484   2.511  -0.768
  239    HA3  GLY  28           HA1      GLY  28 -11.448   2.230  -2.161
  240    H    GLU  29           HN       GLU  29 -14.489   2.465  -1.664
  241    HA   GLU  29           HA       GLU  29 -15.467  -0.111  -2.473
  242    HB2  GLU  29           HB2      GLU  29 -17.669   1.010  -2.583
  243    HB3  GLU  29           HB1      GLU  29 -16.861   1.269  -1.045
  244    HG2  GLU  29           HG2      GLU  29 -16.213   3.501  -1.734
  245    HG3  GLU  29           HG1      GLU  29 -16.936   3.240  -3.318
  246    H    LYS  30           HN       LYS  30 -16.225  -0.722  -4.464
  247    HA   LYS  30           HA       LYS  30 -15.690   1.150  -6.671
  248    HB2  LYS  30           HB2      LYS  30 -15.332  -1.856  -6.721
  249    HB3  LYS  30           HB1      LYS  30 -15.052  -0.762  -8.069
  250    HG2  LYS  30           HG2      LYS  30 -13.286   0.351  -6.689
  251    HG3  LYS  30           HG1      LYS  30 -13.495  -0.935  -5.500
  252    HD2  LYS  30           HD2      LYS  30 -12.696  -1.315  -8.386
  253    HD3  LYS  30           HD1      LYS  30 -11.608  -1.382  -7.001
  254    HE2  LYS  30           HE2      LYS  30 -13.951  -3.222  -7.485
  255    HE3  LYS  30           HE1      LYS  30 -12.261  -3.619  -7.788
  256    HZ1  LYS  30           HZ1      LYS  30 -11.817  -3.316  -5.425
  257    HZ2  LYS  30           HZ2      LYS  30 -12.998  -4.502  -5.674
  258    HZ3  LYS  30           HZ3      LYS  30 -13.445  -2.963  -5.145
  259    HN1  NH2  31           HN1      NH2  31 -17.797   1.836  -6.757
  260    HN2  NH2  31           HN2      NH2  31 -19.103   0.824  -7.273
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1  14.371  -0.248   3.060
    2    H2   ARG   1           HT2      ARG   1  14.338  -1.588   2.034
    3    H3   ARG   1           HT3      ARG   1  15.139  -1.685   3.517
    4    HA   ARG   1           HA       ARG   1  13.034  -2.827   3.639
    5    HB2  ARG   1           HB2      ARG   1  12.869  -0.202   5.131
    6    HB3  ARG   1           HB1      ARG   1  12.150  -1.734   5.601
    7    HG2  ARG   1           HG2      ARG   1  14.326  -2.682   6.020
    8    HG3  ARG   1           HG1      ARG   1  15.112  -1.221   5.416
    9    HD2  ARG   1           HD2      ARG   1  15.137  -1.148   7.811
   10    HD3  ARG   1           HD1      ARG   1  13.992   0.059   7.231
   11    HE   ARG   1           HE       ARG   1  12.973  -2.566   8.032
   12   HH11  ARG   1          HH11      ARG   1  12.032   0.876   9.886
   13   HH12  ARG   1          HH12      ARG   1  13.263   0.869   8.665
   14   HH21  ARG   1          HH21      ARG   1  11.366  -2.561   9.643
   15   HH22  ARG   1          HH22      ARG   1  10.957  -1.080  10.448
   16    HA   PRO   2           HA       PRO   2  10.303  -0.581   0.826
   17    HB2  PRO   2           HB2      PRO   2   9.120  -2.691  -0.304
   18    HB3  PRO   2           HB1      PRO   2  10.791  -2.256  -0.692
   19    HG2  PRO   2           HG2      PRO   2   9.759  -4.418   1.084
   20    HG3  PRO   2           HG1      PRO   2  11.155  -4.432  -0.005
   21    HD2  PRO   2           HD2      PRO   2  11.249  -4.017   2.759
   22    HD3  PRO   2           HD1      PRO   2  12.539  -3.609   1.611
   23    H    PHE   3           HN       PHE   3   8.087  -0.221   0.667
   24    HA   PHE   3           HA       PHE   3   6.503  -1.148   2.947
   25    HB2  PHE   3           HB2      PHE   3   6.032   1.099   0.971
   26    HB3  PHE   3           HB1      PHE   3   4.982   0.711   2.325
   27    HD1  PHE   3           HD1      PHE   3   8.046   2.305   1.274
   28    HD2  PHE   3           HD2      PHE   3   5.744   1.089   4.638
   29    HE1  PHE   3           HE1      PHE   3   9.382   3.783   2.717
   30    HE2  PHE   3           HE2      PHE   3   7.077   2.562   6.088
   31    HZ   PHE   3           HZ       PHE   3   8.873   3.924   5.138
   32    H    NLE   4           HN       NLE   4   5.844  -3.161   2.278
   33    HA   NLE   4           HA       NLE   4   4.811  -3.447  -0.439
   34    HB2  NLE   4           HB1      NLE   4   5.446  -5.593   1.586
   35    HB3  NLE   4           HB2      NLE   4   6.585  -4.995   0.390
   36    HG2  NLE   4           HG1      NLE   4   5.073  -5.764  -1.398
   37    HG3  NLE   4           HG2      NLE   4   3.994  -6.425  -0.167
   38    HD2  NLE   4           HD1      NLE   4   5.768  -7.914   0.610
   39    HD3  NLE   4           HD2      NLE   4   6.869  -7.242  -0.604
   40    HE1  NLE   4           HE1      NLE   4   5.359  -8.006  -2.377
   41    HE2  NLE   4           HE2      NLE   4   4.291  -8.704  -1.158
   42    HE3  NLE   4           HE3      NLE   4   5.919  -9.346  -1.376
   43    H    CYS   5           HN       CYS   5   2.778  -3.946  -0.920
   44    HA   CYS   5           HA       CYS   5   0.694  -3.667   0.947
   45    HB2  CYS   5           HB2      CYS   5   0.212  -3.180  -1.326
   46    HB3  CYS   5           HB1      CYS   5   0.799  -4.751  -1.862
   47    H    THR   6           HN       THR   6  -0.448  -5.119   2.131
   48    HA   THR   6           HA       THR   6   0.585  -7.874   2.144
   49    HB   THR   6           HB       THR   6  -0.305  -7.900   4.520
   50    HG1  THR   6           HG1      THR   6  -1.653  -6.117   4.528
   51   HG21  THR   6          HG21      THR   6   1.882  -5.925   3.854
   52   HG22  THR   6          HG22      THR   6   2.079  -7.669   4.031
   53   HG23  THR   6          HG23      THR   6   1.630  -6.688   5.426
   54    H    TRP   7           HN       TRP   7  -1.721  -6.758   0.524
   55    HA   TRP   7           HA       TRP   7  -3.902  -8.328   1.707
   56    HB2  TRP   7           HB2      TRP   7  -4.310  -5.917   1.104
   57    HB3  TRP   7           HB1      TRP   7  -4.095  -6.373  -0.580
   58    HD1  TRP   7           HD1      TRP   7  -5.981  -8.011  -1.643
   59    HE1  TRP   7           HE1      TRP   7  -8.457  -8.338  -1.025
   60    HE3  TRP   7           HE3      TRP   7  -5.920  -5.931   3.013
   61    HZ2  TRP   7           HZ2      TRP   7 -10.159  -7.777   1.156
   62    HZ3  TRP   7           HZ3      TRP   7  -8.013  -5.859   4.303
   63    HH2  TRP   7           HH2      TRP   7 -10.088  -6.763   3.390
   64    H    ORN   8           HT1      ORN   8  -2.924 -13.944  -4.438
   65    HA   ORN   8           HA       ORN   8  -3.490 -11.813  -3.498
   66    HB2  ORN   8           HB1      ORN   8  -0.764 -12.816  -2.645
   67    HB3  ORN   8           HB2      ORN   8  -2.305 -13.470  -2.110
   68    HG2  ORN   8           HG1      ORN   8  -1.376 -10.652  -1.608
   69    HG3  ORN   8           HG2      ORN   8  -1.249 -11.983  -0.455
   70    HD2  ORN   8           HD1      ORN   8  -3.613 -12.190  -0.308
   71    HD3  ORN   8           HD2      ORN   8  -3.859 -11.096  -1.665
   72    HE1  ORN   8           HE       ORN   8  -3.267 -10.368   1.072
   73    HT3  ORN   8           HT3      ORN   8  -2.893 -12.737  -5.620
   74    H    CYS   9           HN       CYS   9  -3.196  -9.648  -3.423
   75    HA   CYS   9           HA       CYS   9  -1.410  -8.454  -5.300
   76    HB2  CYS   9           HB2      CYS   9  -3.612  -7.489  -4.816
   77    HB3  CYS   9           HB1      CYS   9  -3.137  -7.232  -3.142
   78    H    GLY  10           HN       GLY  10   0.546  -7.468  -4.926
   79    HA2  GLY  10           HA2      GLY  10   1.493  -7.130  -2.202
   80    HA3  GLY  10           HA1      GLY  10   2.304  -8.375  -3.139
   81    H    LYS  11           HN       LYS  11   1.094  -5.197  -4.124
   82    HA   LYS  11           HA       LYS  11   3.477  -4.593  -5.547
   83    HB2  LYS  11           HB2      LYS  11   1.212  -2.788  -4.673
   84    HB3  LYS  11           HB1      LYS  11   2.497  -2.317  -5.777
   85    HG2  LYS  11           HG2      LYS  11   1.753  -4.229  -7.248
   86    HG3  LYS  11           HG1      LYS  11   0.331  -4.350  -6.210
   87    HD2  LYS  11           HD2      LYS  11  -0.228  -2.023  -6.712
   88    HD3  LYS  11           HD1      LYS  11   1.191  -1.904  -7.752
   89    HE2  LYS  11           HE2      LYS  11   0.266  -3.719  -9.154
   90    HE3  LYS  11           HE1      LYS  11  -1.179  -3.723  -8.147
   91    HZ1  LYS  11           HZ1      LYS  11  -1.532  -1.389  -8.771
   92    HZ2  LYS  11           HZ2      LYS  11  -1.564  -2.420 -10.109
   93    HZ3  LYS  11           HZ3      LYS  11  -0.201  -1.469  -9.809
   94    H    ARG  12           HN       ARG  12   5.280  -3.565  -4.904
   95    HA   ARG  12           HA       ARG  12   5.405  -2.775  -2.082
   96    HB2  ARG  12           HB2      ARG  12   7.809  -3.108  -2.209
   97    HB3  ARG  12           HB1      ARG  12   6.982  -4.549  -2.785
   98    HG2  ARG  12           HG2      ARG  12   7.451  -3.980  -5.062
   99    HG3  ARG  12           HG1      ARG  12   8.116  -2.418  -4.581
  100    HD2  ARG  12           HD2      ARG  12   9.856  -3.660  -3.278
  101    HD3  ARG  12           HD1      ARG  12   9.242  -5.153  -3.992
  102    HE   ARG  12           HE       ARG  12   9.748  -3.507  -6.123
  103   HH11  ARG  12          HH11      ARG  12  11.627  -4.841  -3.487
  104   HH12  ARG  12          HH12      ARG  12  13.122  -4.790  -4.361
  105   HH21  ARG  12          HH21      ARG  12  13.178  -3.989  -6.508
  106   HH22  ARG  12          HH22      ARG  12  11.727  -3.412  -7.263
  107    H    PHE  13           HN       PHE  13   6.126  -0.798  -1.461
  108    HA   PHE  13           HA       PHE  13   6.566   1.173  -3.604
  109    HB2  PHE  13           HB2      PHE  13   4.981   1.554  -1.052
  110    HB3  PHE  13           HB1      PHE  13   5.269   2.785  -2.280
  111    HD1  PHE  13           HD1      PHE  13   4.105   2.732  -4.389
  112    HD2  PHE  13           HD2      PHE  13   3.445  -0.266  -1.449
  113    HE1  PHE  13           HE1      PHE  13   2.095   1.997  -5.598
  114    HE2  PHE  13           HE2      PHE  13   1.430  -1.008  -2.647
  115    HZ   PHE  13           HZ       PHE  13   0.754   0.124  -4.725
  116    H    THR  14           HN       THR  14   7.912   2.958  -3.035
  117    HA   THR  14           HA       THR  14   9.850   2.301  -0.960
  118    HB   THR  14           HB       THR  14  11.077   4.311  -1.978
  119    HG1  THR  14           HG1      THR  14  10.360   4.846  -4.106
  120   HG21  THR  14          HG21      THR  14  11.892   2.998  -3.882
  121   HG22  THR  14          HG22      THR  14  10.510   1.915  -3.728
  122   HG23  THR  14          HG23      THR  14  11.716   1.991  -2.444
  123    H    ARG  15           HN       ARG  15   7.024   3.909  -1.041
  124    HA   ARG  15           HA       ARG  15   7.820   5.694   1.141
  125    HB2  ARG  15           HB2      ARG  15   6.068   6.486  -1.197
  126    HB3  ARG  15           HB1      ARG  15   6.317   7.460   0.243
  127    HG2  ARG  15           HG2      ARG  15   8.474   6.639  -1.685
  128    HG3  ARG  15           HG1      ARG  15   7.663   8.204  -1.670
  129    HD2  ARG  15           HD2      ARG  15   8.520   8.655   0.548
  130    HD3  ARG  15           HD1      ARG  15   9.248   7.056   0.624
  131    HE   ARG  15           HE       ARG  15  10.673   7.798  -1.268
  132   HH11  ARG  15          HH11      ARG  15   9.219  10.172   0.853
  133   HH12  ARG  15          HH12      ARG  15  10.450  11.358   0.570
  134   HH21  ARG  15          HH21      ARG  15  12.290   9.356  -1.641
  135   HH22  ARG  15          HH22      ARG  15  12.194  10.895  -0.851
  136    H    SER  16           HN       SER  16   6.432   5.711   2.804
  137    HA   SER  16           HA       SER  16   4.537   3.640   3.021
  138    HB2  SER  16           HB2      SER  16   5.766   4.564   4.961
  139    HB3  SER  16           HB1      SER  16   4.863   6.068   4.805
  140    HG   SER  16           HG       SER  16   4.133   4.256   6.326
  141    H    ASP  17           HN       ASP  17   4.224   7.078   2.344
  142    HA   ASP  17           HA       ASP  17   1.416   7.218   2.595
  143    HB2  ASP  17           HB2      ASP  17   1.681   9.303   1.181
  144    HB3  ASP  17           HB1      ASP  17   2.606   9.265   2.673
  145    H    GLU  18           HN       GLU  18   3.531   6.389  -0.084
  146    HA   GLU  18           HA       GLU  18   1.557   6.210  -2.088
  147    HB2  GLU  18           HB2      GLU  18   4.154   4.706  -1.735
  148    HB3  GLU  18           HB1      GLU  18   3.153   4.603  -3.174
  149    HG2  GLU  18           HG2      GLU  18   4.397   7.128  -2.119
  150    HG3  GLU  18           HG1      GLU  18   5.068   6.125  -3.407
  151    H    LEU  19           HN       LEU  19   2.884   3.816   0.168
  152    HA   LEU  19           HA       LEU  19   1.283   1.664  -0.692
  153    HB2  LEU  19           HB2      LEU  19   3.245   1.221   0.611
  154    HB3  LEU  19           HB1      LEU  19   2.647   2.197   1.938
  155    HG   LEU  19           HG       LEU  19   0.838   0.567   2.327
  156   HD11  LEU  19          HD11      LEU  19   2.218  -1.069   0.200
  157   HD12  LEU  19          HD12      LEU  19   0.645  -0.288   0.041
  158   HD13  LEU  19          HD13      LEU  19   0.866  -1.589   1.207
  159   HD21  LEU  19          HD21      LEU  19   3.034   0.407   3.489
  160   HD22  LEU  19          HD22      LEU  19   3.539  -0.770   2.273
  161   HD23  LEU  19          HD23      LEU  19   2.183  -1.131   3.340
  162    H    GLN  20           HN       GLN  20   0.775   4.137   1.779
  163    HA   GLN  20           HA       GLN  20  -1.559   3.034   2.895
  164    HB2  GLN  20           HB2      GLN  20  -0.640   5.904   2.713
  165    HB3  GLN  20           HB1      GLN  20  -2.023   5.376   3.659
  166    HG2  GLN  20           HG2      GLN  20  -0.598   4.006   5.045
  167    HG3  GLN  20           HG1      GLN  20   0.801   4.414   4.056
  168   HE21  GLN  20          HE21      GLN  20   1.948   5.321   5.713
  169   HE22  GLN  20          HE22      GLN  20   1.505   6.815   6.462
  170    H    ARG  21           HN       ARG  21  -1.093   5.378   0.271
  171    HA   ARG  21           HA       ARG  21  -3.802   5.788  -0.334
  172    HB2  ARG  21           HB2      ARG  21  -1.858   7.090  -1.258
  173    HB3  ARG  21           HB1      ARG  21  -1.531   5.733  -2.321
  174    HG2  ARG  21           HG2      ARG  21  -3.774   5.992  -3.306
  175    HG3  ARG  21           HG1      ARG  21  -4.028   7.411  -2.287
  176    HD2  ARG  21           HD2      ARG  21  -3.332   8.139  -4.472
  177    HD3  ARG  21           HD1      ARG  21  -2.034   8.456  -3.325
  178    HE   ARG  21           HE       ARG  21  -2.065   6.236  -5.269
  179   HH11  ARG  21          HH11      ARG  21  -0.338   8.495  -3.227
  180   HH12  ARG  21          HH12      ARG  21   1.228   8.050  -3.835
  181   HH21  ARG  21          HH21      ARG  21  -0.002   5.640  -6.063
  182   HH22  ARG  21          HH22      ARG  21   1.422   6.426  -5.438
  183    H    HIS  22           HN       HIS  22  -1.469   3.447  -1.633
  184    HA   HIS  22           HA       HIS  22  -3.198   2.108  -3.369
  185    HB2  HIS  22           HB2      HIS  22  -0.836   1.700  -3.537
  186    HB3  HIS  22           HB1      HIS  22  -0.754   1.144  -1.866
  187    HD1  HIS  22           HD1      HIS  22  -1.651  -0.008  -5.319
  188    HD2  HIS  22           HD2      HIS  22  -1.744  -1.443  -1.400
  189    HE1  HIS  22           HE1      HIS  22  -2.266  -2.475  -5.456
  190    H    LYS  23           HN       LYS  23  -2.426   1.520   0.016
  191    HA   LYS  23           HA       LYS  23  -3.794  -0.845   0.444
  192    HB2  LYS  23           HB2      LYS  23  -2.243   0.212   2.038
  193    HB3  LYS  23           HB1      LYS  23  -3.414   1.486   2.334
  194    HG2  LYS  23           HG2      LYS  23  -3.443  -0.074   4.150
  195    HG3  LYS  23           HG1      LYS  23  -4.959  -0.191   3.256
  196    HD2  LYS  23           HD2      LYS  23  -4.415  -2.253   2.353
  197    HD3  LYS  23           HD1      LYS  23  -2.684  -2.022   2.611
  198    HE2  LYS  23           HE2      LYS  23  -3.746  -3.672   4.150
  199    HE3  LYS  23           HE1      LYS  23  -2.915  -2.347   4.962
  200    HZ1  LYS  23           HZ1      LYS  23  -5.852  -2.501   4.510
  201    HZ2  LYS  23           HZ2      LYS  23  -5.033  -1.280   5.346
  202    HZ3  LYS  23           HZ3      LYS  23  -5.065  -2.853   5.968
  203    H    ARG  24           HN       ARG  24  -4.975   2.433   0.218
  204    HA   ARG  24           HA       ARG  24  -7.537   1.874   1.347
  205    HB2  ARG  24           HB2      ARG  24  -6.462   4.211  -0.220
  206    HB3  ARG  24           HB1      ARG  24  -8.111   4.147   0.390
  207    HG2  ARG  24           HG2      ARG  24  -7.299   3.973   2.664
  208    HG3  ARG  24           HG1      ARG  24  -5.633   3.937   2.087
  209    HD2  ARG  24           HD2      ARG  24  -5.856   6.187   1.211
  210    HD3  ARG  24           HD1      ARG  24  -7.554   6.224   1.682
  211    HE   ARG  24           HE       ARG  24  -6.299   5.710   4.015
  212   HH11  ARG  24          HH11      ARG  24  -5.263   9.355   2.690
  213   HH12  ARG  24          HH12      ARG  24  -5.819   8.158   1.565
  214   HH21  ARG  24          HH21      ARG  24  -5.132   8.865   4.924
  215   HH22  ARG  24          HH22      ARG  24  -5.592   7.295   5.506
  216    H    THR  25           HN       THR  25  -6.258   0.874  -1.545
  217    HA   THR  25           HA       THR  25  -8.701   1.030  -3.077
  218    HB   THR  25           HB       THR  25  -7.652  -0.472  -4.676
  219    HG1  THR  25           HG1      THR  25  -5.307  -0.604  -3.099
  220   HG21  THR  25          HG21      THR  25  -7.014   1.862  -4.841
  221   HG22  THR  25          HG22      THR  25  -5.645   0.831  -5.258
  222   HG23  THR  25          HG23      THR  25  -5.712   1.611  -3.678
  223    H    HIS  26           HN       HIS  26  -7.149  -1.159  -0.860
  224    HA   HIS  26           HA       HIS  26  -9.200  -3.199  -1.268
  225    HB2  HIS  26           HB2      HIS  26  -6.908  -3.270   0.699
  226    HB3  HIS  26           HB1      HIS  26  -7.886  -4.622   0.155
  227    HD1  HIS  26           HD1      HIS  26  -7.529  -5.108  -2.622
  228    HD2  HIS  26           HD2      HIS  26  -4.541  -3.132  -0.477
  229    HE1  HIS  26           HE1      HIS  26  -5.350  -5.459  -3.906
  230    H    THR  27           HN       THR  27  -7.819  -1.188   1.288
  231    HA   THR  27           HA       THR  27 -10.025  -1.899   3.062
  232    HB   THR  27           HB       THR  27  -7.541  -0.313   3.728
  233    HG1  THR  27           HG1      THR  27  -8.028  -3.094   3.588
  234   HG21  THR  27          HG21      THR  27  -8.047  -0.952   6.023
  235   HG22  THR  27          HG22      THR  27  -9.453  -1.863   5.478
  236   HG23  THR  27          HG23      THR  27  -9.424  -0.108   5.313
  237    H    GLY  28           HN       GLY  28 -11.598  -0.636   1.996
  238    HA2  GLY  28           HA2      GLY  28 -11.511   2.167   2.859
  239    HA3  GLY  28           HA1      GLY  28 -11.945   1.806   1.192
  240    H    GLU  29           HN       GLU  29 -13.845   0.540   0.805
  241    HA   GLU  29           HA       GLU  29 -15.741   0.521   3.056
  242    HB2  GLU  29           HB2      GLU  29 -16.307   2.193   1.283
  243    HB3  GLU  29           HB1      GLU  29 -16.404   0.875   0.123
  244    HG2  GLU  29           HG2      GLU  29 -18.216  -0.131   1.432
  245    HG3  GLU  29           HG1      GLU  29 -18.144   1.228   2.552
  246    H    LYS  30           HN       LYS  30 -14.787  -1.007   0.013
  247    HA   LYS  30           HA       LYS  30 -16.306  -3.400   0.660
  248    HB2  LYS  30           HB2      LYS  30 -14.516  -2.898  -1.727
  249    HB3  LYS  30           HB1      LYS  30 -15.726  -4.161  -1.560
  250    HG2  LYS  30           HG2      LYS  30 -16.257  -1.201  -1.737
  251    HG3  LYS  30           HG1      LYS  30 -16.520  -2.392  -3.011
  252    HD2  LYS  30           HD2      LYS  30 -18.186  -3.517  -1.626
  253    HD3  LYS  30           HD1      LYS  30 -17.906  -2.351  -0.331
  254    HE2  LYS  30           HE2      LYS  30 -19.908  -1.789  -1.607
  255    HE3  LYS  30           HE1      LYS  30 -18.672  -0.544  -1.774
  256    HZ1  LYS  30           HZ1      LYS  30 -18.089  -1.425  -3.923
  257    HZ2  LYS  30           HZ2      LYS  30 -19.747  -1.096  -3.885
  258    HZ3  LYS  30           HZ3      LYS  30 -19.200  -2.689  -3.758
  259    HN1  NH2  31           HN1      NH2  31 -13.042  -3.033  -0.652
  260    HN2  NH2  31           HN2      NH2  31 -12.275  -4.112   0.456
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1  14.187   0.183   2.884
    2    H2   ARG   1           HT2      ARG   1  14.677  -0.658   4.267
    3    H3   ARG   1           HT3      ARG   1  13.284   0.298   4.309
    4    HA   ARG   1           HA       ARG   1  13.636  -2.099   2.619
    5    HB2  ARG   1           HB2      ARG   1  12.143  -3.248   4.155
    6    HB3  ARG   1           HB1      ARG   1  13.542  -2.653   5.032
    7    HG2  ARG   1           HG2      ARG   1  12.219  -0.775   5.865
    8    HG3  ARG   1           HG1      ARG   1  10.813  -1.379   4.986
    9    HD2  ARG   1           HD2      ARG   1  10.959  -3.483   6.293
   10    HD3  ARG   1           HD1      ARG   1  12.289  -2.779   7.214
   11    HE   ARG   1           HE       ARG   1  10.151  -1.012   7.380
   12   HH11  ARG   1          HH11      ARG   1   9.865  -4.249   9.741
   13   HH12  ARG   1          HH12      ARG   1  10.923  -4.274   8.368
   14   HH21  ARG   1          HH21      ARG   1   8.768  -0.958   9.199
   15   HH22  ARG   1          HH22      ARG   1   8.635  -2.356  10.216
   16    HA   PRO   2           HA       PRO   2  10.253  -0.357   0.412
   17    HB2  PRO   2           HB2      PRO   2   9.272  -2.555  -0.816
   18    HB3  PRO   2           HB1      PRO   2  10.813  -1.816  -1.275
   19    HG2  PRO   2           HG2      PRO   2  10.292  -4.215   0.435
   20    HG3  PRO   2           HG1      PRO   2  11.531  -3.976  -0.812
   21    HD2  PRO   2           HD2      PRO   2  12.033  -3.749   1.859
   22    HD3  PRO   2           HD1      PRO   2  12.932  -2.851   0.621
   23    H    PHE   3           HN       PHE   3   8.125   0.023   0.610
   24    HA   PHE   3           HA       PHE   3   6.716  -1.246   2.808
   25    HB2  PHE   3           HB2      PHE   3   5.979   1.076   1.009
   26    HB3  PHE   3           HB1      PHE   3   5.001   0.508   2.351
   27    HD1  PHE   3           HD1      PHE   3   8.088   2.238   1.407
   28    HD2  PHE   3           HD2      PHE   3   5.607   0.954   4.615
   29    HE1  PHE   3           HE1      PHE   3   9.322   3.710   2.946
   30    HE2  PHE   3           HE2      PHE   3   6.833   2.422   6.158
   31    HZ   PHE   3           HZ       PHE   3   8.697   3.802   5.325
   32    H    NLE   4           HN       NLE   4   6.023  -3.231   2.175
   33    HA   NLE   4           HA       NLE   4   4.853  -3.505  -0.494
   34    HB2  NLE   4           HB1      NLE   4   5.614  -5.673   1.466
   35    HB3  NLE   4           HB2      NLE   4   6.685  -5.053   0.218
   36    HG2  NLE   4           HG1      NLE   4   5.189  -5.844  -1.510
   37    HG3  NLE   4           HG2      NLE   4   4.025  -6.371  -0.293
   38    HD2  NLE   4           HD1      NLE   4   6.836  -7.444  -0.469
   39    HD3  NLE   4           HD2      NLE   4   5.441  -8.207  -1.246
   40    HE1  NLE   4           HE1      NLE   4   5.909  -9.234   0.915
   41    HE2  NLE   4           HE2      NLE   4   4.347  -8.418   0.927
   42    HE3  NLE   4           HE3      NLE   4   5.740  -7.667   1.705
   43    H    CYS   5           HN       CYS   5   2.785  -3.985  -0.842
   44    HA   CYS   5           HA       CYS   5   0.858  -3.901   1.244
   45    HB2  CYS   5           HB2      CYS   5   0.235  -3.171  -0.964
   46    HB3  CYS   5           HB1      CYS   5   0.683  -4.723  -1.658
   47    H    THR   6           HN       THR   6  -0.323  -5.568   2.176
   48    HA   THR   6           HA       THR   6   0.548  -8.303   1.565
   49    HB   THR   6           HB       THR   6   0.334  -8.723   4.094
   50    HG1  THR   6           HG1      THR   6   0.933  -6.730   5.278
   51   HG21  THR   6          HG21      THR   6   2.661  -8.042   4.491
   52   HG22  THR   6          HG22      THR   6   2.609  -7.040   3.042
   53   HG23  THR   6          HG23      THR   6   2.467  -8.792   2.906
   54    H    TRP   7           HN       TRP   7  -1.683  -7.452   0.436
   55    HA   TRP   7           HA       TRP   7  -3.923  -8.195   2.169
   56    HB2  TRP   7           HB2      TRP   7  -3.969  -6.096   0.729
   57    HB3  TRP   7           HB1      TRP   7  -4.068  -7.165  -0.661
   58    HD1  TRP   7           HD1      TRP   7  -6.367  -8.452  -1.060
   59    HE1  TRP   7           HE1      TRP   7  -8.747  -8.051  -0.162
   60    HE3  TRP   7           HE3      TRP   7  -5.238  -5.312   2.799
   61    HZ2  TRP   7           HZ2      TRP   7  -9.978  -6.585   1.921
   62    HZ3  TRP   7           HZ3      TRP   7  -7.070  -4.449   4.198
   63    HH2  TRP   7           HH2      TRP   7  -9.390  -5.071   3.766
   64    H    ORN   8           HT1      ORN   8  -0.933 -13.448  -2.618
   65    HA   ORN   8           HA       ORN   8  -3.159 -11.710  -1.770
   66    HB2  ORN   8           HB1      ORN   8  -1.358 -10.856  -0.161
   67    HB3  ORN   8           HB2      ORN   8  -0.495 -12.343  -0.521
   68    HG2  ORN   8           HG1      ORN   8  -1.731 -12.601   1.520
   69    HG3  ORN   8           HG2      ORN   8  -2.439 -13.629   0.273
   70    HD2  ORN   8           HD1      ORN   8  -4.182 -12.512   1.554
   71    HD3  ORN   8           HD2      ORN   8  -4.187 -11.959  -0.117
   72    HE1  ORN   8           HE       ORN   8  -3.241 -10.416   2.198
   73    HT3  ORN   8           HT3      ORN   8  -2.354 -13.977  -1.872
   74    H    CYS   9           HN       CYS   9  -3.077  -9.663  -2.413
   75    HA   CYS   9           HA       CYS   9  -1.327  -8.789  -4.454
   76    HB2  CYS   9           HB2      CYS   9  -3.512  -7.807  -4.263
   77    HB3  CYS   9           HB1      CYS   9  -3.210  -7.330  -2.599
   78    H    GLY  10           HN       GLY  10   0.681  -7.918  -4.310
   79    HA2  GLY  10           HA2      GLY  10   1.562  -6.834  -1.744
   80    HA3  GLY  10           HA1      GLY  10   2.415  -8.236  -2.363
   81    H    LYS  11           HN       LYS  11   1.230  -5.195  -3.793
   82    HA   LYS  11           HA       LYS  11   3.574  -4.852  -5.370
   83    HB2  LYS  11           HB2      LYS  11   1.390  -2.909  -4.593
   84    HB3  LYS  11           HB1      LYS  11   2.678  -2.533  -5.732
   85    HG2  LYS  11           HG2      LYS  11   1.913  -4.393  -7.158
   86    HG3  LYS  11           HG1      LYS  11   0.577  -4.667  -6.038
   87    HD2  LYS  11           HD2      LYS  11  -0.250  -2.414  -6.462
   88    HD3  LYS  11           HD1      LYS  11   1.094  -2.115  -7.565
   89    HE2  LYS  11           HE2      LYS  11   0.301  -3.980  -8.978
   90    HE3  LYS  11           HE1      LYS  11  -1.077  -4.182  -7.897
   91    HZ1  LYS  11           HZ1      LYS  11  -0.464  -1.740  -9.467
   92    HZ2  LYS  11           HZ2      LYS  11  -1.795  -1.947  -8.445
   93    HZ3  LYS  11           HZ3      LYS  11  -1.652  -2.880  -9.846
   94    H    ARG  12           HN       ARG  12   5.359  -3.557  -5.014
   95    HA   ARG  12           HA       ARG  12   5.769  -2.845  -2.197
   96    HB2  ARG  12           HB2      ARG  12   7.784  -3.355  -4.397
   97    HB3  ARG  12           HB1      ARG  12   8.193  -2.916  -2.744
   98    HG2  ARG  12           HG2      ARG  12   7.136  -4.973  -1.940
   99    HG3  ARG  12           HG1      ARG  12   6.740  -5.413  -3.601
  100    HD2  ARG  12           HD2      ARG  12   9.138  -5.431  -4.148
  101    HD3  ARG  12           HD1      ARG  12   9.512  -5.033  -2.473
  102    HE   ARG  12           HE       ARG  12   7.918  -7.405  -2.736
  103   HH11  ARG  12          HH11      ARG  12  11.183  -6.151  -2.833
  104   HH12  ARG  12          HH12      ARG  12  11.917  -7.669  -2.426
  105   HH21  ARG  12          HH21      ARG  12  10.599  -9.519  -2.049
  106   HH22  ARG  12          HH22      ARG  12   8.875  -9.407  -2.196
  107    H    PHE  13           HN       PHE  13   6.252  -0.830  -1.571
  108    HA   PHE  13           HA       PHE  13   6.401   1.241  -3.662
  109    HB2  PHE  13           HB2      PHE  13   5.007   1.413  -0.984
  110    HB3  PHE  13           HB1      PHE  13   5.091   2.692  -2.193
  111    HD1  PHE  13           HD1      PHE  13   3.877   2.483  -4.299
  112    HD2  PHE  13           HD2      PHE  13   3.506  -0.414  -1.212
  113    HE1  PHE  13           HE1      PHE  13   1.853   1.599  -5.374
  114    HE2  PHE  13           HE2      PHE  13   1.478  -1.300  -2.277
  115    HZ   PHE  13           HZ       PHE  13   0.649  -0.292  -4.365
  116    H    THR  14           HN       THR  14   7.641   3.072  -3.189
  117    HA   THR  14           HA       THR  14   9.920   2.525  -1.524
  118    HB   THR  14           HB       THR  14   9.363   5.124  -2.951
  119    HG1  THR  14           HG1      THR  14  10.449   4.084  -4.767
  120   HG21  THR  14          HG21      THR  14  11.917   3.620  -2.356
  121   HG22  THR  14          HG22      THR  14  11.328   5.034  -1.485
  122   HG23  THR  14          HG23      THR  14  11.802   5.176  -3.177
  123    H    ARG  15           HN       ARG  15   6.986   4.357  -1.290
  124    HA   ARG  15           HA       ARG  15   7.922   5.518   1.249
  125    HB2  ARG  15           HB2      ARG  15   6.284   6.878  -0.898
  126    HB3  ARG  15           HB1      ARG  15   6.577   7.549   0.701
  127    HG2  ARG  15           HG2      ARG  15   8.924   7.715   0.274
  128    HG3  ARG  15           HG1      ARG  15   8.756   6.837  -1.247
  129    HD2  ARG  15           HD2      ARG  15   7.495   9.512  -0.648
  130    HD3  ARG  15           HD1      ARG  15   8.990   9.279  -1.554
  131    HE   ARG  15           HE       ARG  15   7.043   7.720  -2.779
  132   HH11  ARG  15          HH11      ARG  15   7.666  11.109  -2.184
  133   HH12  ARG  15          HH12      ARG  15   6.827  11.646  -3.601
  134   HH21  ARG  15          HH21      ARG  15   5.929   8.413  -4.644
  135   HH22  ARG  15          HH22      ARG  15   5.842  10.114  -5.005
  136    H    SER  16           HN       SER  16   6.436   5.725   2.875
  137    HA   SER  16           HA       SER  16   4.566   3.636   3.056
  138    HB2  SER  16           HB2      SER  16   3.959   4.860   5.241
  139    HB3  SER  16           HB1      SER  16   5.619   4.296   5.056
  140    HG   SER  16           HG       SER  16   4.827   6.743   5.557
  141    H    ASP  17           HN       ASP  17   4.181   7.075   2.400
  142    HA   ASP  17           HA       ASP  17   1.384   7.194   2.662
  143    HB2  ASP  17           HB2      ASP  17   3.318   8.852   1.053
  144    HB3  ASP  17           HB1      ASP  17   1.594   9.185   1.085
  145    H    GLU  18           HN       GLU  18   3.458   6.166   0.061
  146    HA   GLU  18           HA       GLU  18   1.438   6.073  -1.937
  147    HB2  GLU  18           HB2      GLU  18   4.057   4.575  -1.781
  148    HB3  GLU  18           HB1      GLU  18   3.064   4.758  -3.220
  149    HG2  GLU  18           HG2      GLU  18   3.409   7.196  -3.099
  150    HG3  GLU  18           HG1      GLU  18   4.480   6.943  -1.720
  151    H    LEU  19           HN       LEU  19   2.837   3.731   0.314
  152    HA   LEU  19           HA       LEU  19   1.298   1.518  -0.528
  153    HB2  LEU  19           HB2      LEU  19   3.202   1.138   0.865
  154    HB3  LEU  19           HB1      LEU  19   2.565   2.173   2.126
  155    HG   LEU  19           HG       LEU  19   0.735   0.544   2.514
  156   HD11  LEU  19          HD11      LEU  19   2.236  -1.150   0.522
  157   HD12  LEU  19          HD12      LEU  19   0.644  -0.430   0.283
  158   HD13  LEU  19          HD13      LEU  19   0.873  -1.675   1.510
  159   HD21  LEU  19          HD21      LEU  19   3.458  -0.742   2.660
  160   HD22  LEU  19          HD22      LEU  19   2.057  -1.087   3.673
  161   HD23  LEU  19          HD23      LEU  19   2.870   0.474   3.793
  162    H    GLN  20           HN       GLN  20   0.745   3.957   1.993
  163    HA   GLN  20           HA       GLN  20  -1.686   2.963   2.955
  164    HB2  GLN  20           HB2      GLN  20  -0.375   4.747   4.053
  165    HB3  GLN  20           HB1      GLN  20  -0.812   5.853   2.760
  166    HG2  GLN  20           HG2      GLN  20  -2.174   6.263   4.703
  167    HG3  GLN  20           HG1      GLN  20  -3.170   5.639   3.390
  168   HE21  GLN  20          HE21      GLN  20  -4.759   4.972   4.845
  169   HE22  GLN  20          HE22      GLN  20  -4.553   3.574   5.843
  170    H    ARG  21           HN       ARG  21  -1.030   5.324   0.398
  171    HA   ARG  21           HA       ARG  21  -3.629   5.864  -0.432
  172    HB2  ARG  21           HB2      ARG  21  -1.703   7.073  -1.304
  173    HB3  ARG  21           HB1      ARG  21  -1.098   5.613  -2.067
  174    HG2  ARG  21           HG2      ARG  21  -3.066   5.582  -3.532
  175    HG3  ARG  21           HG1      ARG  21  -3.621   7.087  -2.793
  176    HD2  ARG  21           HD2      ARG  21  -1.661   8.248  -3.573
  177    HD3  ARG  21           HD1      ARG  21  -0.961   6.746  -4.168
  178    HE   ARG  21           HE       ARG  21  -3.506   7.625  -5.304
  179   HH11  ARG  21          HH11      ARG  21  -0.050   7.235  -5.640
  180   HH12  ARG  21          HH12      ARG  21  -0.066   7.382  -7.367
  181   HH21  ARG  21          HH21      ARG  21  -3.540   7.835  -7.579
  182   HH22  ARG  21          HH22      ARG  21  -2.057   7.730  -8.472
  183    H    HIS  22           HN       HIS  22  -1.407   3.333  -1.546
  184    HA   HIS  22           HA       HIS  22  -3.116   2.101  -3.368
  185    HB2  HIS  22           HB2      HIS  22  -0.802   1.543  -3.430
  186    HB3  HIS  22           HB1      HIS  22  -0.800   1.058  -1.738
  187    HD1  HIS  22           HD1      HIS  22  -1.640  -0.227  -5.175
  188    HD2  HIS  22           HD2      HIS  22  -1.815  -1.466  -1.196
  189    HE1  HIS  22           HE1      HIS  22  -2.259  -2.701  -5.202
  190    H    LYS  23           HN       LYS  23  -2.592   1.434   0.081
  191    HA   LYS  23           HA       LYS  23  -4.225  -0.819   0.276
  192    HB2  LYS  23           HB2      LYS  23  -3.489   1.265   2.318
  193    HB3  LYS  23           HB1      LYS  23  -4.422  -0.168   2.718
  194    HG2  LYS  23           HG2      LYS  23  -1.630  -0.141   1.590
  195    HG3  LYS  23           HG1      LYS  23  -2.068  -0.447   3.270
  196    HD2  LYS  23           HD2      LYS  23  -2.797  -2.135   0.876
  197    HD3  LYS  23           HD1      LYS  23  -1.631  -2.539   2.135
  198    HE2  LYS  23           HE2      LYS  23  -4.612  -2.210   2.475
  199    HE3  LYS  23           HE1      LYS  23  -3.705  -3.721   2.520
  200    HZ1  LYS  23           HZ1      LYS  23  -3.474  -1.483   4.456
  201    HZ2  LYS  23           HZ2      LYS  23  -2.530  -2.884   4.482
  202    HZ3  LYS  23           HZ3      LYS  23  -4.195  -2.986   4.743
  203    H    ARG  24           HN       ARG  24  -5.055   2.556   0.139
  204    HA   ARG  24           HA       ARG  24  -7.656   2.264   1.252
  205    HB2  ARG  24           HB2      ARG  24  -6.464   4.440  -0.460
  206    HB3  ARG  24           HB1      ARG  24  -8.078   4.520   0.236
  207    HG2  ARG  24           HG2      ARG  24  -7.041   4.238   2.487
  208    HG3  ARG  24           HG1      ARG  24  -5.462   4.376   1.715
  209    HD2  ARG  24           HD2      ARG  24  -7.642   6.461   1.684
  210    HD3  ARG  24           HD1      ARG  24  -6.181   6.507   2.665
  211    HE   ARG  24           HE       ARG  24  -6.140   6.581  -0.283
  212   HH11  ARG  24          HH11      ARG  24  -3.867   8.844   2.137
  213   HH12  ARG  24          HH12      ARG  24  -4.955   7.687   2.831
  214   HH21  ARG  24          HH21      ARG  24  -3.720   9.080  -0.142
  215   HH22  ARG  24          HH22      ARG  24  -4.720   8.110  -1.180
  216    H    THR  25           HN       THR  25  -6.415   1.189  -1.664
  217    HA   THR  25           HA       THR  25  -8.897   1.352  -3.123
  218    HB   THR  25           HB       THR  25  -7.867  -0.097  -4.780
  219    HG1  THR  25           HG1      THR  25  -5.544  -0.219  -3.138
  220   HG21  THR  25          HG21      THR  25  -5.947   1.290  -5.408
  221   HG22  THR  25          HG22      THR  25  -5.934   2.000  -3.794
  222   HG23  THR  25          HG23      THR  25  -7.305   2.276  -4.866
  223    H    HIS  26           HN       HIS  26  -7.241  -0.925  -1.034
  224    HA   HIS  26           HA       HIS  26  -9.084  -3.079  -1.513
  225    HB2  HIS  26           HB2      HIS  26  -7.038  -2.673   0.677
  226    HB3  HIS  26           HB1      HIS  26  -7.976  -4.141   0.454
  227    HD1  HIS  26           HD1      HIS  26  -7.549  -5.214  -2.167
  228    HD2  HIS  26           HD2      HIS  26  -4.619  -2.833  -0.392
  229    HE1  HIS  26           HE1      HIS  26  -5.351  -5.775  -3.329
  230    H    THR  27           HN       THR  27  -8.599  -0.601   0.940
  231    HA   THR  27           HA       THR  27 -10.843  -1.543   2.509
  232    HB   THR  27           HB       THR  27 -10.345   0.471   3.927
  233    HG1  THR  27           HG1      THR  27  -9.341   1.843   2.501
  234   HG21  THR  27          HG21      THR  27  -8.045  -1.411   3.381
  235   HG22  THR  27          HG22      THR  27  -9.393  -1.706   4.478
  236   HG23  THR  27          HG23      THR  27  -8.234  -0.424   4.830
  237    H    GLY  28           HN       GLY  28 -11.803  -1.049   0.090
  238    HA2  GLY  28           HA2      GLY  28 -12.813   1.639  -0.163
  239    HA3  GLY  28           HA1      GLY  28 -13.252   0.259  -1.160
  240    H    GLU  29           HN       GLU  29 -14.742   2.422   0.498
  241    HA   GLU  29           HA       GLU  29 -16.160   1.021   2.515
  242    HB2  GLU  29           HB2      GLU  29 -15.899   3.554   2.241
  243    HB3  GLU  29           HB1      GLU  29 -17.166   3.447   1.027
  244    HG2  GLU  29           HG2      GLU  29 -18.123   4.109   3.118
  245    HG3  GLU  29           HG1      GLU  29 -18.668   2.479   2.721
  246    H    LYS  30           HN       LYS  30 -17.018   1.976  -0.798
  247    HA   LYS  30           HA       LYS  30 -19.025  -0.177  -0.792
  248    HB2  LYS  30           HB2      LYS  30 -19.154   2.538  -2.111
  249    HB3  LYS  30           HB1      LYS  30 -20.255   1.222  -2.500
  250    HG2  LYS  30           HG2      LYS  30 -21.064   1.194  -0.210
  251    HG3  LYS  30           HG1      LYS  30 -19.921   2.466   0.223
  252    HD2  LYS  30           HD2      LYS  30 -21.015   4.007  -1.299
  253    HD3  LYS  30           HD1      LYS  30 -22.122   2.736  -1.823
  254    HE2  LYS  30           HE2      LYS  30 -23.071   2.595   0.393
  255    HE3  LYS  30           HE1      LYS  30 -21.901   3.762   1.003
  256    HZ1  LYS  30           HZ1      LYS  30 -23.999   4.308  -1.025
  257    HZ2  LYS  30           HZ2      LYS  30 -22.868   5.429  -0.462
  258    HZ3  LYS  30           HZ3      LYS  30 -24.029   4.800   0.591
  259    HN1  NH2  31           HN1      NH2  31 -17.405  -1.569  -1.577
  260    HN2  NH2  31           HN2      NH2  31 -16.879  -1.499  -3.221
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  14.239  -0.347   4.998
    2    H2   ARG   1           HT2      ARG   1  12.925   0.660   4.655
    3    H3   ARG   1           HT3      ARG   1  14.074   0.339   3.461
    4    HA   ARG   1           HA       ARG   1  13.437  -1.941   3.349
    5    HB2  ARG   1           HB2      ARG   1  11.641  -2.839   4.692
    6    HB3  ARG   1           HB1      ARG   1  12.817  -2.112   5.778
    7    HG2  ARG   1           HG2      ARG   1  11.425  -0.189   6.100
    8    HG3  ARG   1           HG1      ARG   1  10.296  -0.744   4.863
    9    HD2  ARG   1           HD2      ARG   1   9.371  -1.219   7.031
   10    HD3  ARG   1           HD1      ARG   1   9.819  -2.738   6.257
   11    HE   ARG   1           HE       ARG   1  11.908  -1.738   7.917
   12   HH11  ARG   1          HH11      ARG   1   9.187  -4.251   9.472
   13   HH12  ARG   1          HH12      ARG   1   8.864  -3.459   7.964
   14   HH21  ARG   1          HH21      ARG   1  12.344  -2.782   9.900
   15   HH22  ARG   1          HH22      ARG   1  11.171  -3.871  10.572
   16    HA   PRO   2           HA       PRO   2  10.332  -0.388   0.531
   17    HB2  PRO   2           HB2      PRO   2   9.512  -2.699  -0.585
   18    HB3  PRO   2           HB1      PRO   2  11.088  -1.983  -0.956
   19    HG2  PRO   2           HG2      PRO   2  10.415  -4.222   0.906
   20    HG3  PRO   2           HG1      PRO   2  11.768  -4.080  -0.230
   21    HD2  PRO   2           HD2      PRO   2  11.991  -3.594   2.453
   22    HD3  PRO   2           HD1      PRO   2  13.020  -2.820   1.231
   23    H    PHE   3           HN       PHE   3   8.144  -0.130   0.493
   24    HA   PHE   3           HA       PHE   3   6.699  -1.254   2.764
   25    HB2  PHE   3           HB2      PHE   3   6.021   1.031   0.897
   26    HB3  PHE   3           HB1      PHE   3   5.057   0.542   2.284
   27    HD1  PHE   3           HD1      PHE   3   7.987   2.331   1.155
   28    HD2  PHE   3           HD2      PHE   3   5.935   0.824   4.560
   29    HE1  PHE   3           HE1      PHE   3   9.334   3.787   2.604
   30    HE2  PHE   3           HE2      PHE   3   7.276   2.280   6.019
   31    HZ   PHE   3           HZ       PHE   3   8.982   3.767   5.041
   32    H    NLE   4           HN       NLE   4   6.063  -3.250   2.139
   33    HA   NLE   4           HA       NLE   4   4.850  -3.574  -0.507
   34    HB2  NLE   4           HB1      NLE   4   5.826  -5.666   1.447
   35    HB3  NLE   4           HB2      NLE   4   6.750  -5.044   0.090
   36    HG2  NLE   4           HG1      NLE   4   5.077  -5.949  -1.456
   37    HG3  NLE   4           HG2      NLE   4   4.174  -6.595  -0.084
   38    HD2  NLE   4           HD1      NLE   4   6.097  -7.992   0.526
   39    HD3  NLE   4           HD2      NLE   4   7.002  -7.340  -0.850
   40    HE1  NLE   4           HE1      NLE   4   4.433  -8.910  -1.001
   41    HE2  NLE   4           HE2      NLE   4   6.042  -9.509  -1.401
   42    HE3  NLE   4           HE3      NLE   4   5.308  -8.236  -2.376
   43    H    CYS   5           HN       CYS   5   2.781  -4.068  -0.778
   44    HA   CYS   5           HA       CYS   5   0.930  -3.981   1.368
   45    HB2  CYS   5           HB2      CYS   5   0.237  -3.256  -0.825
   46    HB3  CYS   5           HB1      CYS   5   0.626  -4.823  -1.519
   47    H    THR   6           HN       THR   6  -0.386  -5.649   2.193
   48    HA   THR   6           HA       THR   6   0.532  -8.388   1.731
   49    HB   THR   6           HB       THR   6   0.323  -8.690   4.291
   50    HG1  THR   6           HG1      THR   6  -0.094  -6.909   5.343
   51   HG21  THR   6          HG21      THR   6   2.639  -7.144   3.122
   52   HG22  THR   6          HG22      THR   6   2.442  -8.897   3.106
   53   HG23  THR   6          HG23      THR   6   2.675  -8.048   4.636
   54    H    TRP   7           HN       TRP   7  -1.712  -7.669   0.587
   55    HA   TRP   7           HA       TRP   7  -3.893  -8.364   2.429
   56    HB2  TRP   7           HB2      TRP   7  -4.010  -6.211   1.083
   57    HB3  TRP   7           HB1      TRP   7  -4.175  -7.219  -0.348
   58    HD1  TRP   7           HD1      TRP   7  -6.488  -8.509  -0.686
   59    HE1  TRP   7           HE1      TRP   7  -8.819  -8.175   0.356
   60    HE3  TRP   7           HE3      TRP   7  -5.185  -5.524   3.246
   61    HZ2  TRP   7           HZ2      TRP   7  -9.954  -6.813   2.557
   62    HZ3  TRP   7           HZ3      TRP   7  -6.949  -4.744   4.775
   63    HH2  TRP   7           HH2      TRP   7  -9.284  -5.376   4.435
   64    H    ORN   8           HT1      ORN   8  -2.398 -14.078  -1.838
   65    HA   ORN   8           HA       ORN   8  -3.256 -11.832  -1.662
   66    HB2  ORN   8           HB1      ORN   8  -1.482 -11.018   0.026
   67    HB3  ORN   8           HB2      ORN   8  -0.636 -12.511  -0.351
   68    HG2  ORN   8           HG1      ORN   8  -1.925 -12.842   1.628
   69    HG3  ORN   8           HG2      ORN   8  -2.664 -13.770   0.321
   70    HD2  ORN   8           HD1      ORN   8  -4.362 -12.623   1.657
   71    HD3  ORN   8           HD2      ORN   8  -4.337 -12.016   0.004
   72    HE1  ORN   8           HE       ORN   8  -3.317 -10.593   2.367
   73    HT3  ORN   8           HT3      ORN   8  -2.448 -13.304  -3.339
   74    H    CYS   9           HN       CYS   9  -3.137  -9.727  -2.109
   75    HA   CYS   9           HA       CYS   9  -1.483  -8.799  -4.208
   76    HB2  CYS   9           HB2      CYS   9  -3.691  -7.876  -3.881
   77    HB3  CYS   9           HB1      CYS   9  -3.286  -7.378  -2.244
   78    H    GLY  10           HN       GLY  10   0.439  -7.687  -4.153
   79    HA2  GLY  10           HA2      GLY  10   1.453  -6.663  -1.641
   80    HA3  GLY  10           HA1      GLY  10   2.273  -8.089  -2.244
   81    H    LYS  11           HN       LYS  11   1.162  -4.949  -3.548
   82    HA   LYS  11           HA       LYS  11   3.433  -4.693  -5.262
   83    HB2  LYS  11           HB2      LYS  11   1.376  -2.703  -4.300
   84    HB3  LYS  11           HB1      LYS  11   2.665  -2.282  -5.420
   85    HG2  LYS  11           HG2      LYS  11   1.810  -3.933  -7.010
   86    HG3  LYS  11           HG1      LYS  11   0.511  -4.332  -5.883
   87    HD2  LYS  11           HD2      LYS  11  -0.333  -2.808  -7.548
   88    HD3  LYS  11           HD1      LYS  11  -0.251  -1.979  -5.995
   89    HE2  LYS  11           HE2      LYS  11   1.842  -0.918  -6.667
   90    HE3  LYS  11           HE1      LYS  11   1.784  -1.764  -8.211
   91    HZ1  LYS  11           HZ1      LYS  11   0.976   0.457  -8.489
   92    HZ2  LYS  11           HZ2      LYS  11  -0.139   0.272  -7.237
   93    HZ3  LYS  11           HZ3      LYS  11  -0.326  -0.606  -8.666
   94    H    ARG  12           HN       ARG  12   5.270  -3.389  -4.990
   95    HA   ARG  12           HA       ARG  12   5.898  -2.800  -2.175
   96    HB2  ARG  12           HB2      ARG  12   7.792  -3.245  -4.492
   97    HB3  ARG  12           HB1      ARG  12   8.257  -2.991  -2.817
   98    HG2  ARG  12           HG2      ARG  12   7.141  -5.082  -2.197
   99    HG3  ARG  12           HG1      ARG  12   6.705  -5.340  -3.886
  100    HD2  ARG  12           HD2      ARG  12   9.512  -5.134  -2.797
  101    HD3  ARG  12           HD1      ARG  12   8.698  -6.624  -3.269
  102    HE   ARG  12           HE       ARG  12   8.569  -5.173  -5.529
  103   HH11  ARG  12          HH11      ARG  12  11.234  -5.896  -3.376
  104   HH12  ARG  12          HH12      ARG  12  12.428  -5.841  -4.633
  105   HH21  ARG  12          HH21      ARG  12  11.804  -5.369  -6.800
  106   HH22  ARG  12          HH22      ARG  12  10.134  -5.081  -7.176
  107    H    PHE  13           HN       PHE  13   6.058  -0.762  -1.580
  108    HA   PHE  13           HA       PHE  13   6.433   1.291  -3.660
  109    HB2  PHE  13           HB2      PHE  13   4.996   1.508  -1.004
  110    HB3  PHE  13           HB1      PHE  13   5.153   2.792  -2.202
  111    HD1  PHE  13           HD1      PHE  13   3.861   2.778  -4.216
  112    HD2  PHE  13           HD2      PHE  13   3.533  -0.384  -1.395
  113    HE1  PHE  13           HE1      PHE  13   1.799   2.019  -5.315
  114    HE2  PHE  13           HE2      PHE  13   1.470  -1.149  -2.486
  115    HZ   PHE  13           HZ       PHE  13   0.646  -0.016  -4.480
  116    H    THR  14           HN       THR  14   7.741   3.095  -3.157
  117    HA   THR  14           HA       THR  14   9.811   2.521  -1.182
  118    HB   THR  14           HB       THR  14   9.744   4.829  -3.130
  119    HG1  THR  14           HG1      THR  14   9.954   2.161  -3.641
  120   HG21  THR  14          HG21      THR  14  11.419   4.918  -1.316
  121   HG22  THR  14          HG22      THR  14  12.166   4.752  -2.905
  122   HG23  THR  14          HG23      THR  14  12.044   3.353  -1.838
  123    H    ARG  15           HN       ARG  15   6.922   4.123  -1.327
  124    HA   ARG  15           HA       ARG  15   7.678   5.861   0.916
  125    HB2  ARG  15           HB2      ARG  15   5.752   6.523  -1.321
  126    HB3  ARG  15           HB1      ARG  15   5.978   7.500   0.120
  127    HG2  ARG  15           HG2      ARG  15   8.371   7.778  -0.540
  128    HG3  ARG  15           HG1      ARG  15   7.982   6.968  -2.059
  129    HD2  ARG  15           HD2      ARG  15   7.916   9.382  -2.338
  130    HD3  ARG  15           HD1      ARG  15   6.310   8.690  -2.544
  131    HE   ARG  15           HE       ARG  15   7.111   9.862   0.031
  132   HH11  ARG  15          HH11      ARG  15   5.037   9.876  -2.790
  133   HH12  ARG  15          HH12      ARG  15   3.873  10.953  -2.091
  134   HH21  ARG  15          HH21      ARG  15   5.588  11.301   0.954
  135   HH22  ARG  15          HH22      ARG  15   4.191  11.768   0.038
  136    H    SER  16           HN       SER  16   6.477   5.647   2.676
  137    HA   SER  16           HA       SER  16   4.633   3.542   2.941
  138    HB2  SER  16           HB2      SER  16   4.186   4.733   5.199
  139    HB3  SER  16           HB1      SER  16   5.808   4.116   4.892
  140    HG   SER  16           HG       SER  16   5.091   6.597   5.460
  141    H    ASP  17           HN       ASP  17   4.258   6.977   2.385
  142    HA   ASP  17           HA       ASP  17   1.474   7.140   2.803
  143    HB2  ASP  17           HB2      ASP  17   3.269   8.784   1.010
  144    HB3  ASP  17           HB1      ASP  17   1.596   9.177   1.366
  145    H    GLU  18           HN       GLU  18   3.411   6.133   0.082
  146    HA   GLU  18           HA       GLU  18   1.230   6.085  -1.763
  147    HB2  GLU  18           HB2      GLU  18   4.017   4.951  -1.878
  148    HB3  GLU  18           HB1      GLU  18   2.858   4.794  -3.192
  149    HG2  GLU  18           HG2      GLU  18   3.914   7.368  -2.049
  150    HG3  GLU  18           HG1      GLU  18   4.371   6.635  -3.589
  151    H    LEU  19           HN       LEU  19   2.774   3.781   0.395
  152    HA   LEU  19           HA       LEU  19   1.342   1.517  -0.538
  153    HB2  LEU  19           HB2      LEU  19   3.291   1.187   0.831
  154    HB3  LEU  19           HB1      LEU  19   2.582   2.102   2.147
  155    HG   LEU  19           HG       LEU  19   0.865   0.359   2.438
  156   HD11  LEU  19          HD11      LEU  19   2.408  -1.118   0.313
  157   HD12  LEU  19          HD12      LEU  19   0.775  -0.468   0.153
  158   HD13  LEU  19          HD13      LEU  19   1.096  -1.781   1.284
  159   HD21  LEU  19          HD21      LEU  19   3.046   0.312   3.660
  160   HD22  LEU  19          HD22      LEU  19   3.623  -0.849   2.461
  161   HD23  LEU  19          HD23      LEU  19   2.256  -1.255   3.497
  162    H    GLN  20           HN       GLN  20   0.692   3.867   2.059
  163    HA   GLN  20           HA       GLN  20  -1.762   2.725   2.872
  164    HB2  GLN  20           HB2      GLN  20  -0.819   5.594   3.010
  165    HB3  GLN  20           HB1      GLN  20  -2.255   4.979   3.817
  166    HG2  GLN  20           HG2      GLN  20  -0.859   3.453   5.125
  167    HG3  GLN  20           HG1      GLN  20   0.578   4.096   4.327
  168   HE21  GLN  20          HE21      GLN  20   1.224   6.215   4.771
  169   HE22  GLN  20          HE22      GLN  20   0.696   7.047   6.191
  170    H    ARG  21           HN       ARG  21  -0.966   5.250   0.543
  171    HA   ARG  21           HA       ARG  21  -3.446   5.913  -0.464
  172    HB2  ARG  21           HB2      ARG  21  -1.327   6.958  -1.150
  173    HB3  ARG  21           HB1      ARG  21  -0.861   5.484  -1.977
  174    HG2  ARG  21           HG2      ARG  21  -2.771   5.782  -3.511
  175    HG3  ARG  21           HG1      ARG  21  -3.132   7.316  -2.710
  176    HD2  ARG  21           HD2      ARG  21  -0.892   8.135  -3.293
  177    HD3  ARG  21           HD1      ARG  21  -0.552   6.611  -4.105
  178    HE   ARG  21           HE       ARG  21  -2.894   7.809  -5.161
  179   HH11  ARG  21          HH11      ARG  21   0.614   8.031  -5.220
  180   HH12  ARG  21          HH12      ARG  21   0.648   8.822  -6.770
  181   HH21  ARG  21          HH21      ARG  21  -2.825   8.839  -7.205
  182   HH22  ARG  21          HH22      ARG  21  -1.293   9.277  -7.892
  183    H    HIS  22           HN       HIS  22  -1.298   3.305  -1.533
  184    HA   HIS  22           HA       HIS  22  -2.971   2.101  -3.389
  185    HB2  HIS  22           HB2      HIS  22  -0.703   1.410  -3.327
  186    HB3  HIS  22           HB1      HIS  22  -0.790   1.007  -1.616
  187    HD1  HIS  22           HD1      HIS  22  -1.686  -0.362  -5.020
  188    HD2  HIS  22           HD2      HIS  22  -1.837  -1.475  -1.003
  189    HE1  HIS  22           HE1      HIS  22  -2.356  -2.819  -4.964
  190    H    LYS  23           HN       LYS  23  -2.609   1.416   0.077
  191    HA   LYS  23           HA       LYS  23  -4.364  -0.755   0.148
  192    HB2  LYS  23           HB2      LYS  23  -3.468   1.145   2.296
  193    HB3  LYS  23           HB1      LYS  23  -4.519  -0.226   2.622
  194    HG2  LYS  23           HG2      LYS  23  -2.787  -1.736   1.740
  195    HG3  LYS  23           HG1      LYS  23  -1.729  -0.344   1.497
  196    HD2  LYS  23           HD2      LYS  23  -1.729   0.118   3.863
  197    HD3  LYS  23           HD1      LYS  23  -2.896  -1.174   4.147
  198    HE2  LYS  23           HE2      LYS  23  -1.275  -2.822   3.368
  199    HE3  LYS  23           HE1      LYS  23  -0.112  -1.535   3.050
  200    HZ1  LYS  23           HZ1      LYS  23  -0.047  -1.030   5.390
  201    HZ2  LYS  23           HZ2      LYS  23   0.294  -2.669   5.165
  202    HZ3  LYS  23           HZ3      LYS  23  -1.228  -2.191   5.721
  203    H    ARG  24           HN       ARG  24  -5.040   2.612  -0.074
  204    HA   ARG  24           HA       ARG  24  -7.625   2.613   1.060
  205    HB2  ARG  24           HB2      ARG  24  -6.453   4.332  -1.131
  206    HB3  ARG  24           HB1      ARG  24  -8.018   4.624  -0.388
  207    HG2  ARG  24           HG2      ARG  24  -6.848   4.809   1.811
  208    HG3  ARG  24           HG1      ARG  24  -5.321   4.729   0.935
  209    HD2  ARG  24           HD2      ARG  24  -5.783   7.031   1.299
  210    HD3  ARG  24           HD1      ARG  24  -6.107   6.710  -0.404
  211    HE   ARG  24           HE       ARG  24  -8.515   6.376   0.895
  212   HH11  ARG  24          HH11      ARG  24  -7.393  10.224   0.594
  213   HH12  ARG  24          HH12      ARG  24  -6.212   8.965   0.447
  214   HH21  ARG  24          HH21      ARG  24  -9.602   9.688   0.958
  215   HH22  ARG  24          HH22      ARG  24 -10.085   8.026   1.079
  216    H    THR  25           HN       THR  25  -6.443   1.182  -1.821
  217    HA   THR  25           HA       THR  25  -8.981   1.087  -3.168
  218    HB   THR  25           HB       THR  25  -7.923  -0.536  -4.683
  219    HG1  THR  25           HG1      THR  25  -5.596  -0.246  -3.048
  220   HG21  THR  25          HG21      THR  25  -6.171   0.938  -5.575
  221   HG22  THR  25          HG22      THR  25  -6.192   1.857  -4.071
  222   HG23  THR  25          HG23      THR  25  -7.615   1.837  -5.113
  223    H    HIS  26           HN       HIS  26  -7.337  -0.779  -0.758
  224    HA   HIS  26           HA       HIS  26  -9.150  -3.028  -1.015
  225    HB2  HIS  26           HB2      HIS  26  -6.996  -2.463   1.037
  226    HB3  HIS  26           HB1      HIS  26  -7.942  -3.941   0.957
  227    HD1  HIS  26           HD1      HIS  26  -7.656  -5.128  -1.661
  228    HD2  HIS  26           HD2      HIS  26  -4.605  -2.769  -0.073
  229    HE1  HIS  26           HE1      HIS  26  -5.515  -5.777  -2.890
  230    H    THR  27           HN       THR  27  -8.330  -0.628   1.493
  231    HA   THR  27           HA       THR  27 -10.707  -1.263   2.995
  232    HB   THR  27           HB       THR  27  -9.962   0.704   4.414
  233    HG1  THR  27           HG1      THR  27  -8.715   1.737   2.759
  234   HG21  THR  27          HG21      THR  27  -9.402  -1.600   5.005
  235   HG22  THR  27          HG22      THR  27  -8.068  -0.515   5.399
  236   HG23  THR  27          HG23      THR  27  -7.983  -1.534   3.962
  237    H    GLY  28           HN       GLY  28 -12.560  -0.686   2.040
  238    HA2  GLY  28           HA2      GLY  28 -14.169   1.094   1.798
  239    HA3  GLY  28           HA1      GLY  28 -12.860   2.145   1.270
  240    H    GLU  29           HN       GLU  29 -11.845  -0.238  -0.318
  241    HA   GLU  29           HA       GLU  29 -11.908  -1.010  -2.448
  242    HB2  GLU  29           HB2      GLU  29 -13.987  -2.075  -1.507
  243    HB3  GLU  29           HB1      GLU  29 -14.909  -0.746  -2.191
  244    HG2  GLU  29           HG2      GLU  29 -14.266  -1.387  -4.421
  245    HG3  GLU  29           HG1      GLU  29 -13.211  -2.649  -3.788
  246    H    LYS  30           HN       LYS  30 -11.664   1.830  -2.028
  247    HA   LYS  30           HA       LYS  30 -12.996   2.869  -4.434
  248    HB2  LYS  30           HB2      LYS  30 -13.537   4.071  -2.346
  249    HB3  LYS  30           HB1      LYS  30 -11.831   4.402  -2.103
  250    HG2  LYS  30           HG2      LYS  30 -11.805   5.708  -4.184
  251    HG3  LYS  30           HG1      LYS  30 -13.535   5.412  -4.365
  252    HD2  LYS  30           HD2      LYS  30 -13.992   6.584  -2.299
  253    HD3  LYS  30           HD1      LYS  30 -12.266   6.793  -2.003
  254    HE2  LYS  30           HE2      LYS  30 -12.108   8.123  -4.077
  255    HE3  LYS  30           HE1      LYS  30 -13.850   7.969  -4.280
  256    HZ1  LYS  30           HZ1      LYS  30 -12.510   9.252  -1.966
  257    HZ2  LYS  30           HZ2      LYS  30 -14.177   9.149  -2.217
  258    HZ3  LYS  30           HZ3      LYS  30 -13.223  10.075  -3.258
  259    HN1  NH2  31           HN1      NH2  31 -10.117   4.014  -2.740
  260    HN2  NH2  31           HN2      NH2  31  -9.050   3.887  -4.094
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1  15.249  -1.450   3.660
    2    H2   ARG   1           HT2      ARG   1  14.177  -0.148   3.779
    3    H3   ARG   1           HT3      ARG   1  14.734  -0.644   2.266
    4    HA   ARG   1           HA       ARG   1  13.600  -2.740   2.477
    5    HB2  ARG   1           HB2      ARG   1  12.562  -1.565   5.069
    6    HB3  ARG   1           HB1      ARG   1  12.007  -3.063   4.340
    7    HG2  ARG   1           HG2      ARG   1  14.214  -4.044   4.641
    8    HG3  ARG   1           HG1      ARG   1  14.796  -2.535   5.348
    9    HD2  ARG   1           HD2      ARG   1  13.111  -2.767   7.145
   10    HD3  ARG   1           HD1      ARG   1  12.609  -4.306   6.449
   11    HE   ARG   1           HE       ARG   1  15.328  -4.508   6.884
   12   HH11  ARG   1          HH11      ARG   1  13.131  -4.713  10.246
   13   HH12  ARG   1          HH12      ARG   1  12.469  -3.966   8.828
   14   HH21  ARG   1          HH21      ARG   1  16.207  -5.508   8.748
   15   HH22  ARG   1          HH22      ARG   1  15.262  -5.591  10.199
   16    HA   PRO   2           HA       PRO   2  10.503  -0.222   0.482
   17    HB2  PRO   2           HB2      PRO   2   9.252  -2.156  -0.893
   18    HB3  PRO   2           HB1      PRO   2  10.884  -1.619  -1.331
   19    HG2  PRO   2           HG2      PRO   2  10.040  -4.030   0.235
   20    HG3  PRO   2           HG1      PRO   2  11.264  -3.901  -1.041
   21    HD2  PRO   2           HD2      PRO   2  11.857  -3.909   1.633
   22    HD3  PRO   2           HD1      PRO   2  12.865  -3.112   0.409
   23    H    PHE   3           HN       PHE   3   8.198  -0.036   0.414
   24    HA   PHE   3           HA       PHE   3   6.876  -1.194   2.750
   25    HB2  PHE   3           HB2      PHE   3   6.092   1.105   0.940
   26    HB3  PHE   3           HB1      PHE   3   5.163   0.559   2.326
   27    HD1  PHE   3           HD1      PHE   3   8.093   2.401   1.215
   28    HD2  PHE   3           HD2      PHE   3   5.966   0.915   4.586
   29    HE1  PHE   3           HE1      PHE   3   9.386   3.894   2.682
   30    HE2  PHE   3           HE2      PHE   3   7.253   2.403   6.062
   31    HZ   PHE   3           HZ       PHE   3   8.967   3.897   5.111
   32    H    NLE   4           HN       NLE   4   6.317  -3.213   2.053
   33    HA   NLE   4           HA       NLE   4   4.966  -3.497  -0.521
   34    HB2  NLE   4           HB1      NLE   4   5.932  -5.600   1.425
   35    HB3  NLE   4           HB2      NLE   4   6.827  -5.033   0.026
   36    HG2  NLE   4           HG1      NLE   4   5.082  -5.910  -1.447
   37    HG3  NLE   4           HG2      NLE   4   4.183  -6.476  -0.035
   38    HD2  NLE   4           HD1      NLE   4   6.063  -7.936   0.572
   39    HD3  NLE   4           HD2      NLE   4   6.939  -7.386  -0.865
   40    HE1  NLE   4           HE1      NLE   4   5.152  -8.258  -2.288
   41    HE2  NLE   4           HE2      NLE   4   4.286  -8.815  -0.855
   42    HE3  NLE   4           HE3      NLE   4   5.843  -9.526  -1.275
   43    H    CYS   5           HN       CYS   5   2.863  -3.918  -0.732
   44    HA   CYS   5           HA       CYS   5   1.070  -3.820   1.452
   45    HB2  CYS   5           HB2      CYS   5   0.378  -3.179  -0.799
   46    HB3  CYS   5           HB1      CYS   5   0.670  -4.812  -1.377
   47    H    THR   6           HN       THR   6   0.138  -5.431   2.650
   48    HA   THR   6           HA       THR   6   1.027  -8.176   2.066
   49    HB   THR   6           HB       THR   6   0.872  -8.525   4.589
   50    HG1  THR   6           HG1      THR   6   1.195  -5.699   4.682
   51   HG21  THR   6          HG21      THR   6   3.014  -8.410   3.421
   52   HG22  THR   6          HG22      THR   6   3.120  -7.612   4.991
   53   HG23  THR   6          HG23      THR   6   2.986  -6.649   3.519
   54    H    TRP   7           HN       TRP   7  -1.388  -7.031   1.109
   55    HA   TRP   7           HA       TRP   7  -3.509  -7.940   2.865
   56    HB2  TRP   7           HB2      TRP   7  -3.572  -5.860   1.333
   57    HB3  TRP   7           HB1      TRP   7  -3.866  -7.003   0.030
   58    HD1  TRP   7           HD1      TRP   7  -6.188  -8.446   0.200
   59    HE1  TRP   7           HE1      TRP   7  -8.449  -7.823   1.269
   60    HE3  TRP   7           HE3      TRP   7  -4.628  -4.602   3.165
   61    HZ2  TRP   7           HZ2      TRP   7  -9.433  -5.932   3.129
   62    HZ3  TRP   7           HZ3      TRP   7  -6.285  -3.430   4.555
   63    HH2  TRP   7           HH2      TRP   7  -8.636  -4.081   4.537
   64    H    ORN   8           HT1      ORN   8  -1.894 -14.019  -1.078
   65    HA   ORN   8           HA       ORN   8  -2.970 -11.855  -1.144
   66    HB2  ORN   8           HB1      ORN   8  -1.208 -10.671   0.336
   67    HB3  ORN   8           HB2      ORN   8  -0.253 -12.130   0.117
   68    HG2  ORN   8           HG1      ORN   8  -1.405 -12.345   2.170
   69    HG3  ORN   8           HG2      ORN   8  -2.192 -13.427   1.021
   70    HD2  ORN   8           HD1      ORN   8  -3.873 -12.257   2.306
   71    HD3  ORN   8           HD2      ORN   8  -3.926 -11.716   0.632
   72    HE1  ORN   8           HE       ORN   8  -2.904 -10.169   2.908
   73    HT3  ORN   8           HT3      ORN   8  -2.075 -13.451  -2.659
   74    H    CYS   9           HN       CYS   9  -2.937  -9.694  -1.688
   75    HA   CYS   9           HA       CYS   9  -1.474  -8.869  -3.966
   76    HB2  CYS   9           HB2      CYS   9  -3.605  -7.853  -3.479
   77    HB3  CYS   9           HB1      CYS   9  -3.051  -7.346  -1.889
   78    H    GLY  10           HN       GLY  10   0.564  -8.059  -4.091
   79    HA2  GLY  10           HA2      GLY  10   1.799  -7.023  -1.647
   80    HA3  GLY  10           HA1      GLY  10   2.543  -8.398  -2.441
   81    H    LYS  11           HN       LYS  11   1.234  -5.243  -3.462
   82    HA   LYS  11           HA       LYS  11   3.394  -4.840  -5.312
   83    HB2  LYS  11           HB2      LYS  11   1.266  -2.958  -4.274
   84    HB3  LYS  11           HB1      LYS  11   2.416  -2.553  -5.541
   85    HG2  LYS  11           HG2      LYS  11   1.503  -4.288  -6.963
   86    HG3  LYS  11           HG1      LYS  11   0.390  -4.776  -5.683
   87    HD2  LYS  11           HD2      LYS  11  -0.653  -2.565  -5.752
   88    HD3  LYS  11           HD1      LYS  11   0.454  -2.080  -7.036
   89    HE2  LYS  11           HE2      LYS  11  -1.493  -4.374  -7.225
   90    HE3  LYS  11           HE1      LYS  11  -1.795  -2.755  -7.851
   91    HZ1  LYS  11           HZ1      LYS  11   0.422  -4.533  -8.707
   92    HZ2  LYS  11           HZ2      LYS  11   0.086  -3.001  -9.328
   93    HZ3  LYS  11           HZ3      LYS  11  -1.005  -4.269  -9.569
   94    H    ARG  12           HN       ARG  12   5.235  -3.656  -5.012
   95    HA   ARG  12           HA       ARG  12   5.807  -2.869  -2.249
   96    HB2  ARG  12           HB2      ARG  12   7.648  -3.412  -4.586
   97    HB3  ARG  12           HB1      ARG  12   8.191  -2.887  -2.998
   98    HG2  ARG  12           HG2      ARG  12   7.347  -4.914  -1.997
   99    HG3  ARG  12           HG1      ARG  12   6.669  -5.428  -3.541
  100    HD2  ARG  12           HD2      ARG  12   8.878  -5.597  -4.498
  101    HD3  ARG  12           HD1      ARG  12   9.603  -4.953  -3.026
  102    HE   ARG  12           HE       ARG  12   8.760  -7.003  -1.907
  103   HH11  ARG  12          HH11      ARG  12   9.232  -7.012  -5.384
  104   HH12  ARG  12          HH12      ARG  12   9.512  -8.720  -5.464
  105   HH21  ARG  12          HH21      ARG  12   9.443  -9.992  -3.560
  106   HH22  ARG  12          HH22      ARG  12   9.116  -9.254  -2.025
  107    H    PHE  13           HN       PHE  13   6.179  -0.838  -1.668
  108    HA   PHE  13           HA       PHE  13   6.370   1.213  -3.777
  109    HB2  PHE  13           HB2      PHE  13   4.972   1.463  -1.103
  110    HB3  PHE  13           HB1      PHE  13   5.039   2.690  -2.366
  111    HD1  PHE  13           HD1      PHE  13   3.798   2.399  -4.443
  112    HD2  PHE  13           HD2      PHE  13   3.465  -0.373  -1.239
  113    HE1  PHE  13           HE1      PHE  13   1.737   1.507  -5.438
  114    HE2  PHE  13           HE2      PHE  13   1.398  -1.272  -2.223
  115    HZ   PHE  13           HZ       PHE  13   0.577  -0.399  -4.350
  116    H    THR  14           HN       THR  14   7.620   3.083  -3.229
  117    HA   THR  14           HA       THR  14   9.736   2.480  -1.318
  118    HB   THR  14           HB       THR  14   9.651   4.887  -3.129
  119    HG1  THR  14           HG1      THR  14  10.962   3.225  -4.488
  120   HG21  THR  14          HG21      THR  14  11.457   4.752  -1.461
  121   HG22  THR  14          HG22      THR  14  12.085   4.613  -3.104
  122   HG23  THR  14          HG23      THR  14  11.922   3.175  -2.098
  123    H    ARG  15           HN       ARG  15   6.816   3.907  -1.142
  124    HA   ARG  15           HA       ARG  15   7.652   5.720   1.007
  125    HB2  ARG  15           HB2      ARG  15   5.663   6.416  -1.167
  126    HB3  ARG  15           HB1      ARG  15   5.997   7.401   0.247
  127    HG2  ARG  15           HG2      ARG  15   8.338   7.636  -0.530
  128    HG3  ARG  15           HG1      ARG  15   7.899   6.751  -1.991
  129    HD2  ARG  15           HD2      ARG  15   6.242   8.470  -2.531
  130    HD3  ARG  15           HD1      ARG  15   6.682   9.353  -1.070
  131    HE   ARG  15           HE       ARG  15   8.831   8.825  -2.948
  132   HH11  ARG  15          HH11      ARG  15   6.421  11.072  -1.784
  133   HH12  ARG  15          HH12      ARG  15   7.213  12.464  -2.444
  134   HH21  ARG  15          HH21      ARG  15   9.873  10.652  -3.842
  135   HH22  ARG  15          HH22      ARG  15   9.176  12.225  -3.619
  136    H    SER  16           HN       SER  16   6.363   5.662   2.775
  137    HA   SER  16           HA       SER  16   4.497   3.549   3.053
  138    HB2  SER  16           HB2      SER  16   4.051   4.724   5.294
  139    HB3  SER  16           HB1      SER  16   5.696   4.162   4.998
  140    HG   SER  16           HG       SER  16   4.718   6.718   5.266
  141    H    ASP  17           HN       ASP  17   4.201   7.001   2.500
  142    HA   ASP  17           HA       ASP  17   1.412   7.223   2.819
  143    HB2  ASP  17           HB2      ASP  17   3.407   8.824   1.228
  144    HB3  ASP  17           HB1      ASP  17   1.695   9.203   1.204
  145    H    GLU  18           HN       GLU  18   3.408   6.174   0.152
  146    HA   GLU  18           HA       GLU  18   1.282   6.101  -1.756
  147    HB2  GLU  18           HB2      GLU  18   4.071   4.968  -1.721
  148    HB3  GLU  18           HB1      GLU  18   2.960   4.679  -3.053
  149    HG2  GLU  18           HG2      GLU  18   3.679   7.436  -2.109
  150    HG3  GLU  18           HG1      GLU  18   4.609   6.565  -3.332
  151    H    LEU  19           HN       LEU  19   2.788   3.796   0.448
  152    HA   LEU  19           HA       LEU  19   1.354   1.524  -0.426
  153    HB2  LEU  19           HB2      LEU  19   3.272   1.239   0.984
  154    HB3  LEU  19           HB1      LEU  19   2.555   2.221   2.247
  155    HG   LEU  19           HG       LEU  19   0.834   0.496   2.615
  156   HD11  LEU  19          HD11      LEU  19   2.394  -1.096   0.585
  157   HD12  LEU  19          HD12      LEU  19   0.780  -0.424   0.351
  158   HD13  LEU  19          HD13      LEU  19   1.044  -1.683   1.556
  159   HD21  LEU  19          HD21      LEU  19   2.240  -1.098   3.720
  160   HD22  LEU  19          HD22      LEU  19   2.991   0.491   3.863
  161   HD23  LEU  19          HD23      LEU  19   3.608  -0.677   2.695
  162    H    GLN  20           HN       GLN  20   0.709   3.880   2.153
  163    HA   GLN  20           HA       GLN  20  -1.752   2.864   3.009
  164    HB2  GLN  20           HB2      GLN  20  -0.527   4.613   4.211
  165    HB3  GLN  20           HB1      GLN  20  -0.807   5.736   2.891
  166    HG2  GLN  20           HG2      GLN  20  -3.224   5.606   3.320
  167    HG3  GLN  20           HG1      GLN  20  -2.906   4.529   4.679
  168   HE21  GLN  20          HE21      GLN  20  -3.802   5.934   6.160
  169   HE22  GLN  20          HE22      GLN  20  -3.018   7.398   6.643
  170    H    ARG  21           HN       ARG  21  -0.991   5.300   0.578
  171    HA   ARG  21           HA       ARG  21  -3.493   5.900  -0.403
  172    HB2  ARG  21           HB2      ARG  21  -1.366   6.975  -1.072
  173    HB3  ARG  21           HB1      ARG  21  -0.945   5.537  -1.982
  174    HG2  ARG  21           HG2      ARG  21  -2.851   5.903  -3.457
  175    HG3  ARG  21           HG1      ARG  21  -3.273   7.358  -2.545
  176    HD2  ARG  21           HD2      ARG  21  -1.044   8.284  -3.063
  177    HD3  ARG  21           HD1      ARG  21  -0.707   6.861  -4.041
  178    HE   ARG  21           HE       ARG  21  -3.083   8.046  -4.946
  179   HH11  ARG  21          HH11      ARG  21   0.372   8.592  -4.844
  180   HH12  ARG  21          HH12      ARG  21   0.382   9.592  -6.266
  181   HH21  ARG  21          HH21      ARG  21  -3.077   9.365  -6.823
  182   HH22  ARG  21          HH22      ARG  21  -1.580  10.031  -7.392
  183    H    HIS  22           HN       HIS  22  -1.304   3.300  -1.455
  184    HA   HIS  22           HA       HIS  22  -3.018   2.156  -3.339
  185    HB2  HIS  22           HB2      HIS  22  -0.783   1.441  -3.451
  186    HB3  HIS  22           HB1      HIS  22  -0.722   1.065  -1.730
  187    HD1  HIS  22           HD1      HIS  22  -2.106  -0.331  -4.998
  188    HD2  HIS  22           HD2      HIS  22  -1.517  -1.443  -1.017
  189    HE1  HIS  22           HE1      HIS  22  -2.792  -2.777  -4.809
  190    H    LYS  23           HN       LYS  23  -2.640   1.500   0.127
  191    HA   LYS  23           HA       LYS  23  -4.362  -0.705   0.223
  192    HB2  LYS  23           HB2      LYS  23  -3.569   1.280   2.334
  193    HB3  LYS  23           HB1      LYS  23  -4.612  -0.094   2.672
  194    HG2  LYS  23           HG2      LYS  23  -2.786  -1.575   1.803
  195    HG3  LYS  23           HG1      LYS  23  -1.751  -0.147   1.741
  196    HD2  LYS  23           HD2      LYS  23  -2.048   0.188   4.130
  197    HD3  LYS  23           HD1      LYS  23  -3.134  -1.201   4.203
  198    HE2  LYS  23           HE2      LYS  23  -1.303  -2.654   3.451
  199    HE3  LYS  23           HE1      LYS  23  -0.222  -1.263   3.426
  200    HZ1  LYS  23           HZ1      LYS  23  -0.636  -1.001   5.823
  201    HZ2  LYS  23           HZ2      LYS  23   0.089  -2.479   5.449
  202    HZ3  LYS  23           HZ3      LYS  23  -1.559  -2.417   5.811
  203    H    ARG  24           HN       ARG  24  -5.021   2.660  -0.067
  204    HA   ARG  24           HA       ARG  24  -7.692   2.613   0.884
  205    HB2  ARG  24           HB2      ARG  24  -6.389   4.444  -1.129
  206    HB3  ARG  24           HB1      ARG  24  -7.979   4.701  -0.427
  207    HG2  ARG  24           HG2      ARG  24  -6.889   4.757   1.818
  208    HG3  ARG  24           HG1      ARG  24  -5.330   4.718   0.992
  209    HD2  ARG  24           HD2      ARG  24  -5.858   7.003   1.493
  210    HD3  ARG  24           HD1      ARG  24  -6.010   6.766  -0.249
  211    HE   ARG  24           HE       ARG  24  -8.483   6.409   1.154
  212   HH11  ARG  24          HH11      ARG  24  -7.602   9.941  -0.545
  213   HH12  ARG  24          HH12      ARG  24  -6.357   8.750  -0.340
  214   HH21  ARG  24          HH21      ARG  24  -9.747   9.494   0.153
  215   HH22  ARG  24          HH22      ARG  24 -10.126   7.974   0.894
  216    H    THR  25           HN       THR  25  -6.352   1.047  -1.762
  217    HA   THR  25           HA       THR  25  -8.784   1.096  -3.341
  218    HB   THR  25           HB       THR  25  -7.687  -0.509  -4.815
  219    HG1  THR  25           HG1      THR  25  -5.371  -0.408  -3.175
  220   HG21  THR  25          HG21      THR  25  -5.762   0.836  -5.525
  221   HG22  THR  25          HG22      THR  25  -5.815   1.712  -3.995
  222   HG23  THR  25          HG23      THR  25  -7.151   1.852  -5.136
  223    H    HIS  26           HN       HIS  26  -7.244  -0.847  -0.904
  224    HA   HIS  26           HA       HIS  26  -9.091  -3.050  -1.181
  225    HB2  HIS  26           HB2      HIS  26  -7.085  -2.411   0.999
  226    HB3  HIS  26           HB1      HIS  26  -8.032  -3.890   0.911
  227    HD1  HIS  26           HD1      HIS  26  -7.529  -5.321  -1.469
  228    HD2  HIS  26           HD2      HIS  26  -4.659  -2.633  -0.090
  229    HE1  HIS  26           HE1      HIS  26  -5.331  -5.962  -2.589
  230    H    THR  27           HN       THR  27  -8.487  -0.424   1.111
  231    HA   THR  27           HA       THR  27 -11.200  -0.788   2.181
  232    HB   THR  27           HB       THR  27  -9.033   0.950   3.370
  233    HG1  THR  27           HG1      THR  27  -9.522  -1.835   3.646
  234   HG21  THR  27          HG21      THR  27 -10.334   0.659   5.426
  235   HG22  THR  27          HG22      THR  27 -11.490  -0.351   4.558
  236   HG23  THR  27          HG23      THR  27 -11.327   1.357   4.146
  237    H    GLY  28           HN       GLY  28 -11.745   0.168   0.002
  238    HA2  GLY  28           HA2      GLY  28 -11.226   3.003  -0.304
  239    HA3  GLY  28           HA1      GLY  28 -12.091   1.972  -1.434
  240    H    GLU  29           HN       GLU  29 -12.962   4.518  -0.736
  241    HA   GLU  29           HA       GLU  29 -15.104   4.202   1.197
  242    HB2  GLU  29           HB2      GLU  29 -13.766   6.324   0.997
  243    HB3  GLU  29           HB1      GLU  29 -14.479   6.562  -0.592
  244    HG2  GLU  29           HG2      GLU  29 -16.712   6.612   0.456
  245    HG3  GLU  29           HG1      GLU  29 -15.939   6.499   2.037
  246    H    LYS  30           HN       LYS  30 -16.184   2.499   0.014
  247    HA   LYS  30           HA       LYS  30 -17.874   3.564  -2.137
  248    HB2  LYS  30           HB2      LYS  30 -16.049   2.122  -3.066
  249    HB3  LYS  30           HB1      LYS  30 -16.678   0.785  -2.113
  250    HG2  LYS  30           HG2      LYS  30 -18.776   0.874  -3.331
  251    HG3  LYS  30           HG1      LYS  30 -18.194   2.262  -4.252
  252    HD2  LYS  30           HD2      LYS  30 -16.369   0.867  -5.148
  253    HD3  LYS  30           HD1      LYS  30 -17.022  -0.517  -4.271
  254    HE2  LYS  30           HE2      LYS  30 -17.716  -0.559  -6.603
  255    HE3  LYS  30           HE1      LYS  30 -19.102  -0.342  -5.536
  256    HZ1  LYS  30           HZ1      LYS  30 -19.198   1.120  -7.461
  257    HZ2  LYS  30           HZ2      LYS  30 -17.728   1.831  -7.022
  258    HZ3  LYS  30           HZ3      LYS  30 -19.083   2.012  -6.031
  259    HN1  NH2  31           HN1      NH2  31 -19.650   3.785  -0.912
  260    HN2  NH2  31           HN2      NH2  31 -20.451   2.496  -0.087
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1  14.498  -1.647   3.209
    2    H2   ARG   1           HT2      ARG   1  14.789  -2.737   4.467
    3    H3   ARG   1           HT3      ARG   1  13.773  -1.408   4.716
    4    HA   ARG   1           HA       ARG   1  13.241  -3.641   2.852
    5    HB2  ARG   1           HB2      ARG   1  12.076  -2.976   5.564
    6    HB3  ARG   1           HB1      ARG   1  11.385  -4.158   4.463
    7    HG2  ARG   1           HG2      ARG   1  14.163  -4.308   5.610
    8    HG3  ARG   1           HG1      ARG   1  12.756  -5.158   6.253
    9    HD2  ARG   1           HD2      ARG   1  13.821  -5.471   3.445
   10    HD3  ARG   1           HD1      ARG   1  14.189  -6.561   4.780
   11    HE   ARG   1           HE       ARG   1  11.489  -6.558   4.734
   12   HH11  ARG   1          HH11      ARG   1  12.913  -8.149   1.336
   13   HH12  ARG   1          HH12      ARG   1  13.867  -6.995   2.208
   14   HH21  ARG   1          HH21      ARG   1  10.217  -8.071   3.571
   15   HH22  ARG   1          HH22      ARG   1  10.840  -8.753   2.100
   16    HA   PRO   2           HA       PRO   2  10.596  -0.574   1.039
   17    HB2  PRO   2           HB2      PRO   2   9.310  -2.143  -0.730
   18    HB3  PRO   2           HB1      PRO   2  11.013  -1.705  -0.932
   19    HG2  PRO   2           HG2      PRO   2   9.821  -4.236   0.130
   20    HG3  PRO   2           HG1      PRO   2  11.180  -4.024  -0.988
   21    HD2  PRO   2           HD2      PRO   2  11.489  -4.521   1.682
   22    HD3  PRO   2           HD1      PRO   2  12.675  -3.624   0.710
   23    H    PHE   3           HN       PHE   3   8.300  -0.173   0.675
   24    HA   PHE   3           HA       PHE   3   6.687  -1.256   2.842
   25    HB2  PHE   3           HB2      PHE   3   6.149   0.975   0.866
   26    HB3  PHE   3           HB1      PHE   3   5.087   0.531   2.190
   27    HD1  PHE   3           HD1      PHE   3   8.203   2.171   1.255
   28    HD2  PHE   3           HD2      PHE   3   5.672   1.035   4.478
   29    HE1  PHE   3           HE1      PHE   3   9.414   3.711   2.740
   30    HE2  PHE   3           HE2      PHE   3   6.879   2.571   5.971
   31    HZ   PHE   3           HZ       PHE   3   8.753   3.912   5.105
   32    H    NLE   4           HN       NLE   4   6.319  -3.347   2.037
   33    HA   NLE   4           HA       NLE   4   5.092  -3.586  -0.598
   34    HB2  NLE   4           HB1      NLE   4   6.008  -5.759   1.286
   35    HB3  NLE   4           HB2      NLE   4   6.998  -5.067   0.012
   36    HG2  NLE   4           HG1      NLE   4   5.471  -5.905  -1.673
   37    HG3  NLE   4           HG2      NLE   4   4.394  -6.521  -0.421
   38    HD2  NLE   4           HD1      NLE   4   7.245  -7.431  -0.813
   39    HD3  NLE   4           HD2      NLE   4   5.822  -8.283  -1.428
   40    HE1  NLE   4           HE1      NLE   4   4.979  -8.488   0.871
   41    HE2  NLE   4           HE2      NLE   4   6.442  -7.700   1.464
   42    HE3  NLE   4           HE3      NLE   4   6.545  -9.268   0.666
   43    H    CYS   5           HN       CYS   5   3.025  -4.032  -0.930
   44    HA   CYS   5           HA       CYS   5   1.171  -4.195   1.218
   45    HB2  CYS   5           HB2      CYS   5   0.526  -3.240  -0.944
   46    HB3  CYS   5           HB1      CYS   5   0.827  -4.782  -1.733
   47    H    THR   6           HN       THR   6   0.092  -5.967   2.030
   48    HA   THR   6           HA       THR   6   0.954  -8.608   1.082
   49    HB   THR   6           HB       THR   6   0.876  -9.304   3.549
   50    HG1  THR   6           HG1      THR   6   0.193  -7.684   4.755
   51   HG21  THR   6          HG21      THR   6   3.057  -7.447   2.595
   52   HG22  THR   6          HG22      THR   6   2.958  -9.183   2.299
   53   HG23  THR   6          HG23      THR   6   3.199  -8.581   3.938
   54    H    TRP   7           HN       TRP   7  -1.358  -7.637   0.180
   55    HA   TRP   7           HA       TRP   7  -3.506  -8.428   1.991
   56    HB2  TRP   7           HB2      TRP   7  -3.545  -6.279   0.617
   57    HB3  TRP   7           HB1      TRP   7  -3.794  -7.303  -0.789
   58    HD1  TRP   7           HD1      TRP   7  -6.173  -8.479  -1.046
   59    HE1  TRP   7           HE1      TRP   7  -8.455  -7.997   0.041
   60    HE3  TRP   7           HE3      TRP   7  -4.615  -5.502   2.791
   61    HZ2  TRP   7           HZ2      TRP   7  -9.459  -6.543   2.236
   62    HZ3  TRP   7           HZ3      TRP   7  -6.298  -4.602   4.343
   63    HH2  TRP   7           HH2      TRP   7  -8.671  -5.111   4.067
   64    H    ORN   8           HT1      ORN   8  -2.204 -14.042  -2.462
   65    HA   ORN   8           HA       ORN   8  -3.016 -11.808  -2.148
   66    HB2  ORN   8           HB1      ORN   8  -1.161 -11.057  -0.518
   67    HB3  ORN   8           HB2      ORN   8  -0.332 -12.530  -0.995
   68    HG2  ORN   8           HG1      ORN   8  -1.508 -12.943   1.039
   69    HG3  ORN   8           HG2      ORN   8  -2.315 -13.824  -0.260
   70    HD2  ORN   8           HD1      ORN   8  -3.922 -12.717   1.236
   71    HD3  ORN   8           HD2      ORN   8  -4.021 -12.099  -0.409
   72    HE1  ORN   8           HE       ORN   8  -2.844 -10.678   1.883
   73    HT3  ORN   8           HT3      ORN   8  -2.238 -13.205  -3.929
   74    H    CYS   9           HN       CYS   9  -2.894  -9.660  -2.541
   75    HA   CYS   9           HA       CYS   9  -1.301  -8.694  -4.668
   76    HB2  CYS   9           HB2      CYS   9  -3.427  -7.668  -4.229
   77    HB3  CYS   9           HB1      CYS   9  -2.970  -7.307  -2.572
   78    H    GLY  10           HN       GLY  10   0.819  -8.249  -4.586
   79    HA2  GLY  10           HA2      GLY  10   1.945  -7.370  -2.004
   80    HA3  GLY  10           HA1      GLY  10   2.743  -8.559  -3.015
   81    H    LYS  11           HN       LYS  11   1.181  -5.509  -3.876
   82    HA   LYS  11           HA       LYS  11   3.353  -4.700  -5.529
   83    HB2  LYS  11           HB2      LYS  11   0.961  -4.048  -5.869
   84    HB3  LYS  11           HB1      LYS  11   1.077  -3.032  -4.441
   85    HG2  LYS  11           HG2      LYS  11   2.633  -1.584  -5.496
   86    HG3  LYS  11           HG1      LYS  11   2.821  -2.684  -6.864
   87    HD2  LYS  11           HD2      LYS  11   0.512  -2.313  -7.507
   88    HD3  LYS  11           HD1      LYS  11   0.264  -1.274  -6.107
   89    HE2  LYS  11           HE2      LYS  11   1.941   0.288  -6.986
   90    HE3  LYS  11           HE1      LYS  11   2.160  -0.752  -8.394
   91    HZ1  LYS  11           HZ1      LYS  11  -0.101  -0.349  -9.046
   92    HZ2  LYS  11           HZ2      LYS  11   0.657   1.142  -8.798
   93    HZ3  LYS  11           HZ3      LYS  11  -0.408   0.534  -7.635
   94    H    ARG  12           HN       ARG  12   5.131  -3.526  -5.005
   95    HA   ARG  12           HA       ARG  12   5.365  -2.766  -2.180
   96    HB2  ARG  12           HB2      ARG  12   7.767  -3.040  -2.399
   97    HB3  ARG  12           HB1      ARG  12   6.942  -4.498  -2.929
   98    HG2  ARG  12           HG2      ARG  12   7.292  -3.918  -5.235
   99    HG3  ARG  12           HG1      ARG  12   7.990  -2.366  -4.772
  100    HD2  ARG  12           HD2      ARG  12   9.804  -3.569  -3.603
  101    HD3  ARG  12           HD1      ARG  12   9.116  -5.096  -4.158
  102    HE   ARG  12           HE       ARG  12   9.623  -3.316  -6.320
  103   HH11  ARG  12          HH11      ARG  12  11.178  -5.550  -4.123
  104   HH12  ARG  12          HH12      ARG  12  12.471  -5.920  -5.220
  105   HH21  ARG  12          HH21      ARG  12  12.555  -4.923  -7.285
  106   HH22  ARG  12          HH22      ARG  12  11.321  -3.794  -7.758
  107    H    PHE  13           HN       PHE  13   6.325  -0.855  -1.549
  108    HA   PHE  13           HA       PHE  13   6.513   1.223  -3.621
  109    HB2  PHE  13           HB2      PHE  13   5.122   1.518  -0.953
  110    HB3  PHE  13           HB1      PHE  13   5.248   2.741  -2.214
  111    HD1  PHE  13           HD1      PHE  13   3.999   2.493  -4.302
  112    HD2  PHE  13           HD2      PHE  13   3.540  -0.236  -1.077
  113    HE1  PHE  13           HE1      PHE  13   1.918   1.666  -5.303
  114    HE2  PHE  13           HE2      PHE  13   1.454  -1.069  -2.072
  115    HZ   PHE  13           HZ       PHE  13   0.642  -0.116  -4.183
  116    H    THR  14           HN       THR  14   7.759   3.081  -3.001
  117    HA   THR  14           HA       THR  14   9.826   2.451  -1.033
  118    HB   THR  14           HB       THR  14  10.866   4.588  -2.099
  119    HG1  THR  14           HG1      THR  14   9.296   3.836  -4.320
  120   HG21  THR  14          HG21      THR  14  11.775   2.343  -2.423
  121   HG22  THR  14          HG22      THR  14  11.822   3.252  -3.934
  122   HG23  THR  14          HG23      THR  14  10.578   2.028  -3.678
  123    H    ARG  15           HN       ARG  15   6.938   4.004  -1.048
  124    HA   ARG  15           HA       ARG  15   7.770   5.741   1.167
  125    HB2  ARG  15           HB2      ARG  15   5.758   6.578  -0.930
  126    HB3  ARG  15           HB1      ARG  15   6.297   7.531   0.439
  127    HG2  ARG  15           HG2      ARG  15   8.620   7.392  -0.606
  128    HG3  ARG  15           HG1      ARG  15   7.791   6.824  -2.057
  129    HD2  ARG  15           HD2      ARG  15   7.403   9.457  -0.639
  130    HD3  ARG  15           HD1      ARG  15   8.094   9.196  -2.235
  131    HE   ARG  15           HE       ARG  15   5.637   8.185  -2.545
  132   HH11  ARG  15          HH11      ARG  15   6.772  11.218  -1.209
  133   HH12  ARG  15          HH12      ARG  15   5.323  12.085  -1.619
  134   HH21  ARG  15          HH21      ARG  15   3.710   9.326  -3.078
  135   HH22  ARG  15          HH22      ARG  15   3.598  11.016  -2.673
  136    H    SER  16           HN       SER  16   6.433   5.737   2.884
  137    HA   SER  16           HA       SER  16   4.449   3.760   3.180
  138    HB2  SER  16           HB2      SER  16   5.651   4.666   5.111
  139    HB3  SER  16           HB1      SER  16   4.955   6.260   4.826
  140    HG   SER  16           HG       SER  16   3.421   3.931   5.361
  141    H    ASP  17           HN       ASP  17   4.336   7.139   2.263
  142    HA   ASP  17           HA       ASP  17   1.593   7.610   2.397
  143    HB2  ASP  17           HB2      ASP  17   3.541   8.652   0.327
  144    HB3  ASP  17           HB1      ASP  17   1.975   9.347   0.708
  145    H    GLU  18           HN       GLU  18   3.549   6.174  -0.153
  146    HA   GLU  18           HA       GLU  18   1.492   5.913  -2.058
  147    HB2  GLU  18           HB2      GLU  18   4.079   4.409  -1.702
  148    HB3  GLU  18           HB1      GLU  18   3.019   4.210  -3.090
  149    HG2  GLU  18           HG2      GLU  18   4.375   6.761  -2.261
  150    HG3  GLU  18           HG1      GLU  18   4.877   5.695  -3.574
  151    H    LEU  19           HN       LEU  19   2.801   3.704   0.387
  152    HA   LEU  19           HA       LEU  19   1.171   1.510  -0.303
  153    HB2  LEU  19           HB2      LEU  19   3.169   1.243   1.063
  154    HB3  LEU  19           HB1      LEU  19   2.449   2.205   2.339
  155    HG   LEU  19           HG       LEU  19   0.729   0.484   2.686
  156   HD11  LEU  19          HD11      LEU  19   2.250  -1.064   0.590
  157   HD12  LEU  19          HD12      LEU  19   0.611  -0.429   0.439
  158   HD13  LEU  19          HD13      LEU  19   0.959  -1.706   1.604
  159   HD21  LEU  19          HD21      LEU  19   3.501  -0.695   2.735
  160   HD22  LEU  19          HD22      LEU  19   2.133  -1.140   3.756
  161   HD23  LEU  19          HD23      LEU  19   2.882   0.448   3.924
  162    H    GLN  20           HN       GLN  20   0.698   4.183   1.975
  163    HA   GLN  20           HA       GLN  20  -1.721   3.285   3.086
  164    HB2  GLN  20           HB2      GLN  20  -0.512   5.122   4.097
  165    HB3  GLN  20           HB1      GLN  20  -0.705   6.100   2.650
  166    HG2  GLN  20           HG2      GLN  20  -3.146   6.093   3.012
  167    HG3  GLN  20           HG1      GLN  20  -2.897   5.191   4.505
  168   HE21  GLN  20          HE21      GLN  20  -0.739   7.714   3.421
  169   HE22  GLN  20          HE22      GLN  20  -1.145   8.856   4.653
  170    H    ARG  21           HN       ARG  21  -1.093   5.433   0.339
  171    HA   ARG  21           HA       ARG  21  -3.759   5.896  -0.404
  172    HB2  ARG  21           HB2      ARG  21  -1.280   5.781  -2.127
  173    HB3  ARG  21           HB1      ARG  21  -2.833   6.410  -2.656
  174    HG2  ARG  21           HG2      ARG  21  -2.709   8.219  -1.108
  175    HG3  ARG  21           HG1      ARG  21  -1.283   7.528  -0.330
  176    HD2  ARG  21           HD2      ARG  21  -0.043   7.788  -2.447
  177    HD3  ARG  21           HD1      ARG  21  -1.462   8.548  -3.162
  178    HE   ARG  21           HE       ARG  21  -0.831   9.951  -0.836
  179   HH11  ARG  21          HH11      ARG  21   0.584   9.291  -3.971
  180   HH12  ARG  21          HH12      ARG  21   1.448  10.795  -4.042
  181   HH21  ARG  21          HH21      ARG  21   0.315  11.926  -0.913
  182   HH22  ARG  21          HH22      ARG  21   1.301  12.296  -2.296
  183    H    HIS  22           HN       HIS  22  -1.462   3.409  -1.408
  184    HA   HIS  22           HA       HIS  22  -3.123   2.085  -3.225
  185    HB2  HIS  22           HB2      HIS  22  -0.775   1.634  -3.241
  186    HB3  HIS  22           HB1      HIS  22  -0.799   1.128  -1.554
  187    HD1  HIS  22           HD1      HIS  22  -1.496  -0.139  -5.027
  188    HD2  HIS  22           HD2      HIS  22  -1.802  -1.412  -1.065
  189    HE1  HIS  22           HE1      HIS  22  -2.042  -2.627  -5.098
  190    H    LYS  23           HN       LYS  23  -2.636   1.601   0.257
  191    HA   LYS  23           HA       LYS  23  -4.206  -0.648   0.646
  192    HB2  LYS  23           HB2      LYS  23  -3.540   1.706   2.366
  193    HB3  LYS  23           HB1      LYS  23  -4.703   0.521   2.936
  194    HG2  LYS  23           HG2      LYS  23  -2.024  -0.366   1.965
  195    HG3  LYS  23           HG1      LYS  23  -2.204   0.304   3.585
  196    HD2  LYS  23           HD2      LYS  23  -3.700  -2.076   2.476
  197    HD3  LYS  23           HD1      LYS  23  -2.353  -2.138   3.610
  198    HE2  LYS  23           HE2      LYS  23  -3.757  -0.724   5.162
  199    HE3  LYS  23           HE1      LYS  23  -5.108  -1.011   4.070
  200    HZ1  LYS  23           HZ1      LYS  23  -3.573  -3.085   5.538
  201    HZ2  LYS  23           HZ2      LYS  23  -4.832  -3.396   4.455
  202    HZ3  LYS  23           HZ3      LYS  23  -5.144  -2.565   5.894
  203    H    ARG  24           HN       ARG  24  -5.169   2.653   0.059
  204    HA   ARG  24           HA       ARG  24  -7.831   2.495   0.938
  205    HB2  ARG  24           HB2      ARG  24  -6.589   4.166  -1.241
  206    HB3  ARG  24           HB1      ARG  24  -8.248   4.358  -0.694
  207    HG2  ARG  24           HG2      ARG  24  -7.427   4.871   1.562
  208    HG3  ARG  24           HG1      ARG  24  -5.770   4.726   0.974
  209    HD2  ARG  24           HD2      ARG  24  -6.164   6.551  -0.602
  210    HD3  ARG  24           HD1      ARG  24  -7.829   6.683  -0.041
  211    HE   ARG  24           HE       ARG  24  -6.197   6.960   2.185
  212   HH11  ARG  24          HH11      ARG  24  -6.417  10.207  -0.167
  213   HH12  ARG  24          HH12      ARG  24  -6.794   8.646  -0.819
  214   HH21  ARG  24          HH21      ARG  24  -5.797  10.418   2.037
  215   HH22  ARG  24          HH22      ARG  24  -5.711   9.016   3.058
  216    H    THR  25           HN       THR  25  -6.310   1.135  -1.864
  217    HA   THR  25           HA       THR  25  -8.685   0.889  -3.429
  218    HB   THR  25           HB       THR  25  -7.445  -0.627  -4.858
  219    HG1  THR  25           HG1      THR  25  -5.248  -0.501  -3.056
  220   HG21  THR  25          HG21      THR  25  -5.666   1.620  -3.909
  221   HG22  THR  25          HG22      THR  25  -6.962   1.763  -5.095
  222   HG23  THR  25          HG23      THR  25  -5.539   0.784  -5.456
  223    H    HIS  26           HN       HIS  26  -7.200  -0.952  -0.890
  224    HA   HIS  26           HA       HIS  26  -8.985  -3.222  -1.302
  225    HB2  HIS  26           HB2      HIS  26  -6.891  -2.748   0.829
  226    HB3  HIS  26           HB1      HIS  26  -7.795  -4.237   0.602
  227    HD1  HIS  26           HD1      HIS  26  -7.364  -5.289  -2.025
  228    HD2  HIS  26           HD2      HIS  26  -4.471  -2.851  -0.259
  229    HE1  HIS  26           HE1      HIS  26  -5.166  -5.780  -3.219
  230    H    THR  27           HN       THR  27  -8.525  -0.491   0.822
  231    HA   THR  27           HA       THR  27 -10.673  -1.446   2.576
  232    HB   THR  27           HB       THR  27  -9.847   0.382   4.118
  233    HG1  THR  27           HG1      THR  27  -7.688   0.388   2.244
  234   HG21  THR  27          HG21      THR  27  -7.879  -0.922   4.862
  235   HG22  THR  27          HG22      THR  27  -7.941  -1.831   3.351
  236   HG23  THR  27          HG23      THR  27  -9.270  -1.946   4.506
  237    H    GLY  28           HN       GLY  28 -11.217  -0.318  -0.005
  238    HA2  GLY  28           HA2      GLY  28 -12.376   2.297   0.609
  239    HA3  GLY  28           HA1      GLY  28 -12.308   1.539  -0.977
  240    H    GLU  29           HN       GLU  29 -13.364  -0.038   1.946
  241    HA   GLU  29           HA       GLU  29 -16.089  -0.203   0.843
  242    HB2  GLU  29           HB2      GLU  29 -14.691  -2.329   0.800
  243    HB3  GLU  29           HB1      GLU  29 -14.725  -2.289   2.557
  244    HG2  GLU  29           HG2      GLU  29 -17.151  -2.466   2.526
  245    HG3  GLU  29           HG1      GLU  29 -17.133  -2.487   0.764
  246    H    LYS  30           HN       LYS  30 -14.733   1.644   2.787
  247    HA   LYS  30           HA       LYS  30 -16.382   1.108   5.162
  248    HB2  LYS  30           HB2      LYS  30 -13.912   1.318   5.521
  249    HB3  LYS  30           HB1      LYS  30 -14.008   2.969   4.921
  250    HG2  LYS  30           HG2      LYS  30 -15.569   3.504   6.758
  251    HG3  LYS  30           HG1      LYS  30 -15.346   1.869   7.382
  252    HD2  LYS  30           HD2      LYS  30 -12.928   2.323   7.604
  253    HD3  LYS  30           HD1      LYS  30 -13.215   3.981   7.070
  254    HE2  LYS  30           HE2      LYS  30 -14.361   2.668   9.530
  255    HE3  LYS  30           HE1      LYS  30 -13.077   3.872   9.495
  256    HZ1  LYS  30           HZ1      LYS  30 -15.855   4.332   8.558
  257    HZ2  LYS  30           HZ2      LYS  30 -14.621   5.484   8.631
  258    HZ3  LYS  30           HZ3      LYS  30 -15.243   4.821  10.056
  259    HN1  NH2  31           HN1      NH2  31 -18.286   1.987   4.464
  260    HN2  NH2  31           HN2      NH2  31 -18.497   3.665   4.117
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1  14.438  -1.031   3.055
    2    H2   ARG   1           HT2      ARG   1  14.614  -1.805   4.545
    3    H3   ARG   1           HT3      ARG   1  13.601  -0.459   4.405
    4    HA   ARG   1           HA       ARG   1  13.187  -3.050   3.047
    5    HB2  ARG   1           HB2      ARG   1  11.331  -3.383   4.603
    6    HB3  ARG   1           HB1      ARG   1  12.839  -3.205   5.488
    7    HG2  ARG   1           HG2      ARG   1  12.284  -0.977   6.133
    8    HG3  ARG   1           HG1      ARG   1  10.883  -0.954   5.060
    9    HD2  ARG   1           HD2      ARG   1   9.875  -2.771   6.418
   10    HD3  ARG   1           HD1      ARG   1  11.254  -2.679   7.511
   11    HE   ARG   1           HE       ARG   1  10.479  -0.215   7.714
   12   HH11  ARG   1          HH11      ARG   1   7.078  -2.275   8.288
   13   HH12  ARG   1          HH12      ARG   1   8.368  -2.996   7.381
   14   HH21  ARG   1          HH21      ARG   1   8.768   0.733   8.888
   15   HH22  ARG   1          HH22      ARG   1   7.301  -0.162   9.136
   16    HA   PRO   2           HA       PRO   2  10.404  -0.510   0.618
   17    HB2  PRO   2           HB2      PRO   2   9.283  -2.454  -0.854
   18    HB3  PRO   2           HB1      PRO   2  10.952  -1.936  -1.127
   19    HG2  PRO   2           HG2      PRO   2   9.925  -4.332   0.336
   20    HG3  PRO   2           HG1      PRO   2  11.309  -4.200  -0.764
   21    HD2  PRO   2           HD2      PRO   2  11.513  -4.197   1.981
   22    HD3  PRO   2           HD1      PRO   2  12.707  -3.462   0.894
   23    H    PHE   3           HN       PHE   3   8.252   0.028   0.707
   24    HA   PHE   3           HA       PHE   3   6.719  -1.164   2.845
   25    HB2  PHE   3           HB2      PHE   3   6.103   1.121   0.957
   26    HB3  PHE   3           HB1      PHE   3   5.090   0.641   2.312
   27    HD1  PHE   3           HD1      PHE   3   8.064   2.423   1.284
   28    HD2  PHE   3           HD2      PHE   3   5.912   0.896   4.621
   29    HE1  PHE   3           HE1      PHE   3   9.383   3.857   2.787
   30    HE2  PHE   3           HE2      PHE   3   7.228   2.326   6.128
   31    HZ   PHE   3           HZ       PHE   3   8.966   3.808   5.211
   32    H    NLE   4           HN       NLE   4   6.160  -3.179   2.183
   33    HA   NLE   4           HA       NLE   4   5.011  -3.530  -0.481
   34    HB2  NLE   4           HB1      NLE   4   5.971  -5.576   1.525
   35    HB3  NLE   4           HB2      NLE   4   6.915  -4.959   0.179
   36    HG2  NLE   4           HG1      NLE   4   5.310  -5.931  -1.390
   37    HG3  NLE   4           HG2      NLE   4   4.371  -6.557  -0.032
   38    HD2  NLE   4           HD1      NLE   4   6.274  -7.919   0.673
   39    HD3  NLE   4           HD2      NLE   4   7.235  -7.280  -0.670
   40    HE1  NLE   4           HE1      NLE   4   6.318  -9.470  -1.220
   41    HE2  NLE   4           HE2      NLE   4   5.628  -8.221  -2.257
   42    HE3  NLE   4           HE3      NLE   4   4.687  -8.873  -0.914
   43    H    CYS   5           HN       CYS   5   2.946  -3.986  -0.813
   44    HA   CYS   5           HA       CYS   5   1.071  -4.109   1.327
   45    HB2  CYS   5           HB2      CYS   5   0.422  -3.186  -0.838
   46    HB3  CYS   5           HB1      CYS   5   0.759  -4.725  -1.619
   47    H    THR   6           HN       THR   6   0.116  -5.857   2.258
   48    HA   THR   6           HA       THR   6   0.945  -8.516   1.324
   49    HB   THR   6           HB       THR   6   0.849  -9.149   3.817
   50    HG1  THR   6           HG1      THR   6   0.257  -7.501   5.017
   51   HG21  THR   6          HG21      THR   6   3.056  -7.345   2.819
   52   HG22  THR   6          HG22      THR   6   2.929  -9.080   2.533
   53   HG23  THR   6          HG23      THR   6   3.180  -8.473   4.169
   54    H    TRP   7           HN       TRP   7  -1.386  -7.493   0.438
   55    HA   TRP   7           HA       TRP   7  -3.515  -8.352   2.234
   56    HB2  TRP   7           HB2      TRP   7  -3.562  -6.182   0.856
   57    HB3  TRP   7           HB1      TRP   7  -3.873  -7.219  -0.529
   58    HD1  TRP   7           HD1      TRP   7  -6.211  -8.672  -0.431
   59    HE1  TRP   7           HE1      TRP   7  -8.470  -8.058   0.640
   60    HE3  TRP   7           HE3      TRP   7  -4.619  -4.988   2.716
   61    HZ2  TRP   7           HZ2      TRP   7  -9.443  -6.239   2.575
   62    HZ3  TRP   7           HZ3      TRP   7  -6.271  -3.852   4.143
   63    HH2  TRP   7           HH2      TRP   7  -8.634  -4.464   4.071
   64    H    ORN   8           HT1      ORN   8  -2.147 -13.399  -3.672
   65    HA   ORN   8           HA       ORN   8  -3.003 -11.937  -1.993
   66    HB2  ORN   8           HB1      ORN   8  -1.196 -11.017  -0.378
   67    HB3  ORN   8           HB2      ORN   8  -0.338 -12.509  -0.729
   68    HG2  ORN   8           HG1      ORN   8  -1.552 -12.822   1.288
   69    HG3  ORN   8           HG2      ORN   8  -2.356 -13.762   0.031
   70    HD2  ORN   8           HD1      ORN   8  -3.998 -12.604   1.397
   71    HD3  ORN   8           HD2      ORN   8  -4.010 -11.970  -0.246
   72    HE1  ORN   8           HE       ORN   8  -2.877 -10.593   2.096
   73    HT3  ORN   8           HT3      ORN   8  -0.667 -13.527  -2.865
   74    H    CYS   9           HN       CYS   9  -2.848  -9.744  -2.278
   75    HA   CYS   9           HA       CYS   9  -1.363  -8.772  -4.489
   76    HB2  CYS   9           HB2      CYS   9  -3.500  -7.791  -3.909
   77    HB3  CYS   9           HB1      CYS   9  -2.916  -7.374  -2.305
   78    H    GLY  10           HN       GLY  10   0.752  -8.269  -4.492
   79    HA2  GLY  10           HA2      GLY  10   1.957  -7.369  -1.962
   80    HA3  GLY  10           HA1      GLY  10   2.696  -8.650  -2.907
   81    H    LYS  11           HN       LYS  11   1.394  -5.408  -3.496
   82    HA   LYS  11           HA       LYS  11   3.493  -4.841  -5.408
   83    HB2  LYS  11           HB2      LYS  11   1.068  -4.115  -5.638
   84    HB3  LYS  11           HB1      LYS  11   1.372  -2.967  -4.347
   85    HG2  LYS  11           HG2      LYS  11   2.792  -1.676  -5.667
   86    HG3  LYS  11           HG1      LYS  11   3.038  -2.978  -6.837
   87    HD2  LYS  11           HD2      LYS  11   0.658  -2.805  -7.476
   88    HD3  LYS  11           HD1      LYS  11   0.482  -1.442  -6.374
   89    HE2  LYS  11           HE2      LYS  11   2.450  -1.494  -8.649
   90    HE3  LYS  11           HE1      LYS  11   0.814  -0.860  -8.802
   91    HZ1  LYS  11           HZ1      LYS  11   1.328   0.749  -7.067
   92    HZ2  LYS  11           HZ2      LYS  11   2.387   0.901  -8.374
   93    HZ3  LYS  11           HZ3      LYS  11   2.905   0.149  -6.953
   94    H    ARG  12           HN       ARG  12   5.264  -3.590  -5.035
   95    HA   ARG  12           HA       ARG  12   5.750  -2.898  -2.224
   96    HB2  ARG  12           HB2      ARG  12   7.651  -3.398  -4.518
   97    HB3  ARG  12           HB1      ARG  12   8.163  -2.842  -2.930
   98    HG2  ARG  12           HG2      ARG  12   7.321  -4.867  -1.913
   99    HG3  ARG  12           HG1      ARG  12   6.703  -5.417  -3.471
  100    HD2  ARG  12           HD2      ARG  12   8.947  -5.558  -4.358
  101    HD3  ARG  12           HD1      ARG  12   9.608  -4.862  -2.880
  102    HE   ARG  12           HE       ARG  12   9.075  -6.877  -1.732
  103   HH11  ARG  12          HH11      ARG  12   8.604  -7.048  -5.202
  104   HH12  ARG  12          HH12      ARG  12   8.654  -8.782  -5.244
  105   HH21  ARG  12          HH21      ARG  12   8.965  -9.976  -3.311
  106   HH22  ARG  12          HH22      ARG  12   9.159  -9.155  -1.796
  107    H    PHE  13           HN       PHE  13   6.193  -0.882  -1.568
  108    HA   PHE  13           HA       PHE  13   6.316   1.220  -3.627
  109    HB2  PHE  13           HB2      PHE  13   4.974   1.359  -0.917
  110    HB3  PHE  13           HB1      PHE  13   5.053   2.663  -2.100
  111    HD1  PHE  13           HD1      PHE  13   3.768   2.561  -4.147
  112    HD2  PHE  13           HD2      PHE  13   3.491  -0.489  -1.205
  113    HE1  PHE  13           HE1      PHE  13   1.692   1.762  -5.185
  114    HE2  PHE  13           HE2      PHE  13   1.410  -1.295  -2.233
  115    HZ   PHE  13           HZ       PHE  13   0.568  -0.246  -4.277
  116    H    THR  14           HN       THR  14   7.584   3.028  -3.165
  117    HA   THR  14           HA       THR  14   9.824   2.491  -1.398
  118    HB   THR  14           HB       THR  14   9.438   4.915  -3.160
  119    HG1  THR  14           HG1      THR  14  10.476   2.345  -3.864
  120   HG21  THR  14          HG21      THR  14  11.885   4.890  -3.247
  121   HG22  THR  14          HG22      THR  14  11.915   3.450  -2.232
  122   HG23  THR  14          HG23      THR  14  11.321   4.976  -1.578
  123    H    ARG  15           HN       ARG  15   6.875   4.141  -1.301
  124    HA   ARG  15           HA       ARG  15   7.762   5.693   1.025
  125    HB2  ARG  15           HB2      ARG  15   6.003   6.671  -1.230
  126    HB3  ARG  15           HB1      ARG  15   6.175   7.510   0.305
  127    HG2  ARG  15           HG2      ARG  15   8.581   7.757  -0.115
  128    HG3  ARG  15           HG1      ARG  15   8.378   6.949  -1.671
  129    HD2  ARG  15           HD2      ARG  15   6.988   9.504  -0.868
  130    HD3  ARG  15           HD1      ARG  15   8.458   9.423  -1.836
  131    HE   ARG  15           HE       ARG  15   6.698   7.838  -3.176
  132   HH11  ARG  15          HH11      ARG  15   6.624  11.149  -2.041
  133   HH12  ARG  15          HH12      ARG  15   5.631  11.710  -3.348
  134   HH21  ARG  15          HH21      ARG  15   5.409   8.576  -4.911
  135   HH22  ARG  15          HH22      ARG  15   4.943  10.245  -4.983
  136    H    SER  16           HN       SER  16   6.463   5.666   2.739
  137    HA   SER  16           HA       SER  16   4.556   3.605   2.976
  138    HB2  SER  16           HB2      SER  16   5.922   4.397   4.867
  139    HB3  SER  16           HB1      SER  16   5.076   5.941   4.832
  140    HG   SER  16           HG       SER  16   3.903   4.910   6.271
  141    H    ASP  17           HN       ASP  17   4.254   7.050   2.376
  142    HA   ASP  17           HA       ASP  17   1.473   7.283   2.777
  143    HB2  ASP  17           HB2      ASP  17   3.380   8.852   1.043
  144    HB3  ASP  17           HB1      ASP  17   1.678   9.254   1.184
  145    H    GLU  18           HN       GLU  18   3.401   6.192   0.080
  146    HA   GLU  18           HA       GLU  18   1.216   6.090  -1.761
  147    HB2  GLU  18           HB2      GLU  18   4.014   4.984  -1.832
  148    HB3  GLU  18           HB1      GLU  18   2.851   4.689  -3.117
  149    HG2  GLU  18           HG2      GLU  18   3.815   7.387  -2.198
  150    HG3  GLU  18           HG1      GLU  18   4.330   6.536  -3.658
  151    H    LEU  19           HN       LEU  19   2.814   3.805   0.407
  152    HA   LEU  19           HA       LEU  19   1.366   1.527  -0.407
  153    HB2  LEU  19           HB2      LEU  19   3.294   1.272   1.009
  154    HB3  LEU  19           HB1      LEU  19   2.559   2.245   2.266
  155    HG   LEU  19           HG       LEU  19   0.831   0.499   2.585
  156   HD11  LEU  19          HD11      LEU  19   2.502  -1.062   0.621
  157   HD12  LEU  19          HD12      LEU  19   0.850  -0.491   0.372
  158   HD13  LEU  19          HD13      LEU  19   1.187  -1.717   1.595
  159   HD21  LEU  19          HD21      LEU  19   2.941   0.585   3.917
  160   HD22  LEU  19          HD22      LEU  19   3.615  -0.623   2.820
  161   HD23  LEU  19          HD23      LEU  19   2.209  -1.015   3.805
  162    H    GLN  20           HN       GLN  20   0.698   3.945   2.120
  163    HA   GLN  20           HA       GLN  20  -1.755   2.858   2.967
  164    HB2  GLN  20           HB2      GLN  20  -0.635   4.520   4.311
  165    HB3  GLN  20           HB1      GLN  20  -0.735   5.705   3.015
  166    HG2  GLN  20           HG2      GLN  20  -3.126   5.823   3.245
  167    HG3  GLN  20           HG1      GLN  20  -3.110   4.523   4.433
  168   HE21  GLN  20          HE21      GLN  20  -4.079   7.289   4.624
  169   HE22  GLN  20          HE22      GLN  20  -3.247   7.973   5.977
  170    H    ARG  21           HN       ARG  21  -0.985   5.312   0.554
  171    HA   ARG  21           HA       ARG  21  -3.483   5.967  -0.425
  172    HB2  ARG  21           HB2      ARG  21  -1.354   6.972  -1.171
  173    HB3  ARG  21           HB1      ARG  21  -0.942   5.480  -1.993
  174    HG2  ARG  21           HG2      ARG  21  -2.874   5.787  -3.479
  175    HG3  ARG  21           HG1      ARG  21  -3.218   7.321  -2.675
  176    HD2  ARG  21           HD2      ARG  21  -0.957   8.109  -3.301
  177    HD3  ARG  21           HD1      ARG  21  -0.705   6.603  -4.180
  178    HE   ARG  21           HE       ARG  21  -3.058   7.986  -5.021
  179   HH11  ARG  21          HH11      ARG  21   0.425   7.821  -5.409
  180   HH12  ARG  21          HH12      ARG  21   0.400   8.567  -6.976
  181   HH21  ARG  21          HH21      ARG  21  -3.084   8.980  -7.071
  182   HH22  ARG  21          HH22      ARG  21  -1.593   9.233  -7.920
  183    H    HIS  22           HN       HIS  22  -1.353   3.360  -1.531
  184    HA   HIS  22           HA       HIS  22  -3.081   2.144  -3.331
  185    HB2  HIS  22           HB2      HIS  22  -0.787   1.547  -3.372
  186    HB3  HIS  22           HB1      HIS  22  -0.791   1.099  -1.670
  187    HD1  HIS  22           HD1      HIS  22  -1.627  -0.251  -5.082
  188    HD2  HIS  22           HD2      HIS  22  -1.790  -1.417  -1.082
  189    HE1  HIS  22           HE1      HIS  22  -2.192  -2.738  -5.065
  190    H    LYS  23           HN       LYS  23  -2.637   1.534   0.139
  191    HA   LYS  23           HA       LYS  23  -4.297  -0.680   0.393
  192    HB2  LYS  23           HB2      LYS  23  -3.649   1.522   2.339
  193    HB3  LYS  23           HB1      LYS  23  -4.615   0.122   2.779
  194    HG2  LYS  23           HG2      LYS  23  -1.797  -0.003   1.731
  195    HG3  LYS  23           HG1      LYS  23  -2.251  -0.073   3.434
  196    HD2  LYS  23           HD2      LYS  23  -3.606  -2.085   2.947
  197    HD3  LYS  23           HD1      LYS  23  -3.030  -2.034   1.281
  198    HE2  LYS  23           HE2      LYS  23  -1.723  -3.625   2.552
  199    HE3  LYS  23           HE1      LYS  23  -0.719  -2.248   2.097
  200    HZ1  LYS  23           HZ1      LYS  23  -1.058  -1.335   4.324
  201    HZ2  LYS  23           HZ2      LYS  23  -0.337  -2.862   4.387
  202    HZ3  LYS  23           HZ3      LYS  23  -1.977  -2.689   4.750
  203    H    ARG  24           HN       ARG  24  -5.114   2.699   0.066
  204    HA   ARG  24           HA       ARG  24  -7.783   2.500   0.997
  205    HB2  ARG  24           HB2      ARG  24  -6.415   4.460  -0.825
  206    HB3  ARG  24           HB1      ARG  24  -8.123   4.592  -0.432
  207    HG2  ARG  24           HG2      ARG  24  -7.541   4.721   1.953
  208    HG3  ARG  24           HG1      ARG  24  -5.832   4.662   1.518
  209    HD2  ARG  24           HD2      ARG  24  -6.599   6.962   1.921
  210    HD3  ARG  24           HD1      ARG  24  -6.054   6.729   0.262
  211    HE   ARG  24           HE       ARG  24  -8.584   6.386  -0.160
  212   HH11  ARG  24          HH11      ARG  24  -8.488   9.774   1.994
  213   HH12  ARG  24          HH12      ARG  24  -7.199   8.627   2.150
  214   HH21  ARG  24          HH21      ARG  24 -10.253   9.346   0.572
  215   HH22  ARG  24          HH22      ARG  24 -10.284   7.879  -0.356
  216    H    THR  25           HN       THR  25  -6.372   1.147  -1.746
  217    HA   THR  25           HA       THR  25  -8.796   1.173  -3.326
  218    HB   THR  25           HB       THR  25  -6.356   1.025  -4.252
  219    HG1  THR  25           HG1      THR  25  -8.146   0.893  -5.613
  220   HG21  THR  25          HG21      THR  25  -5.627  -1.283  -4.719
  221   HG22  THR  25          HG22      THR  25  -6.931  -1.888  -3.697
  222   HG23  THR  25          HG23      THR  25  -5.631  -0.930  -2.991
  223    H    HIS  26           HN       HIS  26  -7.240  -0.831  -0.950
  224    HA   HIS  26           HA       HIS  26  -8.959  -3.107  -1.437
  225    HB2  HIS  26           HB2      HIS  26  -6.981  -2.512   0.775
  226    HB3  HIS  26           HB1      HIS  26  -7.905  -4.003   0.661
  227    HD1  HIS  26           HD1      HIS  26  -7.439  -5.311  -1.817
  228    HD2  HIS  26           HD2      HIS  26  -4.556  -2.700  -0.314
  229    HE1  HIS  26           HE1      HIS  26  -5.241  -5.913  -2.962
  230    H    THR  27           HN       THR  27  -8.567  -0.572   0.993
  231    HA   THR  27           HA       THR  27 -11.392  -0.533   1.462
  232    HB   THR  27           HB       THR  27 -10.656  -2.415   2.934
  233    HG1  THR  27           HG1      THR  27 -12.485  -1.369   3.599
  234   HG21  THR  27          HG21      THR  27  -9.397  -1.902   4.976
  235   HG22  THR  27          HG22      THR  27  -9.155  -0.250   4.409
  236   HG23  THR  27          HG23      THR  27  -8.431  -1.596   3.530
  237    H    GLY  28           HN       GLY  28 -12.046   1.357   2.559
  238    HA2  GLY  28           HA2      GLY  28 -11.067   3.331   3.867
  239    HA3  GLY  28           HA1      GLY  28  -9.950   3.423   2.512
  240    H    GLU  29           HN       GLU  29 -13.439   2.877   2.752
  241    HA   GLU  29           HA       GLU  29 -13.891   4.563   0.452
  242    HB2  GLU  29           HB2      GLU  29 -15.813   3.032   2.218
  243    HB3  GLU  29           HB1      GLU  29 -16.265   3.885   0.752
  244    HG2  GLU  29           HG2      GLU  29 -14.893   2.409  -0.578
  245    HG3  GLU  29           HG1      GLU  29 -14.321   1.589   0.872
  246    H    LYS  30           HN       LYS  30 -13.005   6.452   1.635
  247    HA   LYS  30           HA       LYS  30 -14.451   7.570   3.830
  248    HB2  LYS  30           HB2      LYS  30 -12.431   8.860   1.984
  249    HB3  LYS  30           HB1      LYS  30 -12.987   9.521   3.513
  250    HG2  LYS  30           HG2      LYS  30 -11.426   6.972   3.139
  251    HG3  LYS  30           HG1      LYS  30 -10.799   8.503   3.749
  252    HD2  LYS  30           HD2      LYS  30 -12.954   6.842   5.058
  253    HD3  LYS  30           HD1      LYS  30 -11.266   6.907   5.560
  254    HE2  LYS  30           HE2      LYS  30 -11.508   9.309   6.008
  255    HE3  LYS  30           HE1      LYS  30 -13.204   9.218   5.533
  256    HZ1  LYS  30           HZ1      LYS  30 -13.559   7.635   7.347
  257    HZ2  LYS  30           HZ2      LYS  30 -13.011   9.128   7.911
  258    HZ3  LYS  30           HZ3      LYS  30 -11.947   7.815   7.830
  259    HN1  NH2  31           HN1      NH2  31 -16.558   7.814   3.213
  260    HN2  NH2  31           HN2      NH2  31 -17.086   8.968   2.035
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1  13.207   0.645   4.101
    2    H2   ARG   1           HT2      ARG   1  14.236  -0.034   2.947
    3    H3   ARG   1           HT3      ARG   1  14.385  -0.474   4.571
    4    HA   ARG   1           HA       ARG   1  13.289  -2.188   3.269
    5    HB2  ARG   1           HB2      ARG   1  11.331  -2.482   4.727
    6    HB3  ARG   1           HB1      ARG   1  12.733  -1.967   5.651
    7    HG2  ARG   1           HG2      ARG   1  11.883   0.250   5.860
    8    HG3  ARG   1           HG1      ARG   1  10.589  -0.080   4.708
    9    HD2  ARG   1           HD2      ARG   1   9.602  -1.684   6.252
   10    HD3  ARG   1           HD1      ARG   1  10.911  -1.408   7.398
   11    HE   ARG   1           HE       ARG   1  10.036   1.006   7.340
   12   HH11  ARG   1          HH11      ARG   1   6.623  -1.081   7.709
   13   HH12  ARG   1          HH12      ARG   1   8.007  -1.829   6.977
   14   HH21  ARG   1          HH21      ARG   1   8.199   1.996   8.280
   15   HH22  ARG   1          HH22      ARG   1   6.725   1.094   8.426
   16    HA   PRO   2           HA       PRO   2  10.406  -0.647   0.213
   17    HB2  PRO   2           HB2      PRO   2   9.651  -3.001  -0.846
   18    HB3  PRO   2           HB1      PRO   2  11.248  -2.307  -1.161
   19    HG2  PRO   2           HG2      PRO   2  10.462  -4.488   0.726
   20    HG3  PRO   2           HG1      PRO   2  11.899  -4.359  -0.304
   21    HD2  PRO   2           HD2      PRO   2  11.856  -3.781   2.394
   22    HD3  PRO   2           HD1      PRO   2  13.038  -3.119   1.248
   23    H    PHE   3           HN       PHE   3   8.297  -0.138   0.395
   24    HA   PHE   3           HA       PHE   3   6.824  -1.295   2.599
   25    HB2  PHE   3           HB2      PHE   3   6.155   0.976   0.717
   26    HB3  PHE   3           HB1      PHE   3   5.178   0.499   2.101
   27    HD1  PHE   3           HD1      PHE   3   8.112   2.290   0.993
   28    HD2  PHE   3           HD2      PHE   3   6.086   0.711   4.382
   29    HE1  PHE   3           HE1      PHE   3   9.490   3.696   2.466
   30    HE2  PHE   3           HE2      PHE   3   7.459   2.116   5.861
   31    HZ   PHE   3           HZ       PHE   3   9.166   3.610   4.903
   32    H    NLE   4           HN       NLE   4   6.158  -3.271   2.082
   33    HA   NLE   4           HA       NLE   4   4.984  -3.783  -0.542
   34    HB2  NLE   4           HB1      NLE   4   5.733  -5.703   1.671
   35    HB3  NLE   4           HB2      NLE   4   6.785  -5.258   0.338
   36    HG2  NLE   4           HG1      NLE   4   5.186  -6.244  -1.241
   37    HG3  NLE   4           HG2      NLE   4   4.158  -6.713   0.116
   38    HD2  NLE   4           HD1      NLE   4   5.945  -8.119   1.004
   39    HD3  NLE   4           HD2      NLE   4   7.001  -7.636  -0.332
   40    HE1  NLE   4           HE1      NLE   4   4.385  -9.114  -0.579
   41    HE2  NLE   4           HE2      NLE   4   5.993  -9.810  -0.772
   42    HE3  NLE   4           HE3      NLE   4   5.407  -8.608  -1.922
   43    H    CYS   5           HN       CYS   5   2.883  -4.118  -0.856
   44    HA   CYS   5           HA       CYS   5   0.957  -3.781   1.172
   45    HB2  CYS   5           HB2      CYS   5   0.376  -3.303  -1.121
   46    HB3  CYS   5           HB1      CYS   5   0.724  -4.959  -1.600
   47    H    THR   6           HN       THR   6  -0.290  -5.244   2.282
   48    HA   THR   6           HA       THR   6   0.711  -8.006   2.266
   49    HB   THR   6           HB       THR   6  -0.053  -7.958   4.724
   50    HG1  THR   6           HG1      THR   6  -0.685  -6.082   5.491
   51   HG21  THR   6          HG21      THR   6   2.293  -8.062   4.072
   52   HG22  THR   6          HG22      THR   6   2.089  -6.978   5.448
   53   HG23  THR   6          HG23      THR   6   2.320  -6.315   3.831
   54    H    TRP   7           HN       TRP   7  -1.530  -6.932   0.735
   55    HA   TRP   7           HA       TRP   7  -3.809  -8.195   2.083
   56    HB2  TRP   7           HB2      TRP   7  -3.832  -5.794   1.012
   57    HB3  TRP   7           HB1      TRP   7  -4.049  -6.682  -0.487
   58    HD1  TRP   7           HD1      TRP   7  -6.299  -8.316  -0.564
   59    HE1  TRP   7           HE1      TRP   7  -8.617  -7.913   0.488
   60    HE3  TRP   7           HE3      TRP   7  -5.004  -4.776   2.866
   61    HZ2  TRP   7           HZ2      TRP   7  -9.740  -6.291   2.512
   62    HZ3  TRP   7           HZ3      TRP   7  -6.755  -3.838   4.323
   63    HH2  TRP   7           HH2      TRP   7  -9.073  -4.581   4.145
   64    H    ORN   8           HT1      ORN   8  -0.987 -13.331  -4.366
   65    HA   ORN   8           HA       ORN   8  -3.123 -11.974  -2.841
   66    HB2  ORN   8           HB1      ORN   8  -0.368 -12.905  -1.996
   67    HB3  ORN   8           HB2      ORN   8  -1.900 -13.566  -1.445
   68    HG2  ORN   8           HG1      ORN   8  -1.000 -10.735  -0.966
   69    HG3  ORN   8           HG2      ORN   8  -0.817 -12.057   0.188
   70    HD2  ORN   8           HD1      ORN   8  -3.133 -12.261   0.500
   71    HD3  ORN   8           HD2      ORN   8  -3.497 -11.342  -0.958
   72    HE1  ORN   8           HE       ORN   8  -2.639 -10.236   1.611
   73    HT3  ORN   8           HT3      ORN   8  -2.409 -14.060  -3.811
   74    H    CYS   9           HN       CYS   9  -2.911  -9.788  -2.666
   75    HA   CYS   9           HA       CYS   9  -1.249  -8.498  -4.609
   76    HB2  CYS   9           HB2      CYS   9  -3.537  -7.721  -4.087
   77    HB3  CYS   9           HB1      CYS   9  -3.013  -7.310  -2.459
   78    H    GLY  10           HN       GLY  10   0.792  -7.927  -4.303
   79    HA2  GLY  10           HA2      GLY  10   1.653  -6.995  -1.672
   80    HA3  GLY  10           HA1      GLY  10   2.484  -8.377  -2.363
   81    H    LYS  11           HN       LYS  11   1.316  -5.332  -3.796
   82    HA   LYS  11           HA       LYS  11   3.691  -4.917  -5.287
   83    HB2  LYS  11           HB2      LYS  11   1.354  -3.161  -4.588
   84    HB3  LYS  11           HB1      LYS  11   2.757  -2.497  -5.415
   85    HG2  LYS  11           HG2      LYS  11   2.440  -4.209  -7.191
   86    HG3  LYS  11           HG1      LYS  11   0.944  -4.690  -6.388
   87    HD2  LYS  11           HD2      LYS  11  -0.026  -2.536  -6.739
   88    HD3  LYS  11           HD1      LYS  11   1.508  -1.880  -7.313
   89    HE2  LYS  11           HE2      LYS  11   0.047  -2.302  -9.193
   90    HE3  LYS  11           HE1      LYS  11   1.413  -3.411  -9.241
   91    HZ1  LYS  11           HZ1      LYS  11  -1.293  -4.083  -8.224
   92    HZ2  LYS  11           HZ2      LYS  11   0.014  -5.147  -8.349
   93    HZ3  LYS  11           HZ3      LYS  11  -0.689  -4.506  -9.744
   94    H    ARG  12           HN       ARG  12   5.433  -3.576  -4.930
   95    HA   ARG  12           HA       ARG  12   5.807  -2.792  -2.122
   96    HB2  ARG  12           HB2      ARG  12   7.867  -3.521  -4.212
   97    HB3  ARG  12           HB1      ARG  12   8.243  -2.976  -2.583
   98    HG2  ARG  12           HG2      ARG  12   7.050  -4.929  -1.683
   99    HG3  ARG  12           HG1      ARG  12   6.755  -5.484  -3.330
  100    HD2  ARG  12           HD2      ARG  12   9.155  -5.665  -3.712
  101    HD3  ARG  12           HD1      ARG  12   9.472  -5.057  -2.086
  102    HE   ARG  12           HE       ARG  12   7.845  -7.462  -2.305
  103   HH11  ARG  12          HH11      ARG  12  11.019  -6.098  -1.752
  104   HH12  ARG  12          HH12      ARG  12  11.599  -7.475  -0.876
  105   HH21  ARG  12          HH21      ARG  12  10.224  -9.292  -0.534
  106   HH22  ARG  12          HH22      ARG  12   8.609  -9.284  -1.161
  107    H    PHE  13           HN       PHE  13   6.198  -0.767  -1.615
  108    HA   PHE  13           HA       PHE  13   6.500   1.189  -3.796
  109    HB2  PHE  13           HB2      PHE  13   5.081   1.519  -1.140
  110    HB3  PHE  13           HB1      PHE  13   5.189   2.728  -2.418
  111    HD1  PHE  13           HD1      PHE  13   3.972   2.419  -4.522
  112    HD2  PHE  13           HD2      PHE  13   3.540  -0.287  -1.272
  113    HE1  PHE  13           HE1      PHE  13   1.915   1.536  -5.540
  114    HE2  PHE  13           HE2      PHE  13   1.481  -1.174  -2.280
  115    HZ   PHE  13           HZ       PHE  13   0.690  -0.294  -4.434
  116    H    THR  14           HN       THR  14   7.436   3.313  -2.965
  117    HA   THR  14           HA       THR  14   9.809   2.647  -1.381
  118    HB   THR  14           HB       THR  14  10.575   4.948  -2.297
  119    HG1  THR  14           HG1      THR  14   8.136   4.903  -3.301
  120   HG21  THR  14          HG21      THR  14  10.217   2.587  -4.145
  121   HG22  THR  14          HG22      THR  14  11.539   2.817  -3.004
  122   HG23  THR  14          HG23      THR  14  11.361   3.905  -4.378
  123    H    ARG  15           HN       ARG  15   6.888   4.391  -1.155
  124    HA   ARG  15           HA       ARG  15   7.855   5.641   1.325
  125    HB2  ARG  15           HB2      ARG  15   5.953   6.964  -0.621
  126    HB3  ARG  15           HB1      ARG  15   6.586   7.660   0.862
  127    HG2  ARG  15           HG2      ARG  15   8.846   7.608  -0.102
  128    HG3  ARG  15           HG1      ARG  15   8.174   6.972  -1.603
  129    HD2  ARG  15           HD2      ARG  15   8.488   9.332  -1.858
  130    HD3  ARG  15           HD1      ARG  15   6.759   9.012  -1.758
  131    HE   ARG  15           HE       ARG  15   7.673   9.578   0.816
  132   HH11  ARG  15          HH11      ARG  15   7.260  11.211  -2.257
  133   HH12  ARG  15          HH12      ARG  15   7.073  12.779  -1.541
  134   HH21  ARG  15          HH21      ARG  15   7.417  11.638   1.758
  135   HH22  ARG  15          HH22      ARG  15   7.159  13.022   0.747
  136    H    SER  16           HN       SER  16   6.425   5.670   3.012
  137    HA   SER  16           HA       SER  16   4.534   3.639   3.200
  138    HB2  SER  16           HB2      SER  16   4.639   6.143   4.899
  139    HB3  SER  16           HB1      SER  16   3.951   4.583   5.348
  140    HG   SER  16           HG       SER  16   6.618   5.384   5.188
  141    H    ASP  17           HN       ASP  17   4.158   7.003   2.281
  142    HA   ASP  17           HA       ASP  17   1.342   7.129   2.491
  143    HB2  ASP  17           HB2      ASP  17   2.782   9.135   2.348
  144    HB3  ASP  17           HB1      ASP  17   3.149   8.735   0.676
  145    H    GLU  18           HN       GLU  18   3.512   6.150  -0.096
  146    HA   GLU  18           HA       GLU  18   1.626   5.882  -2.162
  147    HB2  GLU  18           HB2      GLU  18   4.127   4.275  -1.621
  148    HB3  GLU  18           HB1      GLU  18   3.217   4.221  -3.121
  149    HG2  GLU  18           HG2      GLU  18   3.720   6.604  -3.470
  150    HG3  GLU  18           HG1      GLU  18   4.685   6.587  -1.994
  151    H    LEU  19           HN       LEU  19   2.806   3.636   0.285
  152    HA   LEU  19           HA       LEU  19   1.211   1.445  -0.510
  153    HB2  LEU  19           HB2      LEU  19   3.189   1.108   0.821
  154    HB3  LEU  19           HB1      LEU  19   2.540   2.097   2.112
  155    HG   LEU  19           HG       LEU  19   0.801   0.422   2.544
  156   HD11  LEU  19          HD11      LEU  19   0.898  -1.760   1.455
  157   HD12  LEU  19          HD12      LEU  19   2.193  -1.190   0.405
  158   HD13  LEU  19          HD13      LEU  19   0.582  -0.480   0.286
  159   HD21  LEU  19          HD21      LEU  19   2.992   0.332   3.693
  160   HD22  LEU  19          HD22      LEU  19   3.553  -0.810   2.470
  161   HD23  LEU  19          HD23      LEU  19   2.219  -1.246   3.539
  162    H    GLN  20           HN       GLN  20   0.732   3.972   1.932
  163    HA   GLN  20           HA       GLN  20  -1.674   2.950   2.981
  164    HB2  GLN  20           HB2      GLN  20  -0.466   5.700   2.930
  165    HB3  GLN  20           HB1      GLN  20  -2.037   5.401   3.661
  166    HG2  GLN  20           HG2      GLN  20   0.526   4.035   4.449
  167    HG3  GLN  20           HG1      GLN  20  -0.208   5.397   5.297
  168   HE21  GLN  20          HE21      GLN  20  -0.430   2.011   4.583
  169   HE22  GLN  20          HE22      GLN  20  -1.647   1.631   5.751
  170    H    ARG  21           HN       ARG  21  -1.063   5.358   0.458
  171    HA   ARG  21           HA       ARG  21  -3.718   5.882  -0.251
  172    HB2  ARG  21           HB2      ARG  21  -1.990   7.277  -1.126
  173    HB3  ARG  21           HB1      ARG  21  -1.163   5.910  -1.854
  174    HG2  ARG  21           HG2      ARG  21  -3.023   5.631  -3.421
  175    HG3  ARG  21           HG1      ARG  21  -3.821   7.028  -2.699
  176    HD2  ARG  21           HD2      ARG  21  -2.119   8.498  -3.439
  177    HD3  ARG  21           HD1      ARG  21  -1.057   7.161  -3.875
  178    HE   ARG  21           HE       ARG  21  -3.247   6.769  -5.428
  179   HH11  ARG  21          HH11      ARG  21  -1.136   9.522  -4.914
  180   HH12  ARG  21          HH12      ARG  21  -1.287  10.094  -6.544
  181   HH21  ARG  21          HH21      ARG  21  -3.441   7.520  -7.570
  182   HH22  ARG  21          HH22      ARG  21  -2.608   8.963  -8.051
  183    H    HIS  22           HN       HIS  22  -1.454   3.419  -1.410
  184    HA   HIS  22           HA       HIS  22  -3.103   2.180  -3.279
  185    HB2  HIS  22           HB2      HIS  22  -0.785   1.609  -3.239
  186    HB3  HIS  22           HB1      HIS  22  -0.862   1.126  -1.550
  187    HD1  HIS  22           HD1      HIS  22  -1.543  -0.153  -5.023
  188    HD2  HIS  22           HD2      HIS  22  -1.904  -1.392  -1.058
  189    HE1  HIS  22           HE1      HIS  22  -2.118  -2.636  -5.080
  190    H    LYS  23           HN       LYS  23  -2.701   1.522   0.187
  191    HA   LYS  23           HA       LYS  23  -4.387  -0.685   0.380
  192    HB2  LYS  23           HB2      LYS  23  -3.630   1.428   2.379
  193    HB3  LYS  23           HB1      LYS  23  -4.654   0.068   2.805
  194    HG2  LYS  23           HG2      LYS  23  -1.884  -0.208   1.668
  195    HG3  LYS  23           HG1      LYS  23  -2.252  -0.208   3.392
  196    HD2  LYS  23           HD2      LYS  23  -3.797  -2.139   2.960
  197    HD3  LYS  23           HD1      LYS  23  -3.160  -2.195   1.317
  198    HE2  LYS  23           HE2      LYS  23  -2.021  -3.808   2.728
  199    HE3  LYS  23           HE1      LYS  23  -0.909  -2.546   2.200
  200    HZ1  LYS  23           HZ1      LYS  23  -1.135  -1.481   4.350
  201    HZ2  LYS  23           HZ2      LYS  23  -0.634  -3.083   4.550
  202    HZ3  LYS  23           HZ3      LYS  23  -2.241  -2.656   4.854
  203    H    ARG  24           HN       ARG  24  -5.178   2.688   0.085
  204    HA   ARG  24           HA       ARG  24  -7.774   2.587   1.173
  205    HB2  ARG  24           HB2      ARG  24  -6.692   4.394  -0.993
  206    HB3  ARG  24           HB1      ARG  24  -8.230   4.622  -0.172
  207    HG2  ARG  24           HG2      ARG  24  -6.912   4.705   1.985
  208    HG3  ARG  24           HG1      ARG  24  -5.467   4.819   0.982
  209    HD2  ARG  24           HD2      ARG  24  -7.803   6.723   0.977
  210    HD3  ARG  24           HD1      ARG  24  -6.215   7.026   1.677
  211    HE   ARG  24           HE       ARG  24  -6.302   6.428  -1.174
  212   HH11  ARG  24          HH11      ARG  24  -5.486  10.075   0.312
  213   HH12  ARG  24          HH12      ARG  24  -6.032   8.816   1.370
  214   HH21  ARG  24          HH21      ARG  24  -5.577   8.084  -2.583
  215   HH22  ARG  24          HH22      ARG  24  -5.216   9.658  -1.942
  216    H    THR  25           HN       THR  25  -6.507   1.497  -1.874
  217    HA   THR  25           HA       THR  25  -9.032   1.389  -3.208
  218    HB   THR  25           HB       THR  25  -7.919   0.062  -4.921
  219    HG1  THR  25           HG1      THR  25  -5.631   0.091  -3.206
  220   HG21  THR  25          HG21      THR  25  -7.604   2.475  -4.984
  221   HG22  THR  25          HG22      THR  25  -6.151   1.652  -5.549
  222   HG23  THR  25          HG23      THR  25  -6.201   2.336  -3.925
  223    H    HIS  26           HN       HIS  26  -7.302  -0.715  -1.044
  224    HA   HIS  26           HA       HIS  26  -9.046  -2.974  -1.525
  225    HB2  HIS  26           HB2      HIS  26  -7.034  -2.430   0.667
  226    HB3  HIS  26           HB1      HIS  26  -7.965  -3.914   0.537
  227    HD1  HIS  26           HD1      HIS  26  -7.535  -5.148  -2.009
  228    HD2  HIS  26           HD2      HIS  26  -4.615  -2.659  -0.369
  229    HE1  HIS  26           HE1      HIS  26  -5.329  -5.769  -3.127
  230    H    THR  27           HN       THR  27  -8.710  -0.343   0.742
  231    HA   THR  27           HA       THR  27 -10.536  -1.228   2.684
  232    HB   THR  27           HB       THR  27  -9.887   1.651   2.018
  233    HG1  THR  27           HG1      THR  27  -7.972   0.369   2.345
  234   HG21  THR  27          HG21      THR  27 -10.329   2.030   4.394
  235   HG22  THR  27          HG22      THR  27 -10.704   0.320   4.606
  236   HG23  THR  27          HG23      THR  27 -11.742   1.332   3.601
  237    H    GLY  28           HN       GLY  28 -10.962   0.651  -0.277
  238    HA2  GLY  28           HA2      GLY  28 -13.659  -0.135  -0.533
  239    HA3  GLY  28           HA1      GLY  28 -13.586   1.496   0.118
  240    H    GLU  29           HN       GLU  29 -14.780   1.826  -1.966
  241    HA   GLU  29           HA       GLU  29 -12.859   2.667  -3.995
  242    HB2  GLU  29           HB2      GLU  29 -13.688   0.504  -4.775
  243    HB3  GLU  29           HB1      GLU  29 -15.347   1.042  -4.561
  244    HG2  GLU  29           HG2      GLU  29 -15.153   2.612  -6.334
  245    HG3  GLU  29           HG1      GLU  29 -13.415   2.346  -6.457
  246    H    LYS  30           HN       LYS  30 -16.016   2.865  -2.534
  247    HA   LYS  30           HA       LYS  30 -17.078   4.970  -4.051
  248    HB2  LYS  30           HB2      LYS  30 -17.569   4.155  -1.182
  249    HB3  LYS  30           HB1      LYS  30 -18.544   5.331  -2.055
  250    HG2  LYS  30           HG2      LYS  30 -19.340   3.690  -3.562
  251    HG3  LYS  30           HG1      LYS  30 -18.154   2.508  -3.006
  252    HD2  LYS  30           HD2      LYS  30 -20.365   2.019  -2.104
  253    HD3  LYS  30           HD1      LYS  30 -19.238   2.445  -0.820
  254    HE2  LYS  30           HE2      LYS  30 -20.158   4.706  -0.752
  255    HE3  LYS  30           HE1      LYS  30 -21.268   4.301  -2.059
  256    HZ1  LYS  30           HZ1      LYS  30 -22.302   2.659  -0.633
  257    HZ2  LYS  30           HZ2      LYS  30 -22.341   4.179   0.103
  258    HZ3  LYS  30           HZ3      LYS  30 -21.224   3.019   0.621
  259    HN1  NH2  31           HN1      NH2  31 -15.828   5.193  -0.739
  260    HN2  NH2  31           HN2      NH2  31 -15.158   6.776  -0.907
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1  14.295   0.187   3.054
    2    H2   ARG   1           HT2      ARG   1  14.775  -0.625   4.455
    3    H3   ARG   1           HT3      ARG   1  13.418   0.386   4.484
    4    HA   ARG   1           HA       ARG   1  13.677  -2.124   2.938
    5    HB2  ARG   1           HB2      ARG   1  12.009  -1.468   5.377
    6    HB3  ARG   1           HB1      ARG   1  11.949  -2.979   4.483
    7    HG2  ARG   1           HG2      ARG   1  14.219  -3.489   5.114
    8    HG3  ARG   1           HG1      ARG   1  14.378  -1.925   5.913
    9    HD2  ARG   1           HD2      ARG   1  12.623  -2.550   7.496
   10    HD3  ARG   1           HD1      ARG   1  12.450  -4.111   6.695
   11    HE   ARG   1           HE       ARG   1  15.113  -3.874   7.425
   12   HH11  ARG   1          HH11      ARG   1  12.627  -4.733  10.460
   13   HH12  ARG   1          HH12      ARG   1  12.009  -3.979   9.027
   14   HH21  ARG   1          HH21      ARG   1  15.942  -4.871   9.314
   15   HH22  ARG   1          HH22      ARG   1  14.866  -5.245  10.624
   16    HA   PRO   2           HA       PRO   2  10.460  -0.234   0.494
   17    HB2  PRO   2           HB2      PRO   2   9.641  -2.450  -0.847
   18    HB3  PRO   2           HB1      PRO   2  11.128  -1.579  -1.244
   19    HG2  PRO   2           HG2      PRO   2  10.763  -4.079   0.355
   20    HG3  PRO   2           HG1      PRO   2  12.002  -3.692  -0.852
   21    HD2  PRO   2           HD2      PRO   2  12.460  -3.550   1.820
   22    HD3  PRO   2           HD1      PRO   2  13.272  -2.490   0.652
   23    H    PHE   3           HN       PHE   3   8.279  -0.018   0.570
   24    HA   PHE   3           HA       PHE   3   6.939  -1.367   2.769
   25    HB2  PHE   3           HB2      PHE   3   6.027   0.902   0.981
   26    HB3  PHE   3           HB1      PHE   3   5.178   0.319   2.402
   27    HD1  PHE   3           HD1      PHE   3   7.919   2.322   1.164
   28    HD2  PHE   3           HD2      PHE   3   6.113   0.681   4.649
   29    HE1  PHE   3           HE1      PHE   3   9.206   3.881   2.562
   30    HE2  PHE   3           HE2      PHE   3   7.396   2.239   6.053
   31    HZ   PHE   3           HZ       PHE   3   8.946   3.827   5.030
   32    H    NLE   4           HN       NLE   4   5.989  -3.244   2.331
   33    HA   NLE   4           HA       NLE   4   5.008  -3.723  -0.391
   34    HB2  NLE   4           HB1      NLE   4   5.757  -5.662   1.804
   35    HB3  NLE   4           HB2      NLE   4   6.728  -5.276   0.394
   36    HG2  NLE   4           HG1      NLE   4   5.064  -6.276  -1.061
   37    HG3  NLE   4           HG2      NLE   4   4.032  -6.615   0.330
   38    HD2  NLE   4           HD1      NLE   4   5.783  -8.074   1.261
   39    HD3  NLE   4           HD2      NLE   4   6.784  -7.757  -0.164
   40    HE1  NLE   4           HE1      NLE   4   4.054  -9.037  -0.177
   41    HE2  NLE   4           HE2      NLE   4   5.592  -9.879  -0.376
   42    HE3  NLE   4           HE3      NLE   4   5.057  -8.721  -1.594
   43    H    CYS   5           HN       CYS   5   2.911  -4.103  -0.783
   44    HA   CYS   5           HA       CYS   5   0.946  -3.781   1.232
   45    HB2  CYS   5           HB2      CYS   5   0.407  -3.214  -1.053
   46    HB3  CYS   5           HB1      CYS   5   0.746  -4.856  -1.584
   47    H    THR   6           HN       THR   6  -0.115  -5.239   2.458
   48    HA   THR   6           HA       THR   6   0.824  -8.012   2.277
   49    HB   THR   6           HB       THR   6  -0.005  -8.073   4.718
   50    HG1  THR   6           HG1      THR   6   0.550  -5.377   4.928
   51   HG21  THR   6          HG21      THR   6   2.118  -7.125   5.532
   52   HG22  THR   6          HG22      THR   6   2.384  -6.390   3.951
   53   HG23  THR   6          HG23      THR   6   2.354  -8.146   4.116
   54    H    TRP   7           HN       TRP   7  -1.560  -6.660   0.922
   55    HA   TRP   7           HA       TRP   7  -3.772  -8.103   2.164
   56    HB2  TRP   7           HB2      TRP   7  -3.891  -5.677   1.273
   57    HB3  TRP   7           HB1      TRP   7  -3.971  -6.419  -0.317
   58    HD1  TRP   7           HD1      TRP   7  -6.112  -8.227  -0.619
   59    HE1  TRP   7           HE1      TRP   7  -8.519  -7.980   0.265
   60    HE3  TRP   7           HE3      TRP   7  -5.269  -4.751   3.015
   61    HZ2  TRP   7           HZ2      TRP   7  -9.879  -6.492   2.249
   62    HZ3  TRP   7           HZ3      TRP   7  -7.172  -3.957   4.362
   63    HH2  TRP   7           HH2      TRP   7  -9.428  -4.810   3.986
   64    H    ORN   8           HT1      ORN   8  -1.564 -13.396  -4.428
   65    HA   ORN   8           HA       ORN   8  -3.486 -11.822  -2.831
   66    HB2  ORN   8           HB1      ORN   8  -0.701 -12.790  -2.139
   67    HB3  ORN   8           HB2      ORN   8  -2.196 -13.453  -1.491
   68    HG2  ORN   8           HG1      ORN   8  -1.284 -10.611  -1.111
   69    HG3  ORN   8           HG2      ORN   8  -1.043 -11.913   0.056
   70    HD2  ORN   8           HD1      ORN   8  -3.367 -12.142   0.432
   71    HD3  ORN   8           HD2      ORN   8  -3.767 -11.156  -0.971
   72    HE1  ORN   8           HE       ORN   8  -2.940 -10.206   1.645
   73    HT3  ORN   8           HT3      ORN   8  -2.980 -13.996  -3.723
   74    H    CYS   9           HN       CYS   9  -2.942  -9.649  -2.557
   75    HA   CYS   9           HA       CYS   9  -1.307  -8.516  -4.667
   76    HB2  CYS   9           HB2      CYS   9  -3.524  -7.576  -4.174
   77    HB3  CYS   9           HB1      CYS   9  -3.013  -7.227  -2.528
   78    H    GLY  10           HN       GLY  10   0.714  -7.708  -4.370
   79    HA2  GLY  10           HA2      GLY  10   1.629  -7.079  -1.675
   80    HA3  GLY  10           HA1      GLY  10   2.448  -8.396  -2.497
   81    H    LYS  11           HN       LYS  11   1.248  -5.339  -3.818
   82    HA   LYS  11           HA       LYS  11   3.555  -4.837  -5.334
   83    HB2  LYS  11           HB2      LYS  11   1.385  -2.966  -4.378
   84    HB3  LYS  11           HB1      LYS  11   2.653  -2.488  -5.499
   85    HG2  LYS  11           HG2      LYS  11   1.870  -4.324  -7.015
   86    HG3  LYS  11           HG1      LYS  11   0.493  -4.533  -5.931
   87    HD2  LYS  11           HD2      LYS  11  -0.163  -2.208  -6.306
   88    HD3  LYS  11           HD1      LYS  11   1.224  -1.984  -7.374
   89    HE2  LYS  11           HE2      LYS  11   0.323  -3.717  -8.870
   90    HE3  LYS  11           HE1      LYS  11  -1.074  -3.889  -7.811
   91    HZ1  LYS  11           HZ1      LYS  11  -1.561  -2.473  -9.706
   92    HZ2  LYS  11           HZ2      LYS  11  -0.314  -1.418  -9.275
   93    HZ3  LYS  11           HZ3      LYS  11  -1.659  -1.592  -8.265
   94    H    ARG  12           HN       ARG  12   5.327  -3.538  -5.025
   95    HA   ARG  12           HA       ARG  12   5.909  -2.835  -2.236
   96    HB2  ARG  12           HB2      ARG  12   7.786  -3.071  -4.600
   97    HB3  ARG  12           HB1      ARG  12   8.265  -2.735  -2.943
   98    HG2  ARG  12           HG2      ARG  12   7.477  -4.927  -2.254
   99    HG3  ARG  12           HG1      ARG  12   6.945  -5.263  -3.902
  100    HD2  ARG  12           HD2      ARG  12   9.781  -4.778  -2.983
  101    HD3  ARG  12           HD1      ARG  12   9.090  -6.314  -3.505
  102    HE   ARG  12           HE       ARG  12   9.370  -3.991  -5.308
  103   HH11  ARG  12          HH11      ARG  12   9.778  -7.409  -4.634
  104   HH12  ARG  12          HH12      ARG  12  10.253  -7.794  -6.253
  105   HH21  ARG  12          HH21      ARG  12  10.380  -6.148  -7.845
  106   HH22  ARG  12          HH22      ARG  12  10.006  -4.504  -7.426
  107    H    PHE  13           HN       PHE  13   6.487  -0.810  -1.631
  108    HA   PHE  13           HA       PHE  13   6.443   1.307  -3.671
  109    HB2  PHE  13           HB2      PHE  13   5.116   1.432  -0.954
  110    HB3  PHE  13           HB1      PHE  13   5.130   2.711  -2.165
  111    HD1  PHE  13           HD1      PHE  13   3.797   2.509  -4.194
  112    HD2  PHE  13           HD2      PHE  13   3.669  -0.449  -1.145
  113    HE1  PHE  13           HE1      PHE  13   1.734   1.591  -5.171
  114    HE2  PHE  13           HE2      PHE  13   1.607  -1.369  -2.111
  115    HZ   PHE  13           HZ       PHE  13   0.637  -0.346  -4.129
  116    H    THR  14           HN       THR  14   7.789   3.064  -3.251
  117    HA   THR  14           HA       THR  14   9.943   2.558  -1.381
  118    HB   THR  14           HB       THR  14   9.575   4.946  -3.209
  119    HG1  THR  14           HG1      THR  14   9.809   2.456  -3.945
  120   HG21  THR  14          HG21      THR  14  12.027   5.082  -3.086
  121   HG22  THR  14          HG22      THR  14  12.047   3.719  -1.970
  122   HG23  THR  14          HG23      THR  14  11.294   5.239  -1.490
  123    H    ARG  15           HN       ARG  15   6.981   4.146  -1.321
  124    HA   ARG  15           HA       ARG  15   7.800   5.743   1.003
  125    HB2  ARG  15           HB2      ARG  15   6.002   6.641  -1.258
  126    HB3  ARG  15           HB1      ARG  15   6.262   7.541   0.227
  127    HG2  ARG  15           HG2      ARG  15   8.609   7.799  -0.305
  128    HG3  ARG  15           HG1      ARG  15   8.409   6.816  -1.754
  129    HD2  ARG  15           HD2      ARG  15   6.950   9.404  -1.260
  130    HD3  ARG  15           HD1      ARG  15   8.459   9.282  -2.158
  131    HE   ARG  15           HE       ARG  15   6.619   7.484  -3.273
  132   HH11  ARG  15          HH11      ARG  15   7.099  10.935  -2.921
  133   HH12  ARG  15          HH12      ARG  15   6.269  11.335  -4.390
  134   HH21  ARG  15          HH21      ARG  15   5.516   8.008  -5.219
  135   HH22  ARG  15          HH22      ARG  15   5.371   9.674  -5.699
  136    H    SER  16           HN       SER  16   6.446   5.679   2.706
  137    HA   SER  16           HA       SER  16   4.632   3.524   2.858
  138    HB2  SER  16           HB2      SER  16   4.133   4.648   5.154
  139    HB3  SER  16           HB1      SER  16   5.744   3.997   4.855
  140    HG   SER  16           HG       SER  16   4.979   6.552   5.342
  141    H    ASP  17           HN       ASP  17   4.202   6.954   2.317
  142    HA   ASP  17           HA       ASP  17   1.401   7.023   2.761
  143    HB2  ASP  17           HB2      ASP  17   2.752   9.074   2.701
  144    HB3  ASP  17           HB1      ASP  17   3.095   8.804   0.998
  145    H    GLU  18           HN       GLU  18   3.391   6.164   0.018
  146    HA   GLU  18           HA       GLU  18   1.294   6.051  -1.887
  147    HB2  GLU  18           HB2      GLU  18   3.962   4.645  -1.794
  148    HB3  GLU  18           HB1      GLU  18   2.863   4.570  -3.164
  149    HG2  GLU  18           HG2      GLU  18   3.025   7.028  -3.360
  150    HG3  GLU  18           HG1      GLU  18   4.224   7.011  -2.067
  151    H    LEU  19           HN       LEU  19   2.747   3.724   0.329
  152    HA   LEU  19           HA       LEU  19   1.217   1.498  -0.468
  153    HB2  LEU  19           HB2      LEU  19   3.179   1.179   0.870
  154    HB3  LEU  19           HB1      LEU  19   2.526   2.169   2.159
  155    HG   LEU  19           HG       LEU  19   0.810   0.478   2.616
  156   HD11  LEU  19          HD11      LEU  19   0.883  -1.691   1.512
  157   HD12  LEU  19          HD12      LEU  19   2.175  -1.126   0.456
  158   HD13  LEU  19          HD13      LEU  19   0.568  -0.403   0.350
  159   HD21  LEU  19          HD21      LEU  19   2.229  -1.167   3.607
  160   HD22  LEU  19          HD22      LEU  19   3.056   0.389   3.703
  161   HD23  LEU  19          HD23      LEU  19   3.535  -0.797   2.487
  162    H    GLN  20           HN       GLN  20   0.671   3.926   2.078
  163    HA   GLN  20           HA       GLN  20  -1.753   2.884   3.026
  164    HB2  GLN  20           HB2      GLN  20  -0.598   4.617   4.257
  165    HB3  GLN  20           HB1      GLN  20  -0.789   5.745   2.921
  166    HG2  GLN  20           HG2      GLN  20  -3.228   5.651   3.226
  167    HG3  GLN  20           HG1      GLN  20  -2.993   4.591   4.612
  168   HE21  GLN  20          HE21      GLN  20  -3.973   6.022   6.001
  169   HE22  GLN  20          HE22      GLN  20  -3.206   7.485   6.516
  170    H    ARG  21           HN       ARG  21  -1.129   5.362   0.570
  171    HA   ARG  21           HA       ARG  21  -3.754   5.881  -0.197
  172    HB2  ARG  21           HB2      ARG  21  -1.829   7.212  -0.940
  173    HB3  ARG  21           HB1      ARG  21  -1.265   5.861  -1.909
  174    HG2  ARG  21           HG2      ARG  21  -3.356   6.011  -3.233
  175    HG3  ARG  21           HG1      ARG  21  -3.772   7.463  -2.319
  176    HD2  ARG  21           HD2      ARG  21  -1.722   8.538  -3.080
  177    HD3  ARG  21           HD1      ARG  21  -1.287   7.092  -3.982
  178    HE   ARG  21           HE       ARG  21  -3.487   8.929  -4.612
  179   HH11  ARG  21          HH11      ARG  21  -1.470   6.212  -5.489
  180   HH12  ARG  21          HH12      ARG  21  -1.885   6.283  -7.171
  181   HH21  ARG  21          HH21      ARG  21  -4.019   9.036  -6.837
  182   HH22  ARG  21          HH22      ARG  21  -3.332   7.881  -7.934
  183    H    HIS  22           HN       HIS  22  -1.475   3.445  -1.357
  184    HA   HIS  22           HA       HIS  22  -3.105   2.268  -3.294
  185    HB2  HIS  22           HB2      HIS  22  -0.802   1.698  -3.327
  186    HB3  HIS  22           HB1      HIS  22  -0.818   1.212  -1.635
  187    HD1  HIS  22           HD1      HIS  22  -1.631  -0.077  -5.085
  188    HD2  HIS  22           HD2      HIS  22  -1.795  -1.325  -1.108
  189    HE1  HIS  22           HE1      HIS  22  -2.217  -2.557  -5.114
  190    H    LYS  23           HN       LYS  23  -2.689   1.490   0.153
  191    HA   LYS  23           HA       LYS  23  -4.372  -0.744   0.187
  192    HB2  LYS  23           HB2      LYS  23  -3.578   1.191   2.344
  193    HB3  LYS  23           HB1      LYS  23  -4.647  -0.168   2.661
  194    HG2  LYS  23           HG2      LYS  23  -2.861  -1.680   1.801
  195    HG3  LYS  23           HG1      LYS  23  -1.795  -0.276   1.718
  196    HD2  LYS  23           HD2      LYS  23  -1.985   0.075   4.088
  197    HD3  LYS  23           HD1      LYS  23  -3.199  -1.201   4.219
  198    HE2  LYS  23           HE2      LYS  23  -1.516  -2.836   3.459
  199    HE3  LYS  23           HE1      LYS  23  -0.312  -1.547   3.415
  200    HZ1  LYS  23           HZ1      LYS  23  -1.779  -2.443   5.835
  201    HZ2  LYS  23           HZ2      LYS  23  -0.598  -1.238   5.786
  202    HZ3  LYS  23           HZ3      LYS  23  -0.182  -2.842   5.457
  203    H    ARG  24           HN       ARG  24  -5.107   2.614   0.037
  204    HA   ARG  24           HA       ARG  24  -7.761   2.428   1.040
  205    HB2  ARG  24           HB2      ARG  24  -6.374   4.492  -0.658
  206    HB3  ARG  24           HB1      ARG  24  -8.051   4.648  -0.151
  207    HG2  ARG  24           HG2      ARG  24  -7.350   4.551   2.190
  208    HG3  ARG  24           HG1      ARG  24  -5.669   4.402   1.677
  209    HD2  ARG  24           HD2      ARG  24  -6.177   6.693   2.314
  210    HD3  ARG  24           HD1      ARG  24  -5.807   6.593   0.595
  211    HE   ARG  24           HE       ARG  24  -8.526   6.384   0.718
  212   HH11  ARG  24          HH11      ARG  24  -6.189   8.709   1.896
  213   HH12  ARG  24          HH12      ARG  24  -7.257  10.064   1.712
  214   HH21  ARG  24          HH21      ARG  24  -9.387   9.754   0.916
  215   HH22  ARG  24          HH22      ARG  24  -9.934   8.164   0.480
  216    H    THR  25           HN       THR  25  -6.398   1.238  -1.801
  217    HA   THR  25           HA       THR  25  -8.856   1.349  -3.327
  218    HB   THR  25           HB       THR  25  -7.758  -0.128  -4.932
  219    HG1  THR  25           HG1      THR  25  -5.426  -0.099  -3.310
  220   HG21  THR  25          HG21      THR  25  -7.290   2.266  -5.079
  221   HG22  THR  25          HG22      THR  25  -5.887   1.319  -5.578
  222   HG23  THR  25          HG23      THR  25  -5.921   2.073  -3.983
  223    H    HIS  26           HN       HIS  26  -7.187  -0.856  -1.167
  224    HA   HIS  26           HA       HIS  26  -9.133  -2.967  -1.492
  225    HB2  HIS  26           HB2      HIS  26  -7.055  -2.575   0.675
  226    HB3  HIS  26           HB1      HIS  26  -8.002  -4.032   0.420
  227    HD1  HIS  26           HD1      HIS  26  -7.488  -5.176  -2.126
  228    HD2  HIS  26           HD2      HIS  26  -4.632  -2.683  -0.390
  229    HE1  HIS  26           HE1      HIS  26  -5.260  -5.732  -3.233
  230    H    THR  27           HN       THR  27  -8.891  -0.058   0.075
  231    HA   THR  27           HA       THR  27  -9.984   1.088   1.663
  232    HB   THR  27           HB       THR  27 -12.424   0.597   1.957
  233    HG1  THR  27           HG1      THR  27 -11.771  -1.749   0.911
  234   HG21  THR  27          HG21      THR  27 -13.015   1.266  -0.341
  235   HG22  THR  27          HG22      THR  27 -11.376   0.873  -0.857
  236   HG23  THR  27          HG23      THR  27 -11.649   2.181   0.295
  237    H    GLY  28           HN       GLY  28  -8.281  -0.527   2.803
  238    HA2  GLY  28           HA2      GLY  28  -9.241  -2.305   4.747
  239    HA3  GLY  28           HA1      GLY  28  -7.733  -1.406   4.853
  240    H    GLU  29           HN       GLU  29  -9.770  -2.027   6.930
  241    HA   GLU  29           HA       GLU  29 -11.192   0.445   7.354
  242    HB2  GLU  29           HB2      GLU  29 -12.116  -1.855   7.853
  243    HB3  GLU  29           HB1      GLU  29 -11.015  -1.917   9.221
  244    HG2  GLU  29           HG2      GLU  29 -12.086  -0.027  10.241
  245    HG3  GLU  29           HG1      GLU  29 -13.117   0.197   8.825
  246    H    LYS  30           HN       LYS  30  -9.918   2.084   7.921
  247    HA   LYS  30           HA       LYS  30  -8.150   1.721  10.239
  248    HB2  LYS  30           HB2      LYS  30  -8.140   3.775   8.023
  249    HB3  LYS  30           HB1      LYS  30  -7.184   3.951   9.485
  250    HG2  LYS  30           HG2      LYS  30  -6.957   1.687   7.513
  251    HG3  LYS  30           HG1      LYS  30  -5.871   3.074   7.622
  252    HD2  LYS  30           HD2      LYS  30  -5.403   2.398   9.994
  253    HD3  LYS  30           HD1      LYS  30  -6.312   0.919   9.681
  254    HE2  LYS  30           HE2      LYS  30  -3.852   1.824   8.195
  255    HE3  LYS  30           HE1      LYS  30  -3.900   0.577   9.437
  256    HZ1  LYS  30           HZ1      LYS  30  -5.326   0.471   6.836
  257    HZ2  LYS  30           HZ2      LYS  30  -5.347  -0.731   8.022
  258    HZ3  LYS  30           HZ3      LYS  30  -3.908  -0.368   7.214
  259    HN1  NH2  31           HN1      NH2  31  -9.923   4.442   8.833
  260    HN2  NH2  31           HN2      NH2  31 -10.676   4.945  10.306