*HEADER    DNA BINDING PROTEIN                     19-JUL-19   6PV3              
*TITLE     BACKBONE-MODIFIED VARIANT OF ZINC FINGER 2 FROM THE TRANSCRIPTION     
*TITLE    2 FACTOR SP1 DNA BINDING DOMAIN: ALTERED HELIX, LOOP, TURN, AND SHEET  
*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   2   15-NOV-23 6PV3    1                                                
*REVDAT   1   24-JUN-20 6PV3    0                                                
# Restraints file 1: wsh2039_ambig.tbl
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    2 and name  HE1) 1.837 0.422 0.422 weight 1.000 ! spec=NOESY, no=22, id=19, vol=1.570000e+08
    or (segid "    " and resid    2 and name  HD1) (segid "    " and resid    2 and name  HE2)
    or (segid "    " and resid    2 and name  HD2) (segid "    " and resid    2 and name  HE1)
    or (segid "    " and resid    2 and name  HD2) (segid "    " and resid    2 and name  HE2)
    or (segid "    " and resid    6 and name  HH2) (segid "    " and resid    6 and name  HZ2)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HA2) 2.055 0.528 0.528 weight 1.000 ! spec=NOESY, no=44, id=40, vol=8.010000e+07
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HA) 2.253 0.634 0.634 weight 1.000 ! spec=NOESY, no=79, id=75, vol=4.620000e+07
    or (segid "    " and resid   21 and name  HA2) (segid "    " and resid   18 and name   HA)
    or (segid "    " and resid   21 and name  HA1) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HA1) 2.274 0.647 0.647 weight 1.000 ! spec=NOESY, no=83, id=79, vol=4.360000e+07
    or (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HA1)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid   19 and name HD12) 2.429 0.737 0.737 weight 1.000 ! spec=NOESY, no=127, id=123, vol=2.940000e+07
    or (segid "    " and resid    2 and name  HB2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid    2 and name  HB2) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD12)
    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)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name  HB2) 2.432 0.739 0.739 weight 1.000 ! spec=NOESY, no=128, id=124, vol=2.920000e+07
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB2)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=141, id=137, vol=2.710000e+07
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid    8 and name  HA2) (segid "    " and resid    8 and name   HN) 2.500 0.781 0.781 weight 1.000 ! spec=NOESY, no=161, id=157, vol=2.470000e+07
    or (segid "    " and resid    8 and name  HA2) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name  HB1) 2.514 0.790 0.790 weight 1.000 ! spec=NOESY, no=166, id=162, vol=2.390000e+07
    or (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HB1)
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HB2)
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HB1)
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   10 and name   HN) 2.559 0.818 0.818 weight 1.000 ! spec=NOESY, no=188, id=184, vol=2.150000e+07
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   15 and name  HG2) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   15 and name  HG1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HD2) 2.561 0.820 0.820 weight 1.000 ! spec=NOESY, no=190, id=186, vol=2.140000e+07
    or (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    3 and name  HG2) (segid "    " and resid   12 and name  HG2)
    or (segid "    " and resid    3 and name  HG2) (segid "    " and resid   12 and name  HG1)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid   12 and name  HG2)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid   12 and name  HG1)
assign (segid "    " and resid    6 and name  HE3) (segid "    " and resid    6 and name  HB1) 2.594 0.841 0.841 weight 1.000 ! spec=NOESY, no=210, id=206, vol=1.980000e+07
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HG2)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 2.608 0.850 0.850 weight 1.000 ! spec=NOESY, no=217, id=213, vol=1.920000e+07
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    6 and name  HH2) (segid "    " and resid   27 and name HD21) 2.624 0.860 0.860 weight 1.000 ! spec=NOESY, no=227, id=223, vol=1.850000e+07
    or (segid "    " and resid    6 and name  HH2) (segid "    " and resid   27 and name HD22)
    or (segid "    " and resid    6 and name  HH2) (segid "    " and resid   27 and name HD23)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name HD21)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name HD22)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name HD23)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB2) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=251, id=247, vol=1.690000e+07
    or (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name  HG1)
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   21 and name  HA2) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=258, id=254, vol=1.630000e+07
    or (segid "    " and resid   21 and name  HD2) (segid "    " and resid   21 and name  HA1)
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HA2)
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HA1)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    1 and name  HB2)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB1) 2.685 0.901 0.901 weight 1.000 ! spec=NOESY, no=262, id=258, vol=1.610000e+07
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB1)
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name   HN) 2.702 0.913 0.913 weight 1.000 ! spec=NOESY, no=271, id=267, vol=1.550000e+07
    or (segid "    " and resid   29 and name   HA) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid    4 and name  HB2) 2.711 0.919 0.919 weight 1.000 ! spec=NOESY, no=275, id=271, vol=1.520000e+07
    or (segid "    " and resid   19 and name HD21) (segid "    " and resid    4 and name  HB2)
    or (segid "    " and resid   19 and name HD23) (segid "    " and resid    4 and name  HB2)
    or (segid "    " and resid   19 and name HD22) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   19 and name HD21) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   19 and name HD23) (segid "    " and resid   13 and name  HB2)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   13 and name  HE1) 2.790 0.973 0.973 weight 1.000 ! spec=NOESY, no=314, id=309, vol=1.280000e+07
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   24 and name  HA1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid   13 and name  HD1) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=340, id=335, vol=1.140000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   12 and name  HM1) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   12 and name  HM1) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   12 and name  HM2) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   12 and name  HM2) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   12 and name  HM3) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   12 and name  HM3) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid    6 and name  HH2) (segid "    " and resid   26 and name  HB1) 2.861 1.023 1.023 weight 1.000 ! spec=NOESY, no=349, id=344, vol=1.100000e+07
    or (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name  HB1)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB1)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name   HN) 2.866 1.026 1.026 weight 1.000 ! spec=NOESY, no=351, id=346, vol=1.090000e+07
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   27 and name   HN)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HE1) 2.879 1.036 1.036 weight 1.000 ! spec=NOESY, no=358, id=353, vol=1.060000e+07
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   18 and name  HB2) 2.893 1.046 1.046 weight 1.000 ! spec=NOESY, no=366, id=361, vol=1.030000e+07
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   21 and name  HA2)
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   21 and name  HA1)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid   11 and name   HN) 2.910 1.058 1.058 weight 1.000 ! spec=NOESY, no=379, id=374, vol=9.940000e+06
    or (segid "    " and resid   12 and name  HM1) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   12 and name  HM2) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   12 and name  HM3) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid    7 and name HB22) (segid "    " and resid    6 and name   HA) 2.935 1.077 1.077 weight 1.000 ! spec=NOESY, no=389, id=384, vol=9.440000e+06
    or (segid "    " and resid    7 and name HB21) (segid "    " and resid    6 and name   HA)
    or (segid "    " and resid    7 and name HB23) (segid "    " and resid    6 and name   HA)
    or (segid "    " and resid    7 and name HB22) (segid "    " and resid    8 and name  HA2)
    or (segid "    " and resid    7 and name HB21) (segid "    " and resid    8 and name  HA2)
    or (segid "    " and resid    7 and name HB23) (segid "    " and resid    8 and name  HA2)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid    3 and name   HA) 2.963 1.097 1.097 weight 1.000 ! spec=NOESY, no=408, id=403, vol=8.920000e+06
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid    3 and name   HA)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   21 and name  HG2) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=417, id=412, vol=8.600000e+06
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   21 and name  HG2)
    or (segid "    " and resid   20 and name  HG2) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   17 and name   HN) 3.075 1.182 1.182 weight 1.000 ! spec=NOESY, no=447, id=442, vol=7.140000e+06
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   20 and name   HN) 3.103 1.204 1.204 weight 1.000 ! spec=NOESY, no=457, id=452, vol=6.760000e+06
    or (segid "    " and resid   21 and name  HD2) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid    6 and name  HE3) (segid "    " and resid   23 and name  HD1) 3.110 1.209 1.209 weight 1.000 ! spec=NOESY, no=461, id=456, vol=6.670000e+06
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name  HG2)
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name  HG1)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD2) 3.145 1.236 1.236 weight 1.000 ! spec=NOESY, no=472, id=467, vol=6.240000e+06
    or (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD1)
    or (segid "    " and resid   17 and name  HA2) (segid "    " and resid   15 and name  HD1)
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    9 and name  HB1) 3.151 1.241 1.241 weight 1.000 ! spec=NOESY, no=475, id=470, vol=6.160000e+06
    or (segid "    " and resid   26 and name  HE1) (segid "    " and resid    9 and name  HB1)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name  HD2) 3.156 1.245 1.245 weight 1.000 ! spec=NOESY, no=476, id=471, vol=6.110000e+06
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HE1) 3.162 1.250 1.250 weight 1.000 ! spec=NOESY, no=480, id=475, vol=6.040000e+06
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HE2)
    or (segid "    " and resid   18 and name  HG2) (segid "    " and resid   13 and name  HE1)
    or (segid "    " and resid   18 and name  HG2) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HN) 3.165 1.252 1.252 weight 1.000 ! spec=NOESY, no=482, id=477, vol=6.000000e+06
    or (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HN) 3.199 1.279 1.279 weight 1.000 ! spec=NOESY, no=497, id=492, vol=5.630000e+06
    or (segid "    " and resid   29 and name  HB2) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid    8 and name  HA2) (segid "    " and resid    9 and name  HB2) 3.210 1.288 1.288 weight 1.000 ! spec=NOESY, no=502, id=497, vol=5.520000e+06
    or (segid "    " and resid   10 and name  HA2) (segid "    " and resid    9 and name  HB2)
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   26 and name  HE1) 3.288 1.351 1.351 weight 1.000 ! spec=NOESY, no=530, id=525, vol=4.780000e+06
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   26 and name  HE1)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   26 and name  HE1)
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HD2) 3.291 1.354 1.354 weight 1.000 ! spec=NOESY, no=532, id=527, vol=4.750000e+06
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HD1)
    or (segid "    " and resid   27 and name   HG) (segid "    " and resid   30 and name  HG2)
    or (segid "    " and resid   27 and name   HG) (segid "    " and resid   30 and name  HG1)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name  HA2) 3.304 1.364 1.364 weight 1.000 ! spec=NOESY, no=536, id=531, vol=4.640000e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   18 and name   HN) 3.326 1.383 1.383 weight 1.000 ! spec=NOESY, no=541, id=536, vol=4.460000e+06
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   18 and name   HN) 3.335 1.390 1.390 weight 1.000 ! spec=NOESY, no=544, id=539, vol=4.390000e+06
    or (segid "    " and resid   17 and name   HB) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   23 and name   HN) 3.353 1.405 1.405 weight 1.000 ! spec=NOESY, no=548, id=543, vol=4.250000e+06
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name  HB1) 3.432 1.473 1.473 weight 1.000 ! spec=NOESY, no=563, id=558, vol=3.690000e+06
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   12 and name  HM1)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   14 and name   HA) 3.466 1.502 1.502 weight 1.000 ! spec=NOESY, no=571, id=566, vol=3.480000e+06
    or (segid "    " and resid   15 and name  HG1) (segid "    " and resid   14 and name   HA)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid   14 and name   HA)
assign (segid "    " and resid   13 and name  HE1) (segid "    " and resid   22 and name   HN) 3.480 1.513 1.513 weight 1.000 ! spec=NOESY, no=572, id=567, vol=3.400000e+06
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid    8 and name   HN) 3.530 1.557 1.557 weight 1.000 ! spec=NOESY, no=583, id=578, vol=3.120000e+06
    or (segid "    " and resid    6 and name  HD1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   19 and name   HN) 3.592 1.613 1.613 weight 1.000 ! spec=NOESY, no=595, id=590, vol=2.810000e+06
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name   HN)
# Restraints file 2: wsh2039_unambig.tbl
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HG1) 1.587 0.315 0.315 weight 1.000 ! spec=NOESY, no=3, id=0, vol=3.780000e+08
assign (segid "    " and resid   28 and name  HA1) (segid "    " and resid   28 and name  HA2) 1.603 0.321 0.321 weight 1.000 ! spec=NOESY, no=4, id=1, vol=3.560000e+08
assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   18 and name  HG1) 1.653 0.341 0.341 weight 1.000 ! spec=NOESY, no=5, id=2, vol=2.960000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HB2) 1.658 0.343 0.343 weight 1.000 ! spec=NOESY, no=6, id=3, vol=2.910000e+08
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name  HD2) 1.673 0.350 0.350 weight 1.000 ! spec=NOESY, no=7, id=4, vol=2.750000e+08
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name  HB2) 1.685 0.355 0.355 weight 1.000 ! spec=NOESY, no=8, id=5, vol=2.640000e+08
assign (segid "    " and resid    1 and name  HG2) (segid "    " and resid    1 and name  HG1) 1.685 0.355 0.355 weight 1.000 ! spec=NOESY, no=9, id=6, vol=2.640000e+08
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HB1) 1.728 0.373 0.373 weight 1.000 ! spec=NOESY, no=10, id=7, vol=2.270000e+08
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   10 and name  HA2) 1.729 0.374 0.374 weight 1.000 ! spec=NOESY, no=11, id=8, vol=2.260000e+08
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name  HB2) 1.734 0.376 0.376 weight 1.000 ! spec=NOESY, no=13, id=10, vol=2.220000e+08
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HG1) 1.741 0.379 0.379 weight 1.000 ! spec=NOESY, no=14, id=11, vol=2.170000e+08
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   24 and name  HA1) 1.746 0.381 0.381 weight 1.000 ! spec=NOESY, no=15, id=12, vol=2.130000e+08
assign (segid "    " and resid   27 and name  HA2) (segid "    " and resid   27 and name  HA1) 1.783 0.397 0.397 weight 1.000 ! spec=NOESY, no=16, id=13, vol=1.880000e+08
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HD2) 1.794 0.402 0.402 weight 1.000 ! spec=NOESY, no=17, id=14, vol=1.810000e+08
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HD1)
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   21 and name  HG2) 1.801 0.405 0.405 weight 1.000 ! spec=NOESY, no=18, id=15, vol=1.770000e+08
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HG2)
assign (segid "    " and resid    2 and name   HZ) (segid "    " and resid    2 and name  HE1) 1.804 0.407 0.407 weight 1.000 ! spec=NOESY, no=19, id=16, vol=1.750000e+08
    or (segid "    " and resid    2 and name   HZ) (segid "    " and resid    2 and name  HE2)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HB2) 1.833 0.420 0.420 weight 1.000 ! spec=NOESY, no=20, id=17, vol=1.590000e+08
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HB2) 1.835 0.421 0.421 weight 1.000 ! spec=NOESY, no=21, id=18, vol=1.580000e+08
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name  HB2) 1.839 0.423 0.423 weight 1.000 ! spec=NOESY, no=23, id=20, vol=1.560000e+08
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HB1) 1.886 0.445 0.445 weight 1.000 ! spec=NOESY, no=25, id=22, vol=1.340000e+08
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HB2) 1.886 0.445 0.445 weight 1.000 ! spec=NOESY, no=26, id=23, vol=1.340000e+08
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HB2) 1.889 0.446 0.446 weight 1.000 ! spec=NOESY, no=27, id=24, vol=1.330000e+08
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name  HM1) 1.896 0.449 0.449 weight 1.000 ! spec=NOESY, no=28, id=25, vol=1.300000e+08
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HB2) 1.901 0.452 0.452 weight 1.000 ! spec=NOESY, no=29, id=26, vol=1.280000e+08
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name  HB1) 1.921 0.461 0.461 weight 1.000 ! spec=NOESY, no=30, id=27, vol=1.200000e+08
assign (segid "    " and resid   13 and name  HE1) (segid "    " and resid   13 and name  HD1) 1.927 0.464 0.464 weight 1.000 ! spec=NOESY, no=31, id=28, vol=1.180000e+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   12 and name  HB1) (segid "    " and resid   12 and name  HB2) 1.929 0.465 0.465 weight 1.000 ! spec=NOESY, no=32, id=29, vol=1.170000e+08
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HD2) 1.938 0.469 0.469 weight 1.000 ! spec=NOESY, no=33, id=30, vol=1.140000e+08
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HM1) 1.943 0.472 0.472 weight 1.000 ! spec=NOESY, no=34, id=31, vol=1.120000e+08
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HB1) 1.949 0.475 0.475 weight 1.000 ! spec=NOESY, no=35, id=32, vol=1.100000e+08
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HB1)
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   24 and name  HG2) 1.952 0.476 0.476 weight 1.000 ! spec=NOESY, no=36, id=33, vol=1.090000e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name  HB2) 1.961 0.481 0.481 weight 1.000 ! spec=NOESY, no=37, id=34, vol=1.060000e+08
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HB2) 1.961 0.481 0.481 weight 1.000 ! spec=NOESY, no=38, id=35, vol=1.060000e+08
assign (segid "    " and resid   20 and name HE21) (segid "    " and resid   20 and name HE22) 1.974 0.487 0.487 weight 1.000 ! spec=NOESY, no=39, id=36, vol=1.020000e+08
assign (segid "    " and resid    6 and name  HZ3) (segid "    " and resid    6 and name  HH2) 1.988 0.494 0.494 weight 1.000 ! spec=NOESY, no=41, id=37, vol=9.780000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HB1) 1.999 0.500 0.500 weight 1.000 ! spec=NOESY, no=42, id=38, vol=9.450000e+07
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name  HG1) 2.043 0.522 0.522 weight 1.000 ! spec=NOESY, no=43, id=39, vol=8.310000e+07
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   13 and name  HE1) 2.069 0.535 0.535 weight 1.000 ! spec=NOESY, no=45, id=41, vol=7.700000e+07
    or (segid "    " and resid   13 and name   HZ) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   30 and name  HD2) 2.101 0.552 0.552 weight 1.000 ! spec=NOESY, no=46, id=42, vol=7.020000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HB1) 2.108 0.555 0.555 weight 1.000 ! spec=NOESY, no=47, id=43, vol=6.880000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name  HM1) 2.112 0.558 0.558 weight 1.000 ! spec=NOESY, no=48, id=44, vol=6.800000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name  HM3)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   12 and name  HM1)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HM1) 2.116 0.559 0.559 weight 1.000 ! spec=NOESY, no=49, id=45, vol=6.730000e+07
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   17 and name  HA2) 2.132 0.568 0.568 weight 1.000 ! spec=NOESY, no=50, id=46, vol=6.430000e+07
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   23 and name  HD1) 2.136 0.570 0.570 weight 1.000 ! spec=NOESY, no=51, id=47, vol=6.360000e+07
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   23 and name  HD1)
assign (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG21) 2.137 0.571 0.571 weight 1.000 ! spec=NOESY, no=53, id=49, vol=6.340000e+07
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG22)
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG23)
assign (segid "    " and resid   21 and name  HA2) (segid "    " and resid   21 and name  HG2) 2.140 0.572 0.572 weight 1.000 ! spec=NOESY, no=54, id=50, vol=6.290000e+07
    or (segid "    " and resid   21 and name  HA1) (segid "    " and resid   21 and name  HG2)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD1) 2.144 0.574 0.574 weight 1.000 ! spec=NOESY, no=55, id=51, vol=6.220000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   16 and name   HA) 2.155 0.581 0.581 weight 1.000 ! spec=NOESY, no=56, id=52, vol=6.020000e+07
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name  HG2) 2.158 0.582 0.582 weight 1.000 ! spec=NOESY, no=57, id=53, vol=5.980000e+07
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name  HG1)
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HG2)
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HG1)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN) 2.158 0.582 0.582 weight 1.000 ! spec=NOESY, no=58, id=54, vol=5.970000e+07
assign (segid "    " and resid    6 and name  HZ3) (segid "    " and resid    6 and name  HE3) 2.159 0.583 0.583 weight 1.000 ! spec=NOESY, no=59, id=55, vol=5.960000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.161 0.584 0.584 weight 1.000 ! spec=NOESY, no=60, id=56, vol=5.920000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name  HD2) 2.175 0.591 0.591 weight 1.000 ! spec=NOESY, no=61, id=57, vol=5.700000e+07
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name   HN) 2.183 0.596 0.596 weight 1.000 ! spec=NOESY, no=63, id=59, vol=5.570000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD1) 2.187 0.598 0.598 weight 1.000 ! spec=NOESY, no=64, id=60, vol=5.520000e+07
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HG2) 2.193 0.601 0.601 weight 1.000 ! spec=NOESY, no=65, id=61, vol=5.430000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HG1)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HG2)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HG1)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HD1) 2.202 0.606 0.606 weight 1.000 ! spec=NOESY, no=66, id=62, vol=5.290000e+07
    or (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   10 and name   HN) 2.206 0.608 0.608 weight 1.000 ! spec=NOESY, no=67, id=63, vol=5.240000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HA2) 2.207 0.609 0.609 weight 1.000 ! spec=NOESY, no=68, id=64, vol=5.220000e+07
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HA1)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name  HG2) 2.208 0.609 0.609 weight 1.000 ! spec=NOESY, no=69, id=65, vol=5.210000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HD1) 2.219 0.615 0.615 weight 1.000 ! spec=NOESY, no=70, id=66, vol=5.060000e+07
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   30 and name  HE2) (segid "    " and resid   30 and name  HD2) 2.220 0.616 0.616 weight 1.000 ! spec=NOESY, no=71, id=67, vol=5.040000e+07
    or (segid "    " and resid   30 and name  HE1) (segid "    " and resid   30 and name  HD2)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HB) 2.225 0.619 0.619 weight 1.000 ! spec=NOESY, no=72, id=68, vol=4.980000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HM1) 2.227 0.620 0.620 weight 1.000 ! spec=NOESY, no=73, id=69, vol=4.950000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD2) 2.237 0.626 0.626 weight 1.000 ! spec=NOESY, no=74, id=70, vol=4.810000e+07
    or (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name HD12) 2.238 0.626 0.626 weight 1.000 ! spec=NOESY, no=75, id=71, vol=4.800000e+07
    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   23 and name  HB2) (segid "    " and resid   23 and name   HA) 2.246 0.631 0.631 weight 1.000 ! spec=NOESY, no=76, id=72, vol=4.700000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HA)
assign (segid "    " and resid    1 and name  HG2) (segid "    " and resid    1 and name  HD2) 2.251 0.633 0.633 weight 1.000 ! spec=NOESY, no=77, id=73, vol=4.640000e+07
    or (segid "    " and resid    1 and name  HG2) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HA) 2.251 0.633 0.633 weight 1.000 ! spec=NOESY, no=78, id=74, vol=4.640000e+07
assign (segid "    " and resid    8 and name  HA1) (segid "    " and resid    8 and name  HA2) 2.254 0.635 0.635 weight 1.000 ! spec=NOESY, no=80, id=76, vol=4.600000e+07
assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid   12 and name  HG2) 2.256 0.636 0.636 weight 1.000 ! spec=NOESY, no=81, id=77, vol=4.580000e+07
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   12 and name  HG1)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid   12 and name  HG2)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid   12 and name  HG1)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid   12 and name  HG2)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid   12 and name  HG1)
assign (segid "    " and resid   21 and name  HA2) (segid "    " and resid   21 and name   HB) 2.272 0.645 0.645 weight 1.000 ! spec=NOESY, no=82, id=78, vol=4.390000e+07
    or (segid "    " and resid   21 and name  HA1) (segid "    " and resid   21 and name   HB)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 2.275 0.647 0.647 weight 1.000 ! spec=NOESY, no=84, id=80, vol=4.350000e+07
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name  HG2) 2.278 0.649 0.649 weight 1.000 ! spec=NOESY, no=85, id=81, vol=4.320000e+07
assign (segid "    " and resid    7 and name HB22) (segid "    " and resid    8 and name   HN) 2.284 0.652 0.652 weight 1.000 ! spec=NOESY, no=86, id=82, vol=4.250000e+07
    or (segid "    " and resid    7 and name HB21) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    7 and name HB23) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   19 and name HD22) 2.288 0.654 0.654 weight 1.000 ! spec=NOESY, no=87, id=83, vol=4.210000e+07
    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   11 and name  HB2) (segid "    " and resid   11 and name   HN) 2.289 0.655 0.655 weight 1.000 ! spec=NOESY, no=88, id=84, vol=4.200000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   17 and name  HG2) 2.290 0.656 0.656 weight 1.000 ! spec=NOESY, no=90, id=86, vol=4.180000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB1) 2.298 0.660 0.660 weight 1.000 ! spec=NOESY, no=91, id=87, vol=4.100000e+07
assign (segid "    " and resid   27 and name HD21) (segid "    " and resid   27 and name   HG) 2.300 0.661 0.661 weight 1.000 ! spec=NOESY, no=92, id=88, vol=4.080000e+07
    or (segid "    " and resid   27 and name HD22) (segid "    " and resid   27 and name   HG)
    or (segid "    " and resid   27 and name HD23) (segid "    " and resid   27 and name   HG)
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   10 and name   HN) 2.303 0.663 0.663 weight 1.000 ! spec=NOESY, no=93, id=89, vol=4.040000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name HG21) 2.310 0.667 0.667 weight 1.000 ! spec=NOESY, no=94, id=90, vol=3.970000e+07
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name HG22)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name HG23)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HM1) 2.312 0.668 0.668 weight 1.000 ! spec=NOESY, no=95, id=91, vol=3.950000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid    7 and name HB12) (segid "    " and resid    7 and name HB22) 2.317 0.671 0.671 weight 1.000 ! spec=NOESY, no=96, id=92, vol=3.900000e+07
    or (segid "    " and resid    7 and name HB12) (segid "    " and resid    7 and name HB21)
    or (segid "    " and resid    7 and name HB12) (segid "    " and resid    7 and name HB23)
    or (segid "    " and resid    7 and name HB11) (segid "    " and resid    7 and name HB22)
    or (segid "    " and resid    7 and name HB11) (segid "    " and resid    7 and name HB21)
    or (segid "    " and resid    7 and name HB11) (segid "    " and resid    7 and name HB23)
    or (segid "    " and resid    7 and name HB13) (segid "    " and resid    7 and name HB22)
    or (segid "    " and resid    7 and name HB13) (segid "    " and resid    7 and name HB21)
    or (segid "    " and resid    7 and name HB13) (segid "    " and resid    7 and name HB23)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HA) 2.320 0.673 0.673 weight 1.000 ! spec=NOESY, no=97, id=93, vol=3.870000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HG2) 2.322 0.674 0.674 weight 1.000 ! spec=NOESY, no=99, id=95, vol=3.850000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HG1)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name   HA) 2.323 0.675 0.675 weight 1.000 ! spec=NOESY, no=100, id=96, vol=3.840000e+07
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name   HA)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD22) 2.325 0.676 0.676 weight 1.000 ! spec=NOESY, no=101, id=97, vol=3.820000e+07
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   25 and name   HN) 2.326 0.676 0.676 weight 1.000 ! spec=NOESY, no=102, id=98, vol=3.810000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.332 0.680 0.680 weight 1.000 ! spec=NOESY, no=103, id=99, vol=3.750000e+07
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HB) 2.332 0.680 0.680 weight 1.000 ! spec=NOESY, no=104, id=100, vol=3.750000e+07
    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    6 and name  HB2) (segid "    " and resid    6 and name   HN) 2.339 0.684 0.684 weight 1.000 ! spec=NOESY, no=105, id=101, vol=3.690000e+07
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HD2) 2.345 0.687 0.687 weight 1.000 ! spec=NOESY, no=106, id=102, vol=3.630000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HG) 2.357 0.694 0.694 weight 1.000 ! spec=NOESY, no=107, id=103, vol=3.520000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB2) 2.361 0.697 0.697 weight 1.000 ! spec=NOESY, no=108, id=104, vol=3.480000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid    3 and name   HA) 2.366 0.700 0.700 weight 1.000 ! spec=NOESY, no=109, id=105, vol=3.440000e+07
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid    6 and name  HE1) 2.371 0.702 0.702 weight 1.000 ! spec=NOESY, no=110, id=106, vol=3.400000e+07
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HB1) 2.373 0.704 0.704 weight 1.000 ! spec=NOESY, no=111, id=107, vol=3.380000e+07
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HE2) 2.374 0.705 0.705 weight 1.000 ! spec=NOESY, no=112, id=108, vol=3.370000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name   HA) 2.385 0.711 0.711 weight 1.000 ! spec=NOESY, no=113, id=109, vol=3.280000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HG) 2.387 0.712 0.712 weight 1.000 ! spec=NOESY, no=114, id=110, vol=3.260000e+07
assign (segid "    " and resid   27 and name  HA1) (segid "    " and resid   27 and name   HB) 2.389 0.713 0.713 weight 1.000 ! spec=NOESY, no=115, id=111, vol=3.250000e+07
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   24 and name  HG1) 2.398 0.719 0.719 weight 1.000 ! spec=NOESY, no=116, id=112, vol=3.170000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1) 2.402 0.721 0.721 weight 1.000 ! spec=NOESY, no=117, id=113, vol=3.140000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB1) 2.407 0.724 0.724 weight 1.000 ! spec=NOESY, no=118, id=114, vol=3.100000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.410 0.726 0.726 weight 1.000 ! spec=NOESY, no=119, id=115, vol=3.080000e+07
assign (segid "    " and resid   21 and name  HA2) (segid "    " and resid   21 and name  HG1) 2.410 0.726 0.726 weight 1.000 ! spec=NOESY, no=120, id=116, vol=3.080000e+07
    or (segid "    " and resid   21 and name  HA1) (segid "    " and resid   21 and name  HG1)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HG2) 2.411 0.727 0.727 weight 1.000 ! spec=NOESY, no=121, id=117, vol=3.070000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HG1)
assign (segid "    " and resid    3 and name  HM1) (segid "    " and resid    2 and name  HB2) 2.417 0.730 0.730 weight 1.000 ! spec=NOESY, no=122, id=118, vol=3.030000e+07
    or (segid "    " and resid    3 and name  HM2) (segid "    " and resid    2 and name  HB2)
    or (segid "    " and resid    3 and name  HM3) (segid "    " and resid    2 and name  HB2)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid   22 and name  HD2) 2.417 0.730 0.730 weight 1.000 ! spec=NOESY, no=123, id=119, vol=3.030000e+07
assign (segid "    " and resid   14 and name HG21) (segid "    " and resid   15 and name  HG2) 2.421 0.732 0.732 weight 1.000 ! spec=NOESY, no=124, id=120, vol=3.000000e+07
    or (segid "    " and resid   14 and name HG21) (segid "    " and resid   15 and name  HG1)
    or (segid "    " and resid   14 and name HG22) (segid "    " and resid   15 and name  HG2)
    or (segid "    " and resid   14 and name HG22) (segid "    " and resid   15 and name  HG1)
    or (segid "    " and resid   14 and name HG23) (segid "    " and resid   15 and name  HG2)
    or (segid "    " and resid   14 and name HG23) (segid "    " and resid   15 and name  HG1)
assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   27 and name HD21) 2.425 0.735 0.735 weight 1.000 ! spec=NOESY, no=125, id=121, vol=2.970000e+07
    or (segid "    " and resid   27 and name   HB) (segid "    " and resid   27 and name HD22)
    or (segid "    " and resid   27 and name   HB) (segid "    " and resid   27 and name HD23)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HN) 2.425 0.735 0.735 weight 1.000 ! spec=NOESY, no=126, id=122, vol=2.970000e+07
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name  HG2) 2.437 0.742 0.742 weight 1.000 ! spec=NOESY, no=129, id=125, vol=2.880000e+07
    or (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name  HG1)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN) 2.439 0.743 0.743 weight 1.000 ! spec=NOESY, no=130, id=126, vol=2.870000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid   13 and name  HE1) 2.444 0.747 0.747 weight 1.000 ! spec=NOESY, no=131, id=127, vol=2.830000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HA) 2.447 0.749 0.749 weight 1.000 ! spec=NOESY, no=132, id=128, vol=2.810000e+07
    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   21 and name  HE2) (segid "    " and resid   21 and name  HG1) 2.449 0.749 0.749 weight 1.000 ! spec=NOESY, no=133, id=129, vol=2.800000e+07
    or (segid "    " and resid   21 and name  HE1) (segid "    " and resid   21 and name  HG1)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.450 0.750 0.750 weight 1.000 ! spec=NOESY, no=134, id=130, vol=2.790000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB2) 2.450 0.750 0.750 weight 1.000 ! spec=NOESY, no=135, id=131, vol=2.790000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HA2) 2.452 0.751 0.751 weight 1.000 ! spec=NOESY, no=136, id=132, vol=2.780000e+07
    or (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HA1)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HG2) 2.453 0.752 0.752 weight 1.000 ! spec=NOESY, no=137, id=133, vol=2.770000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HG1)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HG2)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HG1)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 2.454 0.753 0.753 weight 1.000 ! spec=NOESY, no=138, id=134, vol=2.760000e+07
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name  HB2) 2.454 0.753 0.753 weight 1.000 ! spec=NOESY, no=139, id=135, vol=2.760000e+07
    or (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HB2)
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN) 2.456 0.754 0.754 weight 1.000 ! spec=NOESY, no=140, id=136, vol=2.750000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   13 and name  HE1) 2.463 0.759 0.759 weight 1.000 ! spec=NOESY, no=142, id=138, vol=2.700000e+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    2 and name   HA) (segid "    " and resid    2 and name  HD1) 2.465 0.760 0.760 weight 1.000 ! spec=NOESY, no=143, id=139, vol=2.690000e+07
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   19 and name HD22) 2.467 0.760 0.760 weight 1.000 ! spec=NOESY, no=144, id=140, vol=2.680000e+07
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   19 and name HD23)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   19 and name HD22)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.471 0.763 0.763 weight 1.000 ! spec=NOESY, no=145, id=141, vol=2.650000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid   19 and name HD22) 2.473 0.764 0.764 weight 1.000 ! spec=NOESY, no=146, id=142, vol=2.640000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD12) 2.473 0.764 0.764 weight 1.000 ! spec=NOESY, no=147, id=143, vol=2.640000e+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    6 and name  HB1) (segid "    " and resid    6 and name   HN) 2.476 0.766 0.766 weight 1.000 ! spec=NOESY, no=148, id=144, vol=2.620000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HE2) 2.479 0.768 0.768 weight 1.000 ! spec=NOESY, no=149, id=145, vol=2.600000e+07
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name  HD2) 2.481 0.769 0.769 weight 1.000 ! spec=NOESY, no=150, id=146, vol=2.590000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   26 and name  HE1) 2.484 0.771 0.771 weight 1.000 ! spec=NOESY, no=152, id=148, vol=2.570000e+07
assign (segid "    " and resid   27 and name  HA2) (segid "    " and resid   28 and name   HN) 2.485 0.772 0.772 weight 1.000 ! spec=NOESY, no=153, id=149, vol=2.560000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG2) 2.489 0.774 0.774 weight 1.000 ! spec=NOESY, no=154, id=150, vol=2.540000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG1)
assign (segid "    " and resid   24 and name  HE2) (segid "    " and resid   24 and name  HD2) 2.489 0.774 0.774 weight 1.000 ! spec=NOESY, no=155, id=151, vol=2.540000e+07
    or (segid "    " and resid   24 and name  HE2) (segid "    " and resid   24 and name  HD1)
    or (segid "    " and resid   24 and name  HE1) (segid "    " and resid   24 and name  HD2)
    or (segid "    " and resid   24 and name  HE1) (segid "    " and resid   24 and name  HD1)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    2 and name  HE1) 2.492 0.776 0.776 weight 1.000 ! spec=NOESY, no=156, id=152, vol=2.520000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    2 and name  HE2)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB1) 2.495 0.778 0.778 weight 1.000 ! spec=NOESY, no=157, id=153, vol=2.500000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.497 0.779 0.779 weight 1.000 ! spec=NOESY, no=158, id=154, vol=2.490000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   19 and name HD22) 2.499 0.780 0.780 weight 1.000 ! spec=NOESY, no=159, id=155, vol=2.480000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name   HA) 2.499 0.780 0.780 weight 1.000 ! spec=NOESY, no=160, id=156, vol=2.480000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   20 and name   HA)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HB2) 2.502 0.782 0.782 weight 1.000 ! spec=NOESY, no=162, id=158, vol=2.460000e+07
assign (segid "    " and resid   28 and name  HA2) (segid "    " and resid   28 and name   HN) 2.502 0.782 0.782 weight 1.000 ! spec=NOESY, no=163, id=159, vol=2.460000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HG2) 2.502 0.782 0.782 weight 1.000 ! spec=NOESY, no=164, id=160, vol=2.460000e+07
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HG1)
assign (segid "    " and resid   27 and name  HA2) (segid "    " and resid   27 and name   HB) 2.512 0.789 0.789 weight 1.000 ! spec=NOESY, no=165, id=161, vol=2.400000e+07
assign (segid "    " and resid   27 and name   HG) (segid "    " and resid   27 and name   HB) 2.514 0.790 0.790 weight 1.000 ! spec=NOESY, no=167, id=163, vol=2.390000e+07
assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   24 and name   HB) 2.514 0.790 0.790 weight 1.000 ! spec=NOESY, no=168, id=164, vol=2.390000e+07
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name   HA) 2.516 0.791 0.791 weight 1.000 ! spec=NOESY, no=169, id=165, vol=2.380000e+07
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name  HG1) 2.516 0.791 0.791 weight 1.000 ! spec=NOESY, no=170, id=166, vol=2.380000e+07
assign (segid "    " and resid   21 and name  HE2) (segid "    " and resid   21 and name  HG2) 2.516 0.791 0.791 weight 1.000 ! spec=NOESY, no=171, id=167, vol=2.380000e+07
    or (segid "    " and resid   21 and name  HE1) (segid "    " and resid   21 and name  HG2)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HG2) 2.519 0.793 0.793 weight 1.000 ! spec=NOESY, no=172, id=168, vol=2.360000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HG1)
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name   HN) 2.523 0.796 0.796 weight 1.000 ! spec=NOESY, no=173, id=169, vol=2.340000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   16 and name   HA) 2.525 0.797 0.797 weight 1.000 ! spec=NOESY, no=174, id=170, vol=2.330000e+07
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   13 and name   HN) 2.528 0.799 0.799 weight 1.000 ! spec=NOESY, no=175, id=171, vol=2.310000e+07
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   19 and name HD22) 2.528 0.799 0.799 weight 1.000 ! spec=NOESY, no=176, id=172, vol=2.310000e+07
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid    7 and name HB12) (segid "    " and resid    7 and name   HN) 2.530 0.800 0.800 weight 1.000 ! spec=NOESY, no=177, id=173, vol=2.300000e+07
    or (segid "    " and resid    7 and name HB11) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name HB13) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HN) 2.532 0.801 0.801 weight 1.000 ! spec=NOESY, no=178, id=174, vol=2.290000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.539 0.806 0.806 weight 1.000 ! spec=NOESY, no=179, id=175, vol=2.250000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HA) 2.539 0.806 0.806 weight 1.000 ! spec=NOESY, no=180, id=176, vol=2.250000e+07
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=NOESY, no=181, id=177, vol=2.240000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HG2) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=182, id=178, vol=2.210000e+07
assign (segid "    " and resid   14 and name HG21) (segid "    " and resid   14 and name   HA) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=183, id=179, vol=2.210000e+07
    or (segid "    " and resid   14 and name HG22) (segid "    " and resid   14 and name   HA)
    or (segid "    " and resid   14 and name HG23) (segid "    " and resid   14 and name   HA)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HB) 2.549 0.812 0.812 weight 1.000 ! spec=NOESY, no=184, id=180, vol=2.200000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HD1) 2.549 0.812 0.812 weight 1.000 ! spec=NOESY, no=185, id=181, vol=2.200000e+07
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.553 0.815 0.815 weight 1.000 ! spec=NOESY, no=186, id=182, vol=2.180000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD2) 2.555 0.816 0.816 weight 1.000 ! spec=NOESY, no=187, id=183, vol=2.170000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name   HN) 2.559 0.818 0.818 weight 1.000 ! spec=NOESY, no=189, id=185, vol=2.150000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HD2) 2.561 0.820 0.820 weight 1.000 ! spec=NOESY, no=191, id=187, vol=2.140000e+07
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   13 and name  HD1) 2.561 0.820 0.820 weight 1.000 ! spec=NOESY, no=192, id=188, vol=2.140000e+07
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   10 and name   HN) 2.561 0.820 0.820 weight 1.000 ! spec=NOESY, no=193, id=189, vol=2.140000e+07
assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   27 and name   HN) 2.563 0.821 0.821 weight 1.000 ! spec=NOESY, no=194, id=190, vol=2.130000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HD2) 2.567 0.824 0.824 weight 1.000 ! spec=NOESY, no=195, id=191, vol=2.110000e+07
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HD1)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HD2)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   17 and name   HN) 2.569 0.825 0.825 weight 1.000 ! spec=NOESY, no=196, id=192, vol=2.100000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HN) 2.575 0.829 0.829 weight 1.000 ! spec=NOESY, no=197, id=193, vol=2.070000e+07
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name  HD2) 2.577 0.830 0.830 weight 1.000 ! spec=NOESY, no=198, id=194, vol=2.060000e+07
    or (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HD2)
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HA2) 2.577 0.830 0.830 weight 1.000 ! spec=NOESY, no=199, id=195, vol=2.060000e+07
assign (segid "    " and resid   14 and name HG21) (segid "    " and resid   14 and name   HB) 2.579 0.832 0.832 weight 1.000 ! spec=NOESY, no=201, id=197, vol=2.050000e+07
    or (segid "    " and resid   14 and name HG22) (segid "    " and resid   14 and name   HB)
    or (segid "    " and resid   14 and name HG23) (segid "    " and resid   14 and name   HB)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB2) 2.581 0.833 0.833 weight 1.000 ! spec=NOESY, no=202, id=198, vol=2.040000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HA) 2.581 0.833 0.833 weight 1.000 ! spec=NOESY, no=203, id=199, vol=2.040000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    6 and name  HB1) 2.583 0.834 0.834 weight 1.000 ! spec=NOESY, no=204, id=200, vol=2.030000e+07
assign (segid "    " and resid   27 and name  HA2) (segid "    " and resid   27 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=NOESY, no=205, id=201, vol=2.020000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   20 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=NOESY, no=206, id=202, vol=2.020000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name   HN) 2.594 0.841 0.841 weight 1.000 ! spec=NOESY, no=209, id=205, vol=1.980000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB1) 2.596 0.843 0.843 weight 1.000 ! spec=NOESY, no=211, id=207, vol=1.970000e+07
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   24 and name  HD2) 2.596 0.843 0.843 weight 1.000 ! spec=NOESY, no=212, id=208, vol=1.970000e+07
    or (segid "    " and resid   24 and name  HA2) (segid "    " and resid   24 and name  HD1)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.599 0.844 0.844 weight 1.000 ! spec=NOESY, no=213, id=209, vol=1.960000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1) 2.601 0.846 0.846 weight 1.000 ! spec=NOESY, no=214, id=210, vol=1.950000e+07
assign (segid "    " and resid    7 and name HB22) (segid "    " and resid    7 and name   HN) 2.605 0.848 0.848 weight 1.000 ! spec=NOESY, no=215, id=211, vol=1.930000e+07
    or (segid "    " and resid    7 and name HB21) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name HB23) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.605 0.848 0.848 weight 1.000 ! spec=NOESY, no=216, id=212, vol=1.930000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HN) 2.608 0.850 0.850 weight 1.000 ! spec=NOESY, no=218, id=214, vol=1.920000e+07
    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   19 and name   HA) (segid "    " and resid   19 and name   HN) 2.608 0.850 0.850 weight 1.000 ! spec=NOESY, no=219, id=215, vol=1.920000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 2.610 0.851 0.851 weight 1.000 ! spec=NOESY, no=220, id=216, vol=1.910000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name   HN) 2.610 0.851 0.851 weight 1.000 ! spec=NOESY, no=221, id=217, vol=1.910000e+07
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid    2 and name  HB2) 2.614 0.854 0.854 weight 1.000 ! spec=NOESY, no=222, id=218, vol=1.890000e+07
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HN) 2.617 0.856 0.856 weight 1.000 ! spec=NOESY, no=223, id=219, vol=1.880000e+07
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name  HD2) 2.617 0.856 0.856 weight 1.000 ! spec=NOESY, no=224, id=220, vol=1.880000e+07
    or (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name  HD1)
assign (segid "    " and resid    6 and name  HE3) (segid "    " and resid    6 and name  HB2) 2.617 0.856 0.856 weight 1.000 ! spec=NOESY, no=225, id=221, vol=1.880000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HB1) 2.624 0.860 0.860 weight 1.000 ! spec=NOESY, no=226, id=222, vol=1.850000e+07
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   20 and name  HB2) 2.628 0.864 0.864 weight 1.000 ! spec=NOESY, no=228, id=224, vol=1.830000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name   HA) 2.628 0.864 0.864 weight 1.000 ! spec=NOESY, no=229, id=225, vol=1.830000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HD2) 2.628 0.864 0.864 weight 1.000 ! spec=NOESY, no=230, id=226, vol=1.830000e+07
    or (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HD1)
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   24 and name   HN) 2.628 0.864 0.864 weight 1.000 ! spec=NOESY, no=231, id=227, vol=1.830000e+07
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name   HA) 2.628 0.864 0.864 weight 1.000 ! spec=NOESY, no=232, id=228, vol=1.830000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HB1) 2.631 0.865 0.865 weight 1.000 ! spec=NOESY, no=233, id=229, vol=1.820000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name   HN) 2.633 0.867 0.867 weight 1.000 ! spec=NOESY, no=234, id=230, vol=1.810000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB1) 2.633 0.867 0.867 weight 1.000 ! spec=NOESY, no=235, id=231, vol=1.810000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   11 and name   HN) 2.638 0.870 0.870 weight 1.000 ! spec=NOESY, no=236, id=232, vol=1.790000e+07
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name  HD1) 2.641 0.872 0.872 weight 1.000 ! spec=NOESY, no=237, id=233, vol=1.780000e+07
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name  HG1) 2.643 0.873 0.873 weight 1.000 ! spec=NOESY, no=238, id=234, vol=1.770000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.643 0.873 0.873 weight 1.000 ! spec=NOESY, no=239, id=235, vol=1.770000e+07
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   20 and name  HB1) 2.646 0.875 0.875 weight 1.000 ! spec=NOESY, no=240, id=236, vol=1.760000e+07
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   25 and name   HN) 2.651 0.878 0.878 weight 1.000 ! spec=NOESY, no=241, id=237, vol=1.740000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=NOESY, no=242, id=238, vol=1.730000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HG1) 2.653 0.880 0.880 weight 1.000 ! spec=NOESY, no=243, id=239, vol=1.730000e+07
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   24 and name   HB) 2.656 0.882 0.882 weight 1.000 ! spec=NOESY, no=244, id=240, vol=1.720000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HA) 2.656 0.882 0.882 weight 1.000 ! spec=NOESY, no=245, id=241, vol=1.720000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HA) 2.658 0.883 0.883 weight 1.000 ! spec=NOESY, no=246, id=242, vol=1.710000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HD1) 2.661 0.885 0.885 weight 1.000 ! spec=NOESY, no=249, id=245, vol=1.700000e+07
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB2) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=250, id=246, vol=1.690000e+07
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name   HN) 2.666 0.889 0.889 weight 1.000 ! spec=NOESY, no=252, id=248, vol=1.680000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.669 0.890 0.890 weight 1.000 ! spec=NOESY, no=253, id=249, vol=1.670000e+07
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    3 and name  HM1) 2.672 0.892 0.892 weight 1.000 ! spec=NOESY, no=254, id=250, vol=1.660000e+07
    or (segid "    " and resid    2 and name  HD1) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    2 and name  HD1) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid    2 and name  HD2) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid    2 and name  HD2) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    2 and name  HD2) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name   HN) 2.674 0.894 0.894 weight 1.000 ! spec=NOESY, no=255, id=251, vol=1.650000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.674 0.894 0.894 weight 1.000 ! spec=NOESY, no=256, id=252, vol=1.650000e+07
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name   HN) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=257, id=253, vol=1.630000e+07
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=259, id=255, vol=1.630000e+07
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HN) 2.682 0.899 0.899 weight 1.000 ! spec=NOESY, no=260, id=256, vol=1.620000e+07
assign (segid "    " and resid    7 and name HB12) (segid "    " and resid    6 and name  HD1) 2.682 0.899 0.899 weight 1.000 ! spec=NOESY, no=261, id=257, vol=1.620000e+07
    or (segid "    " and resid    7 and name HB11) (segid "    " and resid    6 and name  HD1)
    or (segid "    " and resid    7 and name HB13) (segid "    " and resid    6 and name  HD1)
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   24 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=NOESY, no=263, id=259, vol=1.610000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name HD12) 2.688 0.903 0.903 weight 1.000 ! spec=NOESY, no=264, id=260, vol=1.600000e+07
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   18 and name   HA) 2.688 0.903 0.903 weight 1.000 ! spec=NOESY, no=266, id=262, vol=1.600000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   17 and name   HN) 2.691 0.905 0.905 weight 1.000 ! spec=NOESY, no=267, id=263, vol=1.590000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HN) 2.691 0.905 0.905 weight 1.000 ! spec=NOESY, no=268, id=264, vol=1.590000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HA1) 2.696 0.909 0.909 weight 1.000 ! spec=NOESY, no=269, id=265, vol=1.570000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   10 and name   HN) 2.696 0.909 0.909 weight 1.000 ! spec=NOESY, no=270, id=266, vol=1.570000e+07
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   26 and name  HD2) 2.705 0.915 0.915 weight 1.000 ! spec=NOESY, no=272, id=268, vol=1.540000e+07
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name   HN) 2.708 0.917 0.917 weight 1.000 ! spec=NOESY, no=273, id=269, vol=1.530000e+07
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HA) 2.708 0.917 0.917 weight 1.000 ! spec=NOESY, no=274, id=270, vol=1.530000e+07
assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name  HB1) 2.711 0.919 0.919 weight 1.000 ! spec=NOESY, no=276, id=272, vol=1.520000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid    3 and name   HA) 2.714 0.921 0.921 weight 1.000 ! spec=NOESY, no=277, id=273, vol=1.510000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   17 and name  HA1) 2.714 0.921 0.921 weight 1.000 ! spec=NOESY, no=278, id=274, vol=1.510000e+07
assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   25 and name   HN) 2.717 0.923 0.923 weight 1.000 ! spec=NOESY, no=279, id=275, vol=1.500000e+07
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   18 and name   HN) 2.723 0.927 0.927 weight 1.000 ! spec=NOESY, no=280, id=276, vol=1.480000e+07
assign (segid "    " and resid   27 and name  HA2) (segid "    " and resid   27 and name   HG) 2.723 0.927 0.927 weight 1.000 ! spec=NOESY, no=281, id=277, vol=1.480000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   13 and name   HZ) 2.723 0.927 0.927 weight 1.000 ! spec=NOESY, no=282, id=278, vol=1.480000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name   HZ)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HG1) 2.729 0.931 0.931 weight 1.000 ! spec=NOESY, no=283, id=279, vol=1.460000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name  HB1) 2.732 0.933 0.933 weight 1.000 ! spec=NOESY, no=284, id=280, vol=1.450000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HB1) 2.732 0.933 0.933 weight 1.000 ! spec=NOESY, no=285, id=281, vol=1.450000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HA) 2.736 0.935 0.935 weight 1.000 ! spec=NOESY, no=287, id=282, vol=1.440000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.739 0.938 0.938 weight 1.000 ! spec=NOESY, no=288, id=283, vol=1.430000e+07
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   18 and name  HB2) 2.739 0.938 0.938 weight 1.000 ! spec=NOESY, no=289, id=284, vol=1.430000e+07
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HE2) 2.739 0.938 0.938 weight 1.000 ! spec=NOESY, no=290, id=285, vol=1.430000e+07
    or (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HE3)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HE3)
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HM1) 2.742 0.940 0.940 weight 1.000 ! spec=NOESY, no=291, id=286, vol=1.420000e+07
    or (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   13 and name   HZ) 2.742 0.940 0.940 weight 1.000 ! spec=NOESY, no=292, id=287, vol=1.420000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   13 and name  HB2) 2.742 0.940 0.940 weight 1.000 ! spec=NOESY, no=293, id=288, vol=1.420000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HA) 2.748 0.944 0.944 weight 1.000 ! spec=NOESY, no=295, id=290, vol=1.400000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.748 0.944 0.944 weight 1.000 ! spec=NOESY, no=296, id=291, vol=1.400000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid   16 and name   HA) 2.762 0.953 0.953 weight 1.000 ! spec=NOESY, no=297, id=292, vol=1.360000e+07
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   16 and name   HA)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   16 and name   HA)
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HN) 2.762 0.953 0.953 weight 1.000 ! spec=NOESY, no=298, id=293, vol=1.360000e+07
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   24 and name   HN) 2.762 0.953 0.953 weight 1.000 ! spec=NOESY, no=299, id=294, vol=1.360000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   10 and name  HA1) 2.765 0.956 0.956 weight 1.000 ! spec=NOESY, no=300, id=295, vol=1.350000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HG2) 2.765 0.956 0.956 weight 1.000 ! spec=NOESY, no=301, id=296, vol=1.350000e+07
assign (segid "    " and resid    6 and name  HZ2) (segid "    " and resid    6 and name  HE1) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=302, id=297, vol=1.340000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=303, id=298, vol=1.340000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HB2) 2.772 0.961 0.961 weight 1.000 ! spec=NOESY, no=304, id=299, vol=1.330000e+07
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   22 and name  HD2) 2.776 0.963 0.963 weight 1.000 ! spec=NOESY, no=305, id=300, vol=1.320000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.776 0.963 0.963 weight 1.000 ! spec=NOESY, no=306, id=301, vol=1.320000e+07
assign (segid "    " and resid   27 and name  HA1) (segid "    " and resid   28 and name   HN) 2.776 0.963 0.963 weight 1.000 ! spec=NOESY, no=307, id=302, vol=1.320000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name   HN) 2.783 0.968 0.968 weight 1.000 ! spec=NOESY, no=310, id=305, vol=1.300000e+07
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name   HN) 2.783 0.968 0.968 weight 1.000 ! spec=NOESY, no=311, id=306, vol=1.300000e+07
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   27 and name   HG) 2.783 0.968 0.968 weight 1.000 ! spec=NOESY, no=312, id=307, vol=1.300000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    6 and name  HB1) 2.790 0.973 0.973 weight 1.000 ! spec=NOESY, no=313, id=308, vol=1.280000e+07
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA) 2.793 0.975 0.975 weight 1.000 ! spec=NOESY, no=315, id=310, vol=1.270000e+07
assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HD2) 2.793 0.975 0.975 weight 1.000 ! spec=NOESY, no=316, id=311, vol=1.270000e+07
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid    3 and name  HD1)
assign (segid "    " and resid   13 and name  HE1) (segid "    " and resid   19 and name HD22) 2.797 0.978 0.978 weight 1.000 ! spec=NOESY, no=317, id=312, vol=1.260000e+07
    or (segid "    " and resid   13 and name  HE1) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   13 and name  HE1) (segid "    " and resid   19 and name HD23)
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid   19 and name HD22)
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid   14 and name   HA) 2.805 0.983 0.983 weight 1.000 ! spec=NOESY, no=318, id=313, vol=1.240000e+07
assign (segid "    " and resid    3 and name  HM1) (segid "    " and resid    2 and name  HB1) 2.805 0.983 0.983 weight 1.000 ! spec=NOESY, no=319, id=314, vol=1.240000e+07
    or (segid "    " and resid    3 and name  HM2) (segid "    " and resid    2 and name  HB1)
    or (segid "    " and resid    3 and name  HM3) (segid "    " and resid    2 and name  HB1)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HM1) 2.805 0.983 0.983 weight 1.000 ! spec=NOESY, no=320, id=315, vol=1.240000e+07
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   20 and name   HN) 2.808 0.986 0.986 weight 1.000 ! spec=NOESY, no=321, id=316, vol=1.230000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid    4 and name  HB2) 2.808 0.986 0.986 weight 1.000 ! spec=NOESY, no=322, id=317, vol=1.230000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid    4 and name  HB2)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HD1) 2.808 0.986 0.986 weight 1.000 ! spec=NOESY, no=323, id=318, vol=1.230000e+07
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name  HB2) 2.812 0.989 0.989 weight 1.000 ! spec=NOESY, no=324, id=319, vol=1.220000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    2 and name  HD1) 2.816 0.991 0.991 weight 1.000 ! spec=NOESY, no=325, id=320, vol=1.210000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name   HN) 2.816 0.991 0.991 weight 1.000 ! spec=NOESY, no=326, id=321, vol=1.210000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   13 and name  HB2) 2.820 0.994 0.994 weight 1.000 ! spec=NOESY, no=327, id=322, vol=1.200000e+07
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   24 and name  HG1) 2.820 0.994 0.994 weight 1.000 ! spec=NOESY, no=328, id=323, vol=1.200000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   13 and name  HE1) 2.824 0.997 0.997 weight 1.000 ! spec=NOESY, no=329, id=324, vol=1.190000e+07
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HA) 2.824 0.997 0.997 weight 1.000 ! spec=NOESY, no=330, id=325, vol=1.190000e+07
assign (segid "    " and resid   13 and name  HE1) (segid "    " and resid   22 and name  HD2) 2.824 0.997 0.997 weight 1.000 ! spec=NOESY, no=331, id=326, vol=1.190000e+07
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   23 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=NOESY, no=332, id=327, vol=1.180000e+07
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   23 and name   HA)
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   27 and name   HN) 2.828 1.000 1.000 weight 1.000 ! spec=NOESY, no=333, id=328, vol=1.180000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name  HB2) 2.832 1.002 1.002 weight 1.000 ! spec=NOESY, no=334, id=329, vol=1.170000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HG1) 2.840 1.008 1.008 weight 1.000 ! spec=NOESY, no=337, id=332, vol=1.150000e+07
assign (segid "    " and resid   23 and name  HE2) (segid "    " and resid   23 and name  HD2) 2.840 1.008 1.008 weight 1.000 ! spec=NOESY, no=338, id=333, vol=1.150000e+07
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HG2) 2.840 1.008 1.008 weight 1.000 ! spec=NOESY, no=339, id=334, vol=1.150000e+07
    or (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HG1)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid    3 and name  HM1) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=341, id=336, vol=1.140000e+07
    or (segid "    " and resid   19 and name HD12) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid   19 and name HD12) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   13 and name  HD1) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=342, id=337, vol=1.140000e+07
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name  HG2) 2.848 1.014 1.014 weight 1.000 ! spec=NOESY, no=343, id=338, vol=1.130000e+07
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name  HG1)
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   17 and name  HG1) 2.848 1.014 1.014 weight 1.000 ! spec=NOESY, no=344, id=339, vol=1.130000e+07
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HD2) 2.861 1.023 1.023 weight 1.000 ! spec=NOESY, no=345, id=340, vol=1.100000e+07
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HD1)
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HN) 2.861 1.023 1.023 weight 1.000 ! spec=NOESY, no=346, id=341, vol=1.100000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   16 and name   HN) 2.861 1.023 1.023 weight 1.000 ! spec=NOESY, no=347, id=342, vol=1.100000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name HD22) 2.861 1.023 1.023 weight 1.000 ! spec=NOESY, no=348, id=343, vol=1.100000e+07
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   17 and name   HN) 2.861 1.023 1.023 weight 1.000 ! spec=NOESY, no=350, id=345, vol=1.100000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HM1) 2.870 1.030 1.030 weight 1.000 ! spec=NOESY, no=352, id=347, vol=1.080000e+07
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HG2) 2.870 1.030 1.030 weight 1.000 ! spec=NOESY, no=353, id=348, vol=1.080000e+07
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HG1)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   13 and name  HE1) 2.874 1.033 1.033 weight 1.000 ! spec=NOESY, no=354, id=349, vol=1.070000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB1) 2.874 1.033 1.033 weight 1.000 ! spec=NOESY, no=355, id=350, vol=1.070000e+07
assign (segid "    " and resid   28 and name  HA2) (segid "    " and resid   29 and name   HN) 2.879 1.036 1.036 weight 1.000 ! spec=NOESY, no=357, id=352, vol=1.060000e+07
assign (segid "    " and resid   27 and name  HA1) (segid "    " and resid   27 and name HD21) 2.879 1.036 1.036 weight 1.000 ! spec=NOESY, no=359, id=354, vol=1.060000e+07
    or (segid "    " and resid   27 and name  HA1) (segid "    " and resid   27 and name HD22)
    or (segid "    " and resid   27 and name  HA1) (segid "    " and resid   27 and name HD23)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   22 and name  HD2) 2.888 1.043 1.043 weight 1.000 ! spec=NOESY, no=362, id=357, vol=1.040000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HA1) 2.888 1.043 1.043 weight 1.000 ! spec=NOESY, no=363, id=358, vol=1.040000e+07
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   26 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=NOESY, no=364, id=359, vol=1.030000e+07
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    6 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=NOESY, no=365, id=360, vol=1.030000e+07
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   23 and name  HD2) 2.893 1.046 1.046 weight 1.000 ! spec=NOESY, no=367, id=362, vol=1.030000e+07
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HM1) 2.893 1.046 1.046 weight 1.000 ! spec=NOESY, no=368, id=363, vol=1.030000e+07
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HM3)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HM1)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD2) 2.893 1.046 1.046 weight 1.000 ! spec=NOESY, no=369, id=364, vol=1.030000e+07
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD1)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid    2 and name  HD1) 2.897 1.049 1.049 weight 1.000 ! spec=NOESY, no=370, id=365, vol=1.020000e+07
    or (segid "    " and resid   19 and name HD12) (segid "    " and resid    2 and name  HD2)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid    2 and name  HD1)
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid    2 and name  HD2)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid    2 and name  HD1)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   13 and name  HB2) 2.897 1.049 1.049 weight 1.000 ! spec=NOESY, no=372, id=367, vol=1.020000e+07
assign (segid "    " and resid   27 and name  HA2) (segid "    " and resid   27 and name HD21) 2.897 1.049 1.049 weight 1.000 ! spec=NOESY, no=373, id=368, vol=1.020000e+07
    or (segid "    " and resid   27 and name  HA2) (segid "    " and resid   27 and name HD22)
    or (segid "    " and resid   27 and name  HA2) (segid "    " and resid   27 and name HD23)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HE3) 2.902 1.053 1.053 weight 1.000 ! spec=NOESY, no=374, id=369, vol=1.010000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.902 1.053 1.053 weight 1.000 ! spec=NOESY, no=375, id=370, vol=1.010000e+07
assign (segid "    " and resid    7 and name HB12) (segid "    " and resid    8 and name   HN) 2.907 1.056 1.056 weight 1.000 ! spec=NOESY, no=376, id=371, vol=1.000000e+07
    or (segid "    " and resid    7 and name HB11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    7 and name HB13) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name   HN) 2.909 1.058 1.058 weight 1.000 ! spec=NOESY, no=377, id=372, vol=9.960000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name HG21) 2.909 1.058 1.058 weight 1.000 ! spec=NOESY, no=378, id=373, vol=9.950000e+06
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   16 and name   HN) 2.911 1.059 1.059 weight 1.000 ! spec=NOESY, no=380, id=375, vol=9.920000e+06
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   13 and name  HB2) 2.912 1.060 1.060 weight 1.000 ! spec=NOESY, no=381, id=376, vol=9.890000e+06
assign (segid "    " and resid    8 and name  HA1) (segid "    " and resid    7 and name HB22) 2.913 1.061 1.061 weight 1.000 ! spec=NOESY, no=382, id=377, vol=9.880000e+06
    or (segid "    " and resid    8 and name  HA1) (segid "    " and resid    7 and name HB21)
    or (segid "    " and resid    8 and name  HA1) (segid "    " and resid    7 and name HB23)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name  HD1) 2.914 1.061 1.061 weight 1.000 ! spec=NOESY, no=383, id=378, vol=9.860000e+06
    or (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   22 and name  HD2) 2.916 1.063 1.063 weight 1.000 ! spec=NOESY, no=384, id=379, vol=9.810000e+06
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HN) 2.920 1.066 1.066 weight 1.000 ! spec=NOESY, no=385, id=380, vol=9.740000e+06
assign (segid "    " and resid    2 and name  HE1) (segid "    " and resid   16 and name   HN) 2.924 1.069 1.069 weight 1.000 ! spec=NOESY, no=386, id=381, vol=9.650000e+06
    or (segid "    " and resid    2 and name  HE2) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   15 and name   HN) 2.932 1.075 1.075 weight 1.000 ! spec=NOESY, no=387, id=382, vol=9.500000e+06
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   20 and name   HN) 2.933 1.076 1.076 weight 1.000 ! spec=NOESY, no=388, id=383, vol=9.470000e+06
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   24 and name  HE2) 2.936 1.078 1.078 weight 1.000 ! spec=NOESY, no=390, id=385, vol=9.420000e+06
    or (segid "    " and resid   24 and name   HB) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD2) 2.937 1.078 1.078 weight 1.000 ! spec=NOESY, no=391, id=386, vol=9.410000e+06
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name  HE2) 2.940 1.081 1.081 weight 1.000 ! spec=NOESY, no=392, id=387, vol=9.340000e+06
    or (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   11 and name  HE1)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid   13 and name  HB2) 2.941 1.081 1.081 weight 1.000 ! spec=NOESY, no=394, id=389, vol=9.320000e+06
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   13 and name   HN) 2.945 1.084 1.084 weight 1.000 ! spec=NOESY, no=395, id=390, vol=9.250000e+06
assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name   HN) 2.946 1.085 1.085 weight 1.000 ! spec=NOESY, no=396, id=391, vol=9.240000e+06
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name   HN) 2.946 1.085 1.085 weight 1.000 ! spec=NOESY, no=397, id=392, vol=9.230000e+06
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   13 and name  HE1) 2.948 1.086 1.086 weight 1.000 ! spec=NOESY, no=398, id=393, vol=9.200000e+06
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name  HB1) 2.949 1.087 1.087 weight 1.000 ! spec=NOESY, no=399, id=394, vol=9.180000e+06
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HN) 2.949 1.087 1.087 weight 1.000 ! spec=NOESY, no=400, id=395, vol=9.170000e+06
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   19 and name HD22) 2.951 1.088 1.088 weight 1.000 ! spec=NOESY, no=401, id=396, vol=9.140000e+06
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name  HD1) 2.951 1.089 1.089 weight 1.000 ! spec=NOESY, no=402, id=397, vol=9.130000e+06
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid   19 and name HD22) 2.954 1.090 1.090 weight 1.000 ! spec=NOESY, no=403, id=398, vol=9.090000e+06
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   11 and name   HN) 2.954 1.090 1.090 weight 1.000 ! spec=NOESY, no=404, id=399, vol=9.090000e+06
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   22 and name  HE1) 2.961 1.096 1.096 weight 1.000 ! spec=NOESY, no=405, id=400, vol=8.960000e+06
    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   29 and name  HB2) (segid "    " and resid   29 and name   HA) 2.962 1.097 1.097 weight 1.000 ! spec=NOESY, no=406, id=401, vol=8.940000e+06
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name   HA) 2.963 1.097 1.097 weight 1.000 ! spec=NOESY, no=407, id=402, vol=8.920000e+06
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name   HN) 2.963 1.098 1.098 weight 1.000 ! spec=NOESY, no=409, id=404, vol=8.910000e+06
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 2.965 1.099 1.099 weight 1.000 ! spec=NOESY, no=410, id=405, vol=8.880000e+06
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   26 and name  HD2) 2.966 1.100 1.100 weight 1.000 ! spec=NOESY, no=411, id=406, vol=8.860000e+06
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   21 and name  HE2) 2.974 1.105 1.105 weight 1.000 ! spec=NOESY, no=412, id=407, vol=8.730000e+06
    or (segid "    " and resid   21 and name  HD2) (segid "    " and resid   21 and name  HE1)
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HE2)
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HE1)
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   25 and name   HN) 2.974 1.106 1.106 weight 1.000 ! spec=NOESY, no=413, id=408, vol=8.720000e+06
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HA1) 2.975 1.107 1.107 weight 1.000 ! spec=NOESY, no=414, id=409, vol=8.700000e+06
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   18 and name   HN) 2.976 1.107 1.107 weight 1.000 ! spec=NOESY, no=415, id=410, vol=8.680000e+06
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   13 and name  HE1) 2.986 1.114 1.114 weight 1.000 ! spec=NOESY, no=418, id=413, vol=8.520000e+06
    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   21 and name   HB) (segid "    " and resid   24 and name  HE2) 2.986 1.114 1.114 weight 1.000 ! spec=NOESY, no=419, id=414, vol=8.520000e+06
    or (segid "    " and resid   21 and name   HB) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HG2) 2.990 1.118 1.118 weight 1.000 ! spec=NOESY, no=420, id=415, vol=8.440000e+06
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   22 and name  HE1) 2.993 1.120 1.120 weight 1.000 ! spec=NOESY, no=421, id=416, vol=8.400000e+06
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   22 and name  HE1)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.998 1.124 1.124 weight 1.000 ! spec=NOESY, no=422, id=417, vol=8.310000e+06
assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid    5 and name HG21) 3.010 1.133 1.133 weight 1.000 ! spec=NOESY, no=424, id=419, vol=8.110000e+06
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    5 and name HG22)
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    5 and name HG23)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    5 and name HG21)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    5 and name HG22)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    5 and name HG23)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid    5 and name HG21)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid    5 and name HG22)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid    5 and name HG23)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   22 and name  HD2) 3.012 1.134 1.134 weight 1.000 ! spec=NOESY, no=425, id=420, vol=8.090000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 3.013 1.135 1.135 weight 1.000 ! spec=NOESY, no=426, id=421, vol=8.070000e+06
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid    2 and name  HD1) 3.017 1.137 1.137 weight 1.000 ! spec=NOESY, no=427, id=422, vol=8.010000e+06
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name   HN) 3.018 1.139 1.139 weight 1.000 ! spec=NOESY, no=428, id=423, vol=7.980000e+06
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid    4 and name   HN) 3.018 1.139 1.139 weight 1.000 ! spec=NOESY, no=429, id=424, vol=7.980000e+06
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid    2 and name  HE1) 3.029 1.147 1.147 weight 1.000 ! spec=NOESY, no=430, id=425, vol=7.810000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid    2 and name  HE2)
assign (segid "    " and resid    5 and name HG21) (segid "    " and resid    3 and name  HM1) 3.030 1.148 1.148 weight 1.000 ! spec=NOESY, no=431, id=426, vol=7.800000e+06
    or (segid "    " and resid    5 and name HG21) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    5 and name HG21) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid    5 and name HG22) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid    5 and name HG22) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    5 and name HG22) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid    5 and name HG23) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid    5 and name HG23) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    5 and name HG23) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid    6 and name  HE3) (segid "    " and resid    6 and name  HH2) 3.038 1.154 1.154 weight 1.000 ! spec=NOESY, no=432, id=427, vol=7.670000e+06
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HG) 3.040 1.155 1.155 weight 1.000 ! spec=NOESY, no=433, id=428, vol=7.650000e+06
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG21) 3.040 1.155 1.155 weight 1.000 ! spec=NOESY, no=434, id=429, vol=7.650000e+06
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name   HN) 3.040 1.155 1.155 weight 1.000 ! spec=NOESY, no=435, id=430, vol=7.640000e+06
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 3.042 1.157 1.157 weight 1.000 ! spec=NOESY, no=436, id=431, vol=7.610000e+06
assign (segid "    " and resid    7 and name HB12) (segid "    " and resid    6 and name   HA) 3.050 1.163 1.163 weight 1.000 ! spec=NOESY, no=437, id=432, vol=7.490000e+06
    or (segid "    " and resid    7 and name HB11) (segid "    " and resid    6 and name   HA)
    or (segid "    " and resid    7 and name HB13) (segid "    " and resid    6 and name   HA)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name HE21) 3.061 1.171 1.171 weight 1.000 ! spec=NOESY, no=439, id=434, vol=7.340000e+06
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name HE21)
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   13 and name  HD1) 3.064 1.174 1.174 weight 1.000 ! spec=NOESY, no=440, id=435, vol=7.290000e+06
    or (segid "    " and resid   13 and name   HZ) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    7 and name   HN) 3.065 1.174 1.174 weight 1.000 ! spec=NOESY, no=441, id=436, vol=7.280000e+06
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid   26 and name  HD2) 3.066 1.175 1.175 weight 1.000 ! spec=NOESY, no=442, id=437, vol=7.270000e+06
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name HD22) 3.069 1.177 1.177 weight 1.000 ! spec=NOESY, no=445, id=440, vol=7.220000e+06
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   24 and name  HE2) 3.073 1.180 1.180 weight 1.000 ! spec=NOESY, no=446, id=441, vol=7.170000e+06
    or (segid "    " and resid   21 and name  HD2) (segid "    " and resid   24 and name  HE1)
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   24 and name  HE2)
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   13 and name  HD1) 3.076 1.182 1.182 weight 1.000 ! spec=NOESY, no=448, id=443, vol=7.130000e+06
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD22) 3.084 1.189 1.189 weight 1.000 ! spec=NOESY, no=449, id=444, vol=7.010000e+06
    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   27 and name HD21) (segid "    " and resid    6 and name  HZ3) 3.085 1.190 1.190 weight 1.000 ! spec=NOESY, no=450, id=445, vol=7.000000e+06
    or (segid "    " and resid   27 and name HD22) (segid "    " and resid    6 and name  HZ3)
    or (segid "    " and resid   27 and name HD23) (segid "    " and resid    6 and name  HZ3)
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name HG21) 3.086 1.190 1.190 weight 1.000 ! spec=NOESY, no=451, id=446, vol=6.990000e+06
    or (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name HG22)
    or (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name HG23)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name   HN) 3.088 1.192 1.192 weight 1.000 ! spec=NOESY, no=452, id=447, vol=6.960000e+06
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HD2) 3.092 1.195 1.195 weight 1.000 ! spec=NOESY, no=453, id=448, vol=6.900000e+06
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HD1)
assign (segid "    " and resid   28 and name  HA1) (segid "    " and resid   29 and name   HN) 3.094 1.197 1.197 weight 1.000 ! spec=NOESY, no=454, id=449, vol=6.880000e+06
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name   HN) 3.096 1.198 1.198 weight 1.000 ! spec=NOESY, no=455, id=450, vol=6.850000e+06
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   10 and name   HN) 3.101 1.202 1.202 weight 1.000 ! spec=NOESY, no=456, id=451, vol=6.790000e+06
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HE2) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=458, id=453, vol=6.740000e+06
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   19 and name HD12) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=459, id=454, vol=6.740000e+06
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   19 and name   HG) (segid "    " and resid   13 and name  HD1) 3.108 1.208 1.208 weight 1.000 ! spec=NOESY, no=460, id=455, vol=6.690000e+06
    or (segid "    " and resid   19 and name   HG) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 3.116 1.214 1.214 weight 1.000 ! spec=NOESY, no=462, id=457, vol=6.590000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN) 3.116 1.214 1.214 weight 1.000 ! spec=NOESY, no=463, id=458, vol=6.590000e+06
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   24 and name  HD2) 3.123 1.219 1.219 weight 1.000 ! spec=NOESY, no=464, id=459, vol=6.500000e+06
    or (segid "    " and resid   24 and name   HB) (segid "    " and resid   24 and name  HD1)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    3 and name  HM1) 3.127 1.223 1.223 weight 1.000 ! spec=NOESY, no=465, id=460, vol=6.450000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   17 and name   HN) 3.131 1.225 1.225 weight 1.000 ! spec=NOESY, no=466, id=461, vol=6.410000e+06
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid   13 and name   HN) 3.131 1.225 1.225 weight 1.000 ! spec=NOESY, no=467, id=462, vol=6.410000e+06
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HD1) 3.133 1.227 1.227 weight 1.000 ! spec=NOESY, no=468, id=463, vol=6.380000e+06
    or (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HA) 3.137 1.230 1.230 weight 1.000 ! spec=NOESY, no=469, id=464, vol=6.330000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   13 and name  HD1) 3.142 1.234 1.234 weight 1.000 ! spec=NOESY, no=470, id=465, vol=6.270000e+06
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name  HD2)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HB2) 3.144 1.235 1.235 weight 1.000 ! spec=NOESY, no=471, id=466, vol=6.250000e+06
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid   16 and name   HA) 3.146 1.237 1.237 weight 1.000 ! spec=NOESY, no=473, id=468, vol=6.230000e+06
    or (segid "    " and resid    2 and name  HD2) (segid "    " and resid   16 and name   HA)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 3.149 1.239 1.239 weight 1.000 ! spec=NOESY, no=474, id=469, vol=6.190000e+06
assign (segid "    " and resid   15 and name  HD2) (segid "    " and resid   15 and name  HB2) 3.157 1.246 1.246 weight 1.000 ! spec=NOESY, no=477, id=472, vol=6.100000e+06
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 3.159 1.248 1.248 weight 1.000 ! spec=NOESY, no=478, id=473, vol=6.070000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   22 and name   HN) 3.161 1.249 1.249 weight 1.000 ! spec=NOESY, no=479, id=474, vol=6.050000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    2 and name   HZ) 3.164 1.251 1.251 weight 1.000 ! spec=NOESY, no=481, id=476, vol=6.020000e+06
assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   24 and name  HG2) 3.167 1.254 1.254 weight 1.000 ! spec=NOESY, no=483, id=478, vol=5.980000e+06
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   22 and name  HE1) 3.174 1.259 1.259 weight 1.000 ! spec=NOESY, no=484, id=479, vol=5.900000e+06
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   11 and name   HN) 3.178 1.262 1.262 weight 1.000 ! spec=NOESY, no=485, id=480, vol=5.860000e+06
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid   19 and name HD22) 3.178 1.262 1.262 weight 1.000 ! spec=NOESY, no=486, id=481, vol=5.860000e+06
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    6 and name  HD1) 3.178 1.262 1.262 weight 1.000 ! spec=NOESY, no=487, id=482, vol=5.860000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name   HN) 3.179 1.263 1.263 weight 1.000 ! spec=NOESY, no=488, id=483, vol=5.850000e+06
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid   26 and name  HE1) 3.179 1.263 1.263 weight 1.000 ! spec=NOESY, no=489, id=484, vol=5.850000e+06
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN) 3.181 1.265 1.265 weight 1.000 ! spec=NOESY, no=490, id=485, vol=5.820000e+06
assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid   10 and name  HA1) 3.184 1.267 1.267 weight 1.000 ! spec=NOESY, no=491, id=486, vol=5.790000e+06
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid   10 and name  HA1)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid   10 and name  HA1)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 3.189 1.271 1.271 weight 1.000 ! spec=NOESY, no=493, id=488, vol=5.740000e+06
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    9 and name  HB2) 3.189 1.271 1.271 weight 1.000 ! spec=NOESY, no=494, id=489, vol=5.740000e+06
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN) 3.192 1.273 1.273 weight 1.000 ! spec=NOESY, no=495, id=490, vol=5.710000e+06
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   10 and name   HN) 3.193 1.275 1.275 weight 1.000 ! spec=NOESY, no=496, id=491, vol=5.690000e+06
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HN) 3.199 1.279 1.279 weight 1.000 ! spec=NOESY, no=498, id=493, vol=5.630000e+06
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name   HA) 3.200 1.280 1.280 weight 1.000 ! spec=NOESY, no=499, id=494, vol=5.620000e+06
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   12 and name  HM1) 3.205 1.284 1.284 weight 1.000 ! spec=NOESY, no=500, id=495, vol=5.570000e+06
    or (segid "    " and resid   11 and name  HG2) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   11 and name  HG2) (segid "    " and resid   12 and name  HM3)
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   12 and name  HM1)
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   11 and name  HG1) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   26 and name   HN) 3.206 1.285 1.285 weight 1.000 ! spec=NOESY, no=501, id=496, vol=5.560000e+06
    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)
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   22 and name   HN) 3.210 1.288 1.288 weight 1.000 ! spec=NOESY, no=503, id=498, vol=5.520000e+06
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid   26 and name  HE1) 3.210 1.288 1.288 weight 1.000 ! spec=NOESY, no=504, id=499, vol=5.520000e+06
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   26 and name  HD2) 3.212 1.289 1.289 weight 1.000 ! spec=NOESY, no=505, id=500, vol=5.500000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   12 and name  HM1) 3.214 1.291 1.291 weight 1.000 ! spec=NOESY, no=506, id=501, vol=5.480000e+06
    or (segid "    " and resid   13 and name   HZ) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   13 and name   HZ) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HD1) 3.214 1.292 1.292 weight 1.000 ! spec=NOESY, no=507, id=502, vol=5.470000e+06
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   24 and name   HN) 3.218 1.295 1.295 weight 1.000 ! spec=NOESY, no=509, id=504, vol=5.430000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 3.219 1.296 1.296 weight 1.000 ! spec=NOESY, no=510, id=505, vol=5.420000e+06
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid    2 and name  HD1) 3.222 1.298 1.298 weight 1.000 ! spec=NOESY, no=511, id=506, vol=5.390000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name  HE2) 3.224 1.300 1.300 weight 1.000 ! spec=NOESY, no=513, id=508, vol=5.370000e+06
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name  HE1)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   14 and name   HA) 3.225 1.300 1.300 weight 1.000 ! spec=NOESY, no=514, id=509, vol=5.360000e+06
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    4 and name   HN) 3.226 1.301 1.301 weight 1.000 ! spec=NOESY, no=515, id=510, vol=5.350000e+06
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    4 and name   HN) 3.232 1.306 1.306 weight 1.000 ! spec=NOESY, no=516, id=511, vol=5.290000e+06
assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid   10 and name  HA2) 3.232 1.306 1.306 weight 1.000 ! spec=NOESY, no=517, id=512, vol=5.290000e+06
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid   10 and name  HA2)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid   10 and name  HA2)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   21 and name  HD2) 3.236 1.309 1.309 weight 1.000 ! spec=NOESY, no=518, id=513, vol=5.260000e+06
    or (segid "    " and resid   20 and name  HG2) (segid "    " and resid   21 and name  HD1)
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   21 and name  HD2)
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   21 and name  HD1)
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   22 and name  HD2) 3.240 1.312 1.312 weight 1.000 ! spec=NOESY, no=519, id=514, vol=5.220000e+06
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name  HM1) 3.243 1.314 1.314 weight 1.000 ! spec=NOESY, no=520, id=515, vol=5.190000e+06
    or (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name  HM2)
    or (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name  HM3)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HD2) 3.254 1.324 1.324 weight 1.000 ! spec=NOESY, no=522, id=517, vol=5.080000e+06
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   23 and name   HN) 3.256 1.326 1.326 weight 1.000 ! spec=NOESY, no=523, id=518, vol=5.060000e+06
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   13 and name  HB1) 3.264 1.332 1.332 weight 1.000 ! spec=NOESY, no=525, id=520, vol=4.990000e+06
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HA) 3.264 1.332 1.332 weight 1.000 ! spec=NOESY, no=526, id=521, vol=4.990000e+06
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name   HN) 3.266 1.334 1.334 weight 1.000 ! spec=NOESY, no=527, id=522, vol=4.970000e+06
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name HE22) 3.266 1.334 1.334 weight 1.000 ! spec=NOESY, no=528, id=523, vol=4.970000e+06
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name HE22)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    6 and name  HB2) 3.286 1.350 1.350 weight 1.000 ! spec=NOESY, no=529, id=524, vol=4.790000e+06
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid    2 and name  HE1) 3.291 1.354 1.354 weight 1.000 ! spec=NOESY, no=531, id=526, vol=4.750000e+06
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid    2 and name  HE2)
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid    2 and name  HD1) 3.299 1.361 1.361 weight 1.000 ! spec=NOESY, no=534, id=529, vol=4.680000e+06
    or (segid "    " and resid   16 and name   HN) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name  HB2) 3.301 1.362 1.362 weight 1.000 ! spec=NOESY, no=535, id=530, vol=4.660000e+06
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    4 and name   HN) 3.304 1.364 1.364 weight 1.000 ! spec=NOESY, no=537, id=532, vol=4.640000e+06
assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid   22 and name  HE1) 3.305 1.365 1.365 weight 1.000 ! spec=NOESY, no=538, id=533, vol=4.630000e+06
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   22 and name  HE1)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name  HE1) 3.318 1.376 1.376 weight 1.000 ! spec=NOESY, no=539, id=534, vol=4.520000e+06
assign (segid "    " and resid    2 and name  HE1) (segid "    " and resid   16 and name  HB2) 3.321 1.378 1.378 weight 1.000 ! spec=NOESY, no=540, id=535, vol=4.500000e+06
    or (segid "    " and resid    2 and name  HE2) (segid "    " and resid   16 and name  HB2)
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid    4 and name   HN) 3.328 1.385 1.385 weight 1.000 ! spec=NOESY, no=542, id=537, vol=4.440000e+06
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name   HN) 3.332 1.388 1.388 weight 1.000 ! spec=NOESY, no=543, id=538, vol=4.410000e+06
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HN) 3.345 1.398 1.398 weight 1.000 ! spec=NOESY, no=545, id=540, vol=4.310000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   20 and name   HN) 3.351 1.404 1.404 weight 1.000 ! spec=NOESY, no=546, id=541, vol=4.260000e+06
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid    6 and name  HE1) 3.351 1.404 1.404 weight 1.000 ! spec=NOESY, no=547, id=542, vol=4.260000e+06
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name  HE1) 3.355 1.407 1.407 weight 1.000 ! spec=NOESY, no=549, id=544, vol=4.230000e+06
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HE1) 3.361 1.412 1.412 weight 1.000 ! spec=NOESY, no=550, id=545, vol=4.190000e+06
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name  HE2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   19 and name HD12) 3.387 1.434 1.434 weight 1.000 ! spec=NOESY, no=552, id=547, vol=4.000000e+06
    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   17 and name   HN) (segid "    " and resid   15 and name  HG2) 3.388 1.435 1.435 weight 1.000 ! spec=NOESY, no=553, id=548, vol=3.990000e+06
    or (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name  HG1)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HD1) 3.391 1.437 1.437 weight 1.000 ! spec=NOESY, no=554, id=549, vol=3.970000e+06
assign (segid "    " and resid   13 and name  HE1) (segid "    " and resid    4 and name   HN) 3.397 1.442 1.442 weight 1.000 ! spec=NOESY, no=555, id=550, vol=3.930000e+06
    or (segid "    " and resid   13 and name  HE2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid    7 and name HB12) (segid "    " and resid    6 and name  HE1) 3.398 1.443 1.443 weight 1.000 ! spec=NOESY, no=556, id=551, vol=3.920000e+06
    or (segid "    " and resid    7 and name HB11) (segid "    " and resid    6 and name  HE1)
    or (segid "    " and resid    7 and name HB13) (segid "    " and resid    6 and name  HE1)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD12) 3.399 1.445 1.445 weight 1.000 ! spec=NOESY, no=557, id=552, vol=3.910000e+06
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name   HA) 3.410 1.453 1.453 weight 1.000 ! spec=NOESY, no=558, id=553, vol=3.840000e+06
assign (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name   HA) 3.410 1.453 1.453 weight 1.000 ! spec=NOESY, no=559, id=554, vol=3.840000e+06
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   22 and name  HD2) 3.420 1.462 1.462 weight 1.000 ! spec=NOESY, no=560, id=555, vol=3.770000e+06
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   19 and name HD12) 3.425 1.466 1.466 weight 1.000 ! spec=NOESY, no=561, id=556, vol=3.740000e+06
    or (segid "    " and resid   20 and name  HG2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   20 and name  HG2) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid    6 and name  HE3) (segid "    " and resid   26 and name  HD2) 3.425 1.466 1.466 weight 1.000 ! spec=NOESY, no=562, id=557, vol=3.740000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HD2) 3.436 1.475 1.475 weight 1.000 ! spec=NOESY, no=564, id=559, vol=3.670000e+06
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HD2) 3.439 1.478 1.478 weight 1.000 ! spec=NOESY, no=566, id=561, vol=3.650000e+06
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   23 and name   HN) 3.451 1.489 1.489 weight 1.000 ! spec=NOESY, no=568, id=563, vol=3.570000e+06
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HM1) 3.455 1.492 1.492 weight 1.000 ! spec=NOESY, no=569, id=564, vol=3.550000e+06
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid    3 and name  HE3) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   25 and name   HN) 3.456 1.493 1.493 weight 1.000 ! spec=NOESY, no=570, id=565, vol=3.540000e+06
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   14 and name HG21) 3.481 1.515 1.515 weight 1.000 ! spec=NOESY, no=573, id=568, vol=3.390000e+06
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   14 and name HG22)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   14 and name HG23)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   14 and name HG21)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   14 and name HG22)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid   14 and name HG23)
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid   23 and name   HN) 3.497 1.529 1.529 weight 1.000 ! spec=NOESY, no=575, id=570, vol=3.300000e+06
    or (segid "    " and resid   19 and name HD21) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   19 and name HD23) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    6 and name  HD1) 3.500 1.532 1.532 weight 1.000 ! spec=NOESY, no=576, id=571, vol=3.280000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HA) 3.504 1.535 1.535 weight 1.000 ! spec=NOESY, no=577, id=572, vol=3.260000e+06
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    9 and name   HN) 3.511 1.541 1.541 weight 1.000 ! spec=NOESY, no=579, id=574, vol=3.220000e+06
assign (segid "    " and resid    5 and name   HB) (segid "    " and resid    3 and name  HE2) 3.522 1.551 1.551 weight 1.000 ! spec=NOESY, no=581, id=576, vol=3.160000e+06
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    3 and name  HE3)
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   22 and name   HN) 3.524 1.552 1.552 weight 1.000 ! spec=NOESY, no=582, id=577, vol=3.150000e+06
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    7 and name   HN) 3.534 1.561 1.561 weight 1.000 ! spec=NOESY, no=585, id=580, vol=3.100000e+06
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   19 and name HD12) 3.535 1.562 1.562 weight 1.000 ! spec=NOESY, no=586, id=581, vol=3.090000e+06
    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   30 and name   HA) (segid "    " and resid   30 and name   HN) 3.537 1.564 1.564 weight 1.000 ! spec=NOESY, no=587, id=582, vol=3.080000e+06
assign (segid "    " and resid   14 and name   HB) (segid "    " and resid   14 and name   HN) 3.563 1.587 1.587 weight 1.000 ! spec=NOESY, no=588, id=583, vol=2.950000e+06
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HE3) 3.563 1.587 1.587 weight 1.000 ! spec=NOESY, no=589, id=584, vol=2.950000e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD22) 3.569 1.592 1.592 weight 1.000 ! spec=NOESY, no=590, id=585, vol=2.920000e+06
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   23 and name   HN) 3.571 1.594 1.594 weight 1.000 ! spec=NOESY, no=591, id=586, vol=2.910000e+06
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid    3 and name   HA) 3.581 1.603 1.603 weight 1.000 ! spec=NOESY, no=592, id=587, vol=2.860000e+06
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid   13 and name   HZ) (segid "    " and resid   22 and name  HB2) 3.586 1.607 1.607 weight 1.000 ! spec=NOESY, no=594, id=589, vol=2.840000e+06
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   16 and name   HA) 3.603 1.622 1.622 weight 1.000 ! spec=NOESY, no=596, id=591, vol=2.760000e+06
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid    7 and name   HN) 3.607 1.626 1.626 weight 1.000 ! spec=NOESY, no=597, id=592, vol=2.740000e+06
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid   26 and name  HE1) 3.616 1.634 1.634 weight 1.000 ! spec=NOESY, no=598, id=593, vol=2.700000e+06
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   26 and name  HD2) 3.627 1.645 1.645 weight 1.000 ! spec=NOESY, no=599, id=594, vol=2.650000e+06
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   26 and name  HD2)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid   19 and name HD12) (segid "    " and resid   20 and name HE22) 3.641 1.657 1.657 weight 1.000 ! spec=NOESY, no=600, id=595, vol=2.590000e+06
    or (segid "    " and resid   19 and name HD11) (segid "    " and resid   20 and name HE22)
    or (segid "    " and resid   19 and name HD13) (segid "    " and resid   20 and name HE22)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid    3 and name  HM1) 3.643 1.659 1.659 weight 1.000 ! spec=NOESY, no=601, id=596, vol=2.580000e+06
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid    3 and name  HM3)
assign (segid "    " and resid   21 and name  HA2) (segid "    " and resid   23 and name   HN) 3.653 1.668 1.668 weight 1.000 ! spec=NOESY, no=602, id=597, vol=2.540000e+06
    or (segid "    " and resid   21 and name  HA1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid    6 and name   HN) 3.675 1.688 1.688 weight 1.000 ! spec=NOESY, no=603, id=598, vol=2.450000e+06
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HD2) 3.706 1.717 1.717 weight 1.000 ! spec=NOESY, no=604, id=599, vol=2.330000e+06
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   22 and name   HA) 3.756 1.763 1.763 weight 1.000 ! spec=NOESY, no=606, id=601, vol=2.150000e+06
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   25 and name   HA) 3.759 1.766 1.766 weight 1.000 ! spec=NOESY, no=607, id=602, vol=2.140000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name   HN) 3.774 1.780 1.780 weight 1.000 ! spec=NOESY, no=608, id=603, vol=2.090000e+06
assign (segid "    " and resid    5 and name HG21) (segid "    " and resid    6 and name   HN) 3.891 1.892 1.892 weight 1.000 ! spec=NOESY, no=609, id=604, vol=1.740000e+06
    or (segid "    " and resid    5 and name HG22) (segid "    " and resid    6 and name   HN)
    or (segid "    " and resid    5 and name HG23) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid    7 and name HB22) (segid "    " and resid    6 and name  HD1) 3.971 1.971 1.971 weight 1.000 ! spec=NOESY, no=610, id=605, vol=1.540000e+06
    or (segid "    " and resid    7 and name HB21) (segid "    " and resid    6 and name  HD1)
    or (segid "    " and resid    7 and name HB23) (segid "    " and resid    6 and name  HD1)
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid    3 and name  HM1) 4.059 2.059 2.059 weight 1.000 ! spec=NOESY, no=611, id=606, vol=1.350000e+06
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid    3 and name  HM3)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid    3 and name  HM1)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid    3 and name  HM2)
    or (segid "    " and resid   13 and name  HD2) (segid "    " and resid    3 and name  HM3)
# Restraints file 3: wsh2039_hbonds_v2.tbl
!hairpin
assign  (resid 2 and name HN )  (resid 13 and name O )  1.9 0.1 0.1
assign  (resid 2 and name N )  (resid 13 and name O )   2.9 0.2 0.2
assign  (resid 13 and name HN )  (resid 2 and name O )  1.9 0.1 0.1
assign  (resid 13 and name N )  (resid 2 and name O )   2.9 0.2 0.2
assign  (resid 4 and name HN )  (resid 11 and name O )  1.9 0.1 0.1
assign  (resid 4 and name N )  (resid 11 and name O )   2.9 0.2 0.2
assign  (resid 9 and name HN )  (resid 6 and name O )  1.9 0.1 0.1
assign  (resid 9 and name N )  (resid 6 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 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: wsh2039_dihedrals.tbl
!Phi angle constraints

!C4
 assign (resid  3  and name C ) (resid  4  and name N ) 
        (resid  4  and name CA) (resid  4  and name C )   1.0  -65.0 25.0 2
!W6
 assign (resid  5  and name C ) (resid  6  and name N ) 
        (resid  6  and name CA) (resid  6  and name C )   1.0  -65.0 25.0 2
!F13
 assign (resid 12  and name C ) (resid 13  and name N ) 
        (resid 13  and name CA) (resid 13  and name C )   1.0  -120.0 40.0 2
!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
!b3D17
 assign (resid 16  and name C ) (resid 17  and name N ) 
        (resid 17  and name CB) (resid 17  and name CA)   1.0  -120.0 40.0 2
!Q20
 assign (resid  19  and name C ) (resid  20  and name N ) 
        (resid  20  and name CA) (resid  20  and name C )   1.0  -65.0 25.0 2
!b3R21
 assign (resid  20  and name C ) (resid  21  and name N ) 
        (resid  21  and name CB) (resid  21  and name CA)   1.0  -120.0 40.0 2
!H22
 assign (resid  21  and name C ) (resid  22  and name N ) 
        (resid  22  and name CA) (resid  22  and name C )   1.0  -65.0 25.0 2
!K23
 assign (resid  22  and name C ) (resid  23  and name N ) 
        (resid  23  and name CA) (resid  23  and name C )   1.0  -65.0 25.0 2
!T25
 assign (resid  24  and name C ) (resid  25  and name N ) 
        (resid  25  and name CA) (resid  25  and name C )   1.0  -65.0 25.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           HT1      PRO   1 -10.882   0.759   5.054
    2    H3   PRO   1           HT2      PRO   1 -11.881  -0.364   4.418
    3    HA   PRO   1           HA       PRO   1 -10.451  -0.933   3.009
    4    HB2  PRO   1           HB2      PRO   1  -9.744   1.699   1.901
    5    HB3  PRO   1           HB1      PRO   1 -10.392   0.266   1.085
    6    HG2  PRO   1           HG2      PRO   1 -11.920   2.428   1.560
    7    HG3  PRO   1           HG1      PRO   1 -12.569   0.780   1.608
    8    HD2  PRO   1           HD2      PRO   1 -11.795   2.579   3.877
    9    HD3  PRO   1           HD1      PRO   1 -13.199   1.510   3.721
   10    H    PHE   2           HN       PHE   2  -8.093  -0.422   2.192
   11    HA   PHE   2           HA       PHE   2  -6.574   0.428   4.561
   12    HB2  PHE   2           HB2      PHE   2  -5.673  -1.423   2.344
   13    HB3  PHE   2           HB1      PHE   2  -4.818  -1.076   3.844
   14    HD1  PHE   2           HD1      PHE   2  -7.430  -3.021   2.262
   15    HD2  PHE   2           HD2      PHE   2  -5.674  -1.934   5.982
   16    HE1  PHE   2           HE1      PHE   2  -8.552  -4.923   3.342
   17    HE2  PHE   2           HE2      PHE   2  -6.795  -3.837   7.070
   18    HZ   PHE   2           HZ       PHE   2  -8.237  -5.331   5.748
   19    HE3  9KK   3           HE3      MEB   3  -5.831   8.231   1.025
   20    HE2  9KK   3           HE2      MEB   3  -6.415   9.168   2.399
   21    HE1  9KK   3           HE1      MEB   3  -4.745   8.601   2.363
   22    HD2  9KK   3           HD1      MEB   3  -6.100   7.224   3.853
   23    HD3  9KK   3           HD2      MEB   3  -7.203   6.863   2.516
   24    HG2  9KK   3           HG1      MEB   3  -5.375   5.798   1.286
   25    HG3  9KK   3           HG2      MEB   3  -4.260   6.182   2.599
   26    HB2  9KK   3           HB1      MEB   3  -5.476   4.768   4.111
   27    HB3  9KK   3           HB2      MEB   3  -6.714   4.468   2.901
   28    HA   9KK   3           HA       MEB   3  -5.064   3.296   1.499
   29    HM1  9KK   3           HM1      MEB   3  -4.876   3.194   5.140
   30    HM3  9KK   3           HM3      MEB   3  -6.505   2.525   5.119
   31    HM2  9KK   3           HM2      MEB   3  -5.108   1.447   5.214
   32    H    CYS   4           HN       CYS   4  -3.134   3.806   0.805
   33    HA   CYS   4           HA       CYS   4  -0.816   3.381   2.417
   34    HB2  CYS   4           HB2      CYS   4  -0.732   2.848   0.048
   35    HB3  CYS   4           HB1      CYS   4  -1.121   4.515  -0.371
   36    H    THR   5           HN       THR   5  -0.435   4.804   3.997
   37    HA   THR   5           HA       THR   5  -0.956   7.638   3.563
   38    HB   THR   5           HB       THR   5  -0.323   7.753   6.050
   39    HG1  THR   5           HG1      THR   5  -0.977   5.089   6.353
   40   HG21  THR   5          HG21      THR   5  -2.636   7.846   5.256
   41   HG22  THR   5          HG22      THR   5  -2.522   6.919   6.753
   42   HG23  THR   5          HG23      THR   5  -2.698   6.084   5.209
   43    H    TRP   6           HN       TRP   6   1.109   6.841   2.004
   44    HA   TRP   6           HA       TRP   6   3.614   7.363   3.372
   45    HB2  TRP   6           HB2      TRP   6   3.424   5.623   1.588
   46    HB3  TRP   6           HB1      TRP   6   3.098   6.899   0.429
   47    HD1  TRP   6           HD1      TRP   6   5.154   8.441  -0.312
   48    HE1  TRP   6           HE1      TRP   6   7.697   8.084  -0.178
   49    HE3  TRP   6           HE3      TRP   6   5.244   4.601   3.044
   50    HZ2  TRP   6           HZ2      TRP   6   9.506   6.386   1.180
   51    HZ3  TRP   6           HZ3      TRP   6   7.413   3.663   3.708
   52    HH2  TRP   6           HH2      TRP   6   9.499   4.535   2.796
   53    H    AIB   7           HN       AIB   7   4.939   9.121   2.950
   54   HB11  AIB   7          HB11      AIB   7   6.110  12.443   2.421
   55   HB12  AIB   7          HB12      AIB   7   6.640  10.789   2.117
   56   HB13  AIB   7          HB13      AIB   7   5.986  11.229   3.696
   57   HB21  AIB   7          HB21      AIB   7   3.678  11.795   3.967
   58   HB22  AIB   7          HB22      AIB   7   2.536  11.666   2.631
   59   HB23  AIB   7          HB23      AIB   7   3.728  12.966   2.648
   60    H    GLY   8           HN       GLY   8   2.775  12.388   0.844
   61    HA2  GLY   8           HA2      GLY   8   2.849  13.302  -1.322
   62    HA3  GLY   8           HA1      GLY   8   4.248  12.294  -1.675
   63    H    CYS   9           HN       CYS   9   2.013  10.409  -0.162
   64    HA   CYS   9           HA       CYS   9   0.825   9.552  -2.713
   65    HB2  CYS   9           HB2      CYS   9   2.701   8.092  -1.682
   66    HB3  CYS   9           HB1      CYS   9   1.503   7.670  -0.469
   67    H    GLY  10           HN       GLY  10  -1.011   7.830  -2.009
   68    HA2  GLY  10           HA2      GLY  10  -2.494   8.007   0.273
   69    HA3  GLY  10           HA1      GLY  10  -2.956   9.439  -0.638
   70    H    LYS  11           HN       LYS  11  -2.364   6.010  -1.342
   71    HA   LYS  11           HA       LYS  11  -4.687   6.032  -3.132
   72    HB2  LYS  11           HB2      LYS  11  -2.381   4.078  -2.951
   73    HB3  LYS  11           HB1      LYS  11  -3.683   4.003  -4.130
   74    HG2  LYS  11           HG2      LYS  11  -1.651   6.216  -3.883
   75    HG3  LYS  11           HG1      LYS  11  -1.646   4.932  -5.093
   76    HD2  LYS  11           HD2      LYS  11  -3.804   5.744  -5.943
   77    HD3  LYS  11           HD1      LYS  11  -3.784   7.035  -4.742
   78    HE2  LYS  11           HE2      LYS  11  -3.052   7.872  -6.898
   79    HE3  LYS  11           HE1      LYS  11  -1.731   7.922  -5.735
   80    HZ1  LYS  11           HZ1      LYS  11  -0.813   5.930  -6.710
   81    HZ2  LYS  11           HZ2      LYS  11  -1.028   7.102  -7.908
   82    HZ3  LYS  11           HZ3      LYS  11  -2.112   5.808  -7.788
   83    HA   MMO  12           HA       MER  12  -6.324   3.029  -0.254
   84   HCB1  MMO  12           HB1      MER  12  -8.773   3.355  -0.397
   85   HCB2  MMO  12           HB2      MER  12  -8.568   4.145  -1.954
   86   HCG1  MMO  12           HG1      MER  12  -7.315   5.941  -0.899
   87   HCG2  MMO  12           HG2      MER  12  -7.456   5.134   0.664
   88   HCD1  MMO  12           HD1      MER  12  -9.852   5.378   0.628
   89   HCD2  MMO  12           HD2      MER  12  -9.795   6.049  -0.999
   90   HH21  MMO  12          HH11      MER  12 -11.021   6.139   1.666
   91   HH22  MMO  12          HH12      MER  12 -11.455   7.454   2.709
   92   HH11  MMO  12          HH21      MER  12 -10.298   9.430   2.620
   93    HC1  MMO  12           HM1      MER  12  -6.901   5.502  -3.300
   94    HC2  MMO  12           HM2      MER  12  -7.279   3.827  -3.698
   95    HC3  MMO  12           HM3      MER  12  -5.701   4.496  -4.104
   96    HE   MMO  12           HE       MER  12  -8.409   7.887   0.126
   97   HH12  MMO  12          HH22      MER  12  -8.983   9.624   1.505
   98    H    PHE  13           HN       PHE  13  -6.568   0.927  -0.156
   99    HA   PHE  13           HA       PHE  13  -7.385  -0.534  -2.577
  100    HB2  PHE  13           HB2      PHE  13  -5.211  -1.286  -0.608
  101    HB3  PHE  13           HB1      PHE  13  -5.715  -2.253  -1.990
  102    HD1  PHE  13           HD1      PHE  13  -5.063  -1.659  -4.224
  103    HD2  PHE  13           HD2      PHE  13  -3.976   0.779  -0.915
  104    HE1  PHE  13           HE1      PHE  13  -3.465  -0.446  -5.646
  105    HE2  PHE  13           HE2      PHE  13  -2.373   1.992  -2.324
  106    HZ   PHE  13           HZ       PHE  13  -2.121   1.388  -4.697
  107    H    THR  14           HN       THR  14  -8.469  -2.523  -2.235
  108    HA   THR  14           HA       THR  14  -9.940  -2.563   0.287
  109    HB   THR  14           HB       THR  14 -11.271  -2.595  -1.762
  110    HG1  THR  14           HG1      THR  14 -11.540  -4.229   0.255
  111   HG21  THR  14          HG21      THR  14 -11.251  -4.549  -3.255
  112   HG22  THR  14          HG22      THR  14  -9.882  -5.207  -2.363
  113   HG23  THR  14          HG23      THR  14  -9.705  -3.702  -3.262
  114    H    ARG  15           HN       ARG  15  -7.202  -3.917  -0.872
  115    HA   ARG  15           HA       ARG  15  -7.469  -6.206   0.948
  116    HB2  ARG  15           HB2      ARG  15  -6.072  -6.159  -1.728
  117    HB3  ARG  15           HB1      ARG  15  -5.897  -7.451  -0.553
  118    HG2  ARG  15           HG2      ARG  15  -8.308  -7.903  -0.723
  119    HG3  ARG  15           HG1      ARG  15  -8.436  -6.639  -1.948
  120    HD2  ARG  15           HD2      ARG  15  -6.883  -7.850  -3.376
  121    HD3  ARG  15           HD1      ARG  15  -6.719  -9.105  -2.152
  122    HE   ARG  15           HE       ARG  15  -9.439  -8.795  -2.854
  123   HH11  ARG  15          HH11      ARG  15  -6.417 -10.032  -4.105
  124   HH12  ARG  15          HH12      ARG  15  -7.169 -11.218  -5.123
  125   HH21  ARG  15          HH21      ARG  15 -10.447 -10.350  -4.196
  126   HH22  ARG  15          HH22      ARG  15  -9.469 -11.402  -5.167
  127    H    SER  16           HN       SER  16  -6.023  -6.206   2.507
  128    HA   SER  16           HA       SER  16  -4.089  -4.156   2.758
  129    HB2  SER  16           HB2      SER  16  -5.222  -5.298   4.681
  130    HB3  SER  16           HB1      SER  16  -4.268  -6.737   4.334
  131    HG   SER  16           HG       SER  16  -2.531  -5.805   5.126
  132    HG3  B3D  17           HG2      B3D  17  -2.719  -9.580   1.735
  133    HG2  B3D  17           HG1      B3D  17  -1.156  -9.671   0.939
  134    HA   B3D  17           HA       B3D  17  -1.161  -7.027   1.007
  135    H    B3D  17           HN       B3D  17  -3.990  -7.478   1.666
  136    HB1  B3D  17           HB1      B3D  17  -1.915  -8.890  -0.840
  137    HB2  B3D  17           HB2      B3D  17  -3.451  -8.060  -0.625
  138    H    GLU  18           HN       GLU  18  -3.808  -6.293  -1.705
  139    HA   GLU  18           HA       GLU  18  -1.916  -5.437  -3.652
  140    HB2  GLU  18           HB2      GLU  18  -4.633  -4.375  -2.898
  141    HB3  GLU  18           HB1      GLU  18  -3.682  -3.767  -4.246
  142    HG2  GLU  18           HG2      GLU  18  -4.846  -6.512  -3.910
  143    HG3  GLU  18           HG1      GLU  18  -5.278  -5.295  -5.106
  144    H    LEU  19           HN       LEU  19  -3.066  -4.147  -0.587
  145    HA   LEU  19           HA       LEU  19  -1.920  -1.582  -0.871
  146    HB2  LEU  19           HB2      LEU  19  -3.655  -2.131   0.782
  147    HB3  LEU  19           HB1      LEU  19  -2.529  -3.164   1.630
  148    HG   LEU  19           HG       LEU  19  -3.030  -0.834   2.592
  149   HD11  LEU  19          HD11      LEU  19  -1.281  -2.258   3.462
  150   HD12  LEU  19          HD12      LEU  19  -0.742  -0.580   3.417
  151   HD13  LEU  19          HD13      LEU  19  -0.183  -1.720   2.192
  152   HD21  LEU  19          HD21      LEU  19  -2.780   0.467   0.573
  153   HD22  LEU  19          HD22      LEU  19  -1.108  -0.062   0.404
  154   HD23  LEU  19          HD23      LEU  19  -1.576   0.964   1.759
  155    H    GLN  20           HN       GLN  20  -0.743  -4.507   0.791
  156    HA   GLN  20           HA       GLN  20   1.746  -3.388   1.510
  157    HB2  GLN  20           HB2      GLN  20   0.745  -5.383   2.598
  158    HB3  GLN  20           HB1      GLN  20   1.083  -6.310   1.145
  159    HG2  GLN  20           HG2      GLN  20   2.752  -6.693   2.882
  160    HG3  GLN  20           HG1      GLN  20   3.461  -5.971   1.439
  161   HE21  GLN  20          HE21      GLN  20   4.229  -3.850   1.526
  162   HE22  GLN  20          HE22      GLN  20   4.493  -3.035   3.031
  163    H    HMR  21           HN       B3R  21   0.902  -5.645  -1.148
  164    HB   HMR  21           HB       B3R  21   3.420  -4.743  -2.385
  165    HB2  HMR  21           HG1      B3R  21   3.365  -6.981  -3.585
  166    HB3  HMR  21           HG2      B3R  21   1.870  -7.380  -2.750
  167    HG2  HMR  21           HD1      B3R  21   3.046  -7.292  -0.613
  168    HG3  HMR  21           HD2      B3R  21   4.548  -6.918  -1.457
  169    HD2  HMR  21           HE1      B3R  21   4.427  -9.060  -2.629
  170    HD3  HMR  21           HE2      B3R  21   2.918  -9.434  -1.795
  171    HE   HMR  21           HF       B3R  21   4.968  -8.843   0.065
  172    HH1  HMR  21          HH11      B3R  21   3.873 -11.351  -2.109
  173   HH21  HMR  21          HH21      B3R  21   5.728 -12.169   0.751
  174   HH22  HMR  21          HH22      B3R  21   5.887 -10.531   1.293
  175    HC1  HMR  21           HA1      B3R  21   1.886  -5.581  -4.520
  176    HC2  HMR  21           HA2      B3R  21   0.659  -4.879  -3.468
  177    HH2  HMR  21          HH12      B3R  21   4.581 -12.637  -1.187
  178    H    HIS  22           HN       HIS  22   0.595  -2.768  -3.110
  179    HA   HIS  22           HA       HIS  22   1.901  -1.059  -5.000
  180    HB2  HIS  22           HB2      HIS  22  -0.345  -0.488  -4.546
  181    HB3  HIS  22           HB1      HIS  22  -0.120  -0.635  -2.808
  182    HD1  HIS  22           HD1      HIS  22   0.158   1.836  -5.612
  183    HD2  HIS  22           HD2      HIS  22   1.193   1.526  -1.582
  184    HE1  HIS  22           HE1      HIS  22   0.847   4.167  -4.849
  185    H    LYS  23           HN       LYS  23   1.863  -1.285  -1.426
  186    HA   LYS  23           HA       LYS  23   3.526   0.844  -0.853
  187    HB2  LYS  23           HB2      LYS  23   2.254  -0.711   0.766
  188    HB3  LYS  23           HB1      LYS  23   3.679  -1.739   0.693
  189    HG2  LYS  23           HG2      LYS  23   3.966  -0.430   2.613
  190    HG3  LYS  23           HG1      LYS  23   5.002   0.316   1.395
  191    HD2  LYS  23           HD2      LYS  23   3.211   1.958   0.929
  192    HD3  LYS  23           HD1      LYS  23   2.250   1.242   2.224
  193    HE2  LYS  23           HE2      LYS  23   4.983   2.477   2.570
  194    HE3  LYS  23           HE1      LYS  23   3.458   3.286   2.927
  195    HZ1  LYS  23           HZ1      LYS  23   4.435   2.387   4.923
  196    HZ2  LYS  23           HZ2      LYS  23   4.491   0.838   4.253
  197    HZ3  LYS  23           HZ3      LYS  23   2.997   1.564   4.577
  198    H    HMR  24           HN       B3R  24   4.391  -2.498  -1.557
  199    HB   HMR  24           HB       B3R  24   7.199  -1.723  -1.681
  200    HB2  HMR  24           HG1      B3R  24   5.817  -4.427  -2.209
  201    HB3  HMR  24           HG2      B3R  24   6.412  -3.926  -0.634
  202    HG2  HMR  24           HD1      B3R  24   8.645  -4.074  -1.299
  203    HG3  HMR  24           HD2      B3R  24   8.218  -4.120  -3.009
  204    HD2  HMR  24           HE1      B3R  24   7.495  -6.259  -1.020
  205    HD3  HMR  24           HE2      B3R  24   8.896  -6.326  -2.087
  206    HE   HMR  24           HF       B3R  24   6.579  -5.868  -3.620
  207    HH1  HMR  24          HH21      B3R  24   5.661  -7.561  -4.841
  208   HH21  HMR  24          HH11      B3R  24   8.108  -8.391  -1.736
  209   HH22  HMR  24          HH12      B3R  24   7.406  -9.678  -2.658
  210    HC1  HMR  24           HA1      B3R  24   6.872  -3.224  -4.014
  211    HC2  HMR  24           HA2      B3R  24   5.417  -2.242  -3.995
  212    HH2  HMR  24          HH22      B3R  24   6.012  -9.210  -4.426
  213    H    THR  25           HN       THR  25   5.545  -0.035  -4.208
  214    HA   THR  25           HA       THR  25   7.793   0.760  -5.827
  215    HB   THR  25           HB       THR  25   5.562   1.354  -6.587
  216    HG1  THR  25           HG1      THR  25   7.585   3.126  -6.225
  217   HG21  THR  25          HG21      THR  25   4.426   1.626  -4.451
  218   HG22  THR  25          HG22      THR  25   4.240   3.079  -5.430
  219   HG23  THR  25          HG23      THR  25   5.396   3.056  -4.099
  220    H    HIS  26           HN       HIS  26   6.655   1.387  -2.588
  221    HA   HIS  26           HA       HIS  26   8.553   3.591  -2.295
  222    HB2  HIS  26           HB2      HIS  26   6.727   2.436  -0.180
  223    HB3  HIS  26           HB1      HIS  26   7.593   3.965  -0.114
  224    HD1  HIS  26           HD1      HIS  26   6.724   5.573  -2.436
  225    HD2  HIS  26           HD2      HIS  26   4.169   2.856  -0.575
  226    HE1  HIS  26           HE1      HIS  26   4.339   6.329  -2.962
  227    HG   B3T  27           HG       B3T  27   9.602  -1.482   1.752
  228   HOD1  B3T  27           HD1      B3T  27   7.712  -2.254   1.249
  229   H1D2  B3T  27          HD21      B3T  27   8.271  -0.061   3.244
  230   H2D2  B3T  27          HD22      B3T  27   8.105   1.131   1.955
  231   H3D2  B3T  27          HD23      B3T  27   9.691   0.793   2.643
  232    HA   B3T  27           HA       B3T  27  10.495   0.409   0.371
  233    H    B3T  27           H        B3T  27   7.775   0.493  -0.728
  234    HB1  B3T  27           HA1      B3T  27   9.850  -1.017  -1.877
  235    HB2  B3T  27           HA2      B3T  27   9.505  -2.182  -0.603
  236    H    GLY  28           HN       GLY  28  11.176  -3.567  -0.743
  237    HA2  GLY  28           HA2      GLY  28  13.562  -3.761  -1.518
  238    HA3  GLY  28           HA1      GLY  28  13.875  -2.409  -0.442
  239    H    GLU  29           HN       GLU  29  12.873  -2.886   1.859
  240    HA   GLU  29           HA       GLU  29  13.963  -5.491   2.674
  241    HB2  GLU  29           HB2      GLU  29  14.947  -3.459   3.709
  242    HB3  GLU  29           HB1      GLU  29  13.368  -3.051   4.362
  243    HG2  GLU  29           HG2      GLU  29  13.385  -5.151   5.640
  244    HG3  GLU  29           HG1      GLU  29  15.006  -5.480   5.033
  245    H    LYS  30           HN       LYS  30  11.116  -3.481   2.733
  246    HA   LYS  30           HA       LYS  30   9.647  -5.655   4.071
  247    HB2  LYS  30           HB2      LYS  30   9.740  -3.550   5.384
  248    HB3  LYS  30           HB1      LYS  30   8.972  -2.703   4.050
  249    HG2  LYS  30           HG2      LYS  30   6.973  -4.039   4.312
  250    HG3  LYS  30           HG1      LYS  30   7.742  -4.981   5.590
  251    HD2  LYS  30           HD2      LYS  30   7.936  -2.958   6.957
  252    HD3  LYS  30           HD1      LYS  30   7.166  -2.020   5.672
  253    HE2  LYS  30           HE2      LYS  30   5.140  -3.326   5.892
  254    HE3  LYS  30           HE1      LYS  30   5.902  -4.351   7.106
  255    HZ1  LYS  30           HZ1      LYS  30   6.062  -2.470   8.578
  256    HZ2  LYS  30           HZ2      LYS  30   4.457  -2.656   8.082
  257    HZ3  LYS  30           HZ3      LYS  30   5.416  -1.438   7.404
  258    HN1  NH2  31           HN1      NH2  31   9.122  -6.742   2.230
  259    HN2  NH2  31           HN2      NH2  31   8.039  -6.123   1.033
  Start of MODEL    2
    1    H2   PRO   1           HT1      PRO   1 -11.075  -0.129   4.858
    2    H3   PRO   1           HT2      PRO   1 -11.464  -1.602   4.275
    3    HA   PRO   1           HA       PRO   1 -10.137  -1.512   2.618
    4    HB2  PRO   1           HB2      PRO   1  -9.837   1.232   1.917
    5    HB3  PRO   1           HB1      PRO   1 -10.672  -0.035   1.004
    6    HG2  PRO   1           HG2      PRO   1 -11.764   1.972   2.887
    7    HG3  PRO   1           HG1      PRO   1 -12.541   1.191   1.500
    8    HD2  PRO   1           HD2      PRO   1 -13.208   0.510   3.997
    9    HD3  PRO   1           HD1      PRO   1 -13.089  -0.719   2.725
   10    H    PHE   2           HN       PHE   2  -7.959  -0.283   2.084
   11    HA   PHE   2           HA       PHE   2  -6.764   0.640   4.613
   12    HB2  PHE   2           HB2      PHE   2  -5.422  -1.156   2.576
   13    HB3  PHE   2           HB1      PHE   2  -4.757  -0.631   4.119
   14    HD1  PHE   2           HD1      PHE   2  -6.942  -2.986   2.438
   15    HD2  PHE   2           HD2      PHE   2  -5.647  -1.526   6.219
   16    HE1  PHE   2           HE1      PHE   2  -7.868  -4.986   3.520
   17    HE2  PHE   2           HE2      PHE   2  -6.574  -3.528   7.310
   18    HZ   PHE   2           HZ       PHE   2  -7.685  -5.262   5.961
   19    HE3  9KK   3           HE3      MEB   3  -6.115   9.396   2.801
   20    HE2  9KK   3           HE2      MEB   3  -4.518   8.736   2.456
   21    HE1  9KK   3           HE1      MEB   3  -5.850   8.451   1.336
   22    HD2  9KK   3           HD1      MEB   3  -5.671   7.419   4.165
   23    HD3  9KK   3           HD2      MEB   3  -7.006   7.130   3.037
   24    HG2  9KK   3           HG1      MEB   3  -5.430   6.022   1.496
   25    HG3  9KK   3           HG2      MEB   3  -4.134   6.274   2.666
   26    HB2  9KK   3           HB1      MEB   3  -5.295   4.901   4.287
   27    HB3  9KK   3           HB2      MEB   3  -6.640   4.685   3.176
   28    HA   9KK   3           HA       MEB   3  -5.130   3.509   1.606
   29    HM1  9KK   3           HM1      MEB   3  -6.298   2.717   5.303
   30    HM3  9KK   3           HM3      MEB   3  -5.066   1.458   5.224
   31    HM2  9KK   3           HM2      MEB   3  -4.593   3.157   5.200
   32    H    CYS   4           HN       CYS   4  -3.199   3.958   0.815
   33    HA   CYS   4           HA       CYS   4  -0.843   3.587   2.428
   34    HB2  CYS   4           HB2      CYS   4  -0.849   2.877   0.068
   35    HB3  CYS   4           HB1      CYS   4  -1.095   4.550  -0.430
   36    H    THR   5           HN       THR   5  -0.879   5.183   3.970
   37    HA   THR   5           HA       THR   5  -1.104   7.961   3.173
   38    HB   THR   5           HB       THR   5  -0.718   8.321   5.688
   39    HG1  THR   5           HG1      THR   5  -1.009   6.469   6.970
   40   HG21  THR   5          HG21      THR   5  -3.096   6.695   4.779
   41   HG22  THR   5          HG22      THR   5  -2.929   8.447   4.656
   42   HG23  THR   5          HG23      THR   5  -3.022   7.678   6.241
   43    H    TRP   6           HN       TRP   6   1.025   6.972   1.908
   44    HA   TRP   6           HA       TRP   6   3.451   7.412   3.422
   45    HB2  TRP   6           HB2      TRP   6   3.156   5.696   1.548
   46    HB3  TRP   6           HB1      TRP   6   3.187   7.054   0.436
   47    HD1  TRP   6           HD1      TRP   6   5.525   8.333   0.118
   48    HE1  TRP   6           HE1      TRP   6   7.948   7.575   0.553
   49    HE3  TRP   6           HE3      TRP   6   4.584   4.280   3.076
   50    HZ2  TRP   6           HZ2      TRP   6   9.279   5.521   1.963
   51    HZ3  TRP   6           HZ3      TRP   6   6.485   2.968   3.923
   52    HH2  TRP   6           HH2      TRP   6   8.779   3.577   3.376
   53    H    AIB   7           HN       AIB   7   4.963   9.070   2.919
   54   HB11  AIB   7          HB11      AIB   7   6.390  12.251   2.155
   55   HB12  AIB   7          HB12      AIB   7   6.737  10.551   1.836
   56   HB13  AIB   7          HB13      AIB   7   6.295  11.072   3.462
   57   HB21  AIB   7          HB21      AIB   7   2.799  11.765   2.788
   58   HB22  AIB   7          HB22      AIB   7   4.066  12.980   2.618
   59   HB23  AIB   7          HB23      AIB   7   4.108  11.843   3.966
   60    H    GLY   8           HN       GLY   8   2.747  12.255   0.949
   61    HA2  GLY   8           HA2      GLY   8   2.556  13.230  -1.168
   62    HA3  GLY   8           HA1      GLY   8   4.039  12.415  -1.651
   63    H    CYS   9           HN       CYS   9   1.724  10.442  -0.100
   64    HA   CYS   9           HA       CYS   9   0.691   9.502  -2.686
   65    HB2  CYS   9           HB2      CYS   9   2.608   8.107  -1.673
   66    HB3  CYS   9           HB1      CYS   9   1.444   7.640  -0.441
   67    H    GLY  10           HN       GLY  10  -1.344   8.247  -2.453
   68    HA2  GLY  10           HA2      GLY  10  -2.756   8.199   0.013
   69    HA3  GLY  10           HA1      GLY  10  -3.257   9.573  -0.958
   70    H    LYS  11           HN       LYS  11  -2.527   6.146  -1.556
   71    HA   LYS  11           HA       LYS  11  -4.959   6.010  -3.196
   72    HB2  LYS  11           HB2      LYS  11  -2.517   4.223  -3.178
   73    HB3  LYS  11           HB1      LYS  11  -3.923   3.993  -4.209
   74    HG2  LYS  11           HG2      LYS  11  -3.479   6.095  -5.331
   75    HG3  LYS  11           HG1      LYS  11  -2.114   6.403  -4.255
   76    HD2  LYS  11           HD2      LYS  11  -1.299   5.553  -6.364
   77    HD3  LYS  11           HD1      LYS  11  -1.032   4.351  -5.101
   78    HE2  LYS  11           HE2      LYS  11  -1.842   3.260  -7.094
   79    HE3  LYS  11           HE1      LYS  11  -3.070   3.169  -5.836
   80    HZ1  LYS  11           HZ1      LYS  11  -4.245   4.990  -6.886
   81    HZ2  LYS  11           HZ2      LYS  11  -4.011   3.731  -7.991
   82    HZ3  LYS  11           HZ3      LYS  11  -3.048   5.116  -8.076
   83    HA   MMO  12           HA       MER  12  -6.136   2.896  -0.217
   84   HCB1  MMO  12           HB1      MER  12  -8.676   3.051  -0.175
   85   HCB2  MMO  12           HB2      MER  12  -8.538   4.194  -1.506
   86   HCG1  MMO  12           HG1      MER  12  -7.150   5.645  -0.091
   87   HCG2  MMO  12           HG2      MER  12  -7.339   4.501   1.239
   88   HCD1  MMO  12           HD1      MER  12  -8.917   6.224   1.605
   89   HCD2  MMO  12           HD2      MER  12  -9.817   4.821   1.030
   90   HH21  MMO  12          HH11      MER  12 -11.235   6.429   1.642
   91   HH22  MMO  12          HH12      MER  12 -12.416   7.478   0.924
   92   HH11  MMO  12          HH21      MER  12 -12.109   8.269  -1.210
   93    HC1  MMO  12           HM1      MER  12  -6.140   4.642  -3.983
   94    HC2  MMO  12           HM2      MER  12  -7.141   5.620  -2.910
   95    HC3  MMO  12           HM3      MER  12  -7.648   3.989  -3.354
   96    HE   MMO  12           HE       MER  12  -9.144   6.448  -1.164
   97   HH12  MMO  12          HH22      MER  12 -10.690   7.825  -2.109
   98    H    PHE  13           HN       PHE  13  -6.546   0.813  -0.116
   99    HA   PHE  13           HA       PHE  13  -7.390  -0.591  -2.564
  100    HB2  PHE  13           HB2      PHE  13  -5.155  -1.408  -0.688
  101    HB3  PHE  13           HB1      PHE  13  -5.673  -2.288  -2.120
  102    HD1  PHE  13           HD1      PHE  13  -4.881  -1.698  -4.265
  103    HD2  PHE  13           HD2      PHE  13  -4.067   0.805  -0.927
  104    HE1  PHE  13           HE1      PHE  13  -3.262  -0.431  -5.612
  105    HE2  PHE  13           HE2      PHE  13  -2.447   2.077  -2.266
  106    HZ   PHE  13           HZ       PHE  13  -2.045   1.464  -4.617
  107    H    THR  14           HN       THR  14  -8.550  -2.528  -2.206
  108    HA   THR  14           HA       THR  14  -9.870  -2.556   0.387
  109    HB   THR  14           HB       THR  14 -11.201  -2.619  -1.725
  110    HG1  THR  14           HG1      THR  14 -11.581  -3.979   0.489
  111   HG21  THR  14          HG21      THR  14 -10.128  -5.428  -1.958
  112   HG22  THR  14          HG22      THR  14  -9.707  -4.082  -3.015
  113   HG23  THR  14          HG23      THR  14 -11.359  -4.693  -2.981
  114    H    ARG  15           HN       ARG  15  -7.245  -4.089  -0.965
  115    HA   ARG  15           HA       ARG  15  -7.497  -6.301   0.954
  116    HB2  ARG  15           HB2      ARG  15  -6.214  -6.331  -1.778
  117    HB3  ARG  15           HB1      ARG  15  -5.974  -7.595  -0.585
  118    HG2  ARG  15           HG2      ARG  15  -8.498  -7.864  -0.578
  119    HG3  ARG  15           HG1      ARG  15  -8.500  -6.846  -2.018
  120    HD2  ARG  15           HD2      ARG  15  -6.987  -9.438  -1.713
  121    HD3  ARG  15           HD1      ARG  15  -8.515  -9.248  -2.564
  122    HE   ARG  15           HE       ARG  15  -6.984  -7.478  -3.858
  123   HH11  ARG  15          HH11      ARG  15  -6.319 -10.781  -2.874
  124   HH12  ARG  15          HH12      ARG  15  -5.296 -11.122  -4.233
  125   HH21  ARG  15          HH21      ARG  15  -5.633  -7.933  -5.661
  126   HH22  ARG  15          HH22      ARG  15  -4.893  -9.495  -5.815
  127    H    SER  16           HN       SER  16  -5.967  -6.439   2.417
  128    HA   SER  16           HA       SER  16  -4.132  -4.342   2.796
  129    HB2  SER  16           HB2      SER  16  -5.163  -5.733   4.610
  130    HB3  SER  16           HB1      SER  16  -4.104  -7.058   4.131
  131    HG   SER  16           HG       SER  16  -2.427  -5.202   4.437
  132    HG3  B3D  17           HG2      B3D  17  -2.194  -9.544   1.575
  133    HG2  B3D  17           HG1      B3D  17  -0.733  -9.463   0.605
  134    HA   B3D  17           HA       B3D  17  -1.026  -6.820   0.783
  135    H    B3D  17           HN       B3D  17  -3.741  -7.635   1.563
  136    HB1  B3D  17           HB1      B3D  17  -1.692  -8.762  -1.045
  137    HB2  B3D  17           HB2      B3D  17  -3.266  -8.028  -0.756
  138    H    GLU  18           HN       GLU  18  -3.764  -6.247  -1.759
  139    HA   GLU  18           HA       GLU  18  -2.022  -5.263  -3.784
  140    HB2  GLU  18           HB2      GLU  18  -4.732  -4.320  -2.842
  141    HB3  GLU  18           HB1      GLU  18  -3.906  -3.716  -4.274
  142    HG2  GLU  18           HG2      GLU  18  -3.995  -5.898  -5.293
  143    HG3  GLU  18           HG1      GLU  18  -4.697  -6.583  -3.832
  144    H    LEU  19           HN       LEU  19  -3.104  -4.092  -0.640
  145    HA   LEU  19           HA       LEU  19  -2.121  -1.459  -0.922
  146    HB2  LEU  19           HB2      LEU  19  -3.789  -2.094   0.754
  147    HB3  LEU  19           HB1      LEU  19  -2.615  -3.104   1.562
  148    HG   LEU  19           HG       LEU  19  -3.207  -0.785   2.555
  149   HD11  LEU  19          HD11      LEU  19  -0.942  -0.519   3.440
  150   HD12  LEU  19          HD12      LEU  19  -0.341  -1.641   2.217
  151   HD13  LEU  19          HD13      LEU  19  -1.469  -2.202   3.452
  152   HD21  LEU  19          HD21      LEU  19  -1.262   0.028   0.402
  153   HD22  LEU  19          HD22      LEU  19  -1.716   1.026   1.783
  154   HD23  LEU  19          HD23      LEU  19  -2.929   0.569   0.592
  155    H    GLN  20           HN       GLN  20  -0.741  -4.266   0.790
  156    HA   GLN  20           HA       GLN  20   1.688  -2.860   1.335
  157    HB2  GLN  20           HB2      GLN  20   0.793  -4.595   2.842
  158    HB3  GLN  20           HB1      GLN  20   1.083  -5.804   1.603
  159    HG2  GLN  20           HG2      GLN  20   3.450  -5.472   1.739
  160    HG3  GLN  20           HG1      GLN  20   3.238  -4.107   2.833
  161   HE21  GLN  20          HE21      GLN  20   1.121  -5.408   4.342
  162   HE22  GLN  20          HE22      GLN  20   1.894  -6.609   5.318
  163    H    HMR  21           HN       B3R  21   0.707  -5.319  -1.019
  164    HB   HMR  21           HB       B3R  21   3.384  -4.996  -2.208
  165    HB2  HMR  21           HG1      B3R  21   3.109  -7.300  -3.019
  166    HB3  HMR  21           HG2      B3R  21   1.377  -7.277  -2.709
  167    HG2  HMR  21           HD1      B3R  21   1.916  -7.112  -0.267
  168    HG3  HMR  21           HD2      B3R  21   3.602  -7.410  -0.691
  169    HD2  HMR  21           HE1      B3R  21   3.112  -9.569  -1.520
  170    HD3  HMR  21           HE2      B3R  21   1.375  -9.260  -1.499
  171    HE   HMR  21           HF       B3R  21   1.860  -9.019   1.065
  172    HH1  HMR  21          HH11      B3R  21   3.160 -11.386  -1.167
  173   HH21  HMR  21          HH21      B3R  21   2.772 -12.162   2.233
  174   HH22  HMR  21          HH22      B3R  21   2.135 -10.607   2.662
  175    HC1  HMR  21           HA1      B3R  21   1.955  -5.626  -4.402
  176    HC2  HMR  21           HA2      B3R  21   0.636  -4.915  -3.478
  177    HH2  HMR  21          HH12      B3R  21   3.356 -12.606   0.048
  178    H    HIS  22           HN       HIS  22   0.559  -2.788  -3.115
  179    HA   HIS  22           HA       HIS  22   1.962  -1.131  -4.962
  180    HB2  HIS  22           HB2      HIS  22  -0.269  -0.499  -4.580
  181    HB3  HIS  22           HB1      HIS  22  -0.100  -0.628  -2.831
  182    HD1  HIS  22           HD1      HIS  22   0.562   1.753  -5.695
  183    HD2  HIS  22           HD2      HIS  22   1.015   1.547  -1.555
  184    HE1  HIS  22           HE1      HIS  22   1.270   4.075  -4.919
  185    H    LYS  23           HN       LYS  23   1.885  -1.273  -1.387
  186    HA   LYS  23           HA       LYS  23   3.589   0.826  -0.829
  187    HB2  LYS  23           HB2      LYS  23   2.301  -0.541   0.840
  188    HB3  LYS  23           HB1      LYS  23   3.525  -1.790   0.685
  189    HG2  LYS  23           HG2      LYS  23   4.127  -0.635   2.609
  190    HG3  LYS  23           HG1      LYS  23   5.200   0.011   1.368
  191    HD2  LYS  23           HD2      LYS  23   4.370   1.842   2.686
  192    HD3  LYS  23           HD1      LYS  23   3.631   1.922   1.086
  193    HE2  LYS  23           HE2      LYS  23   1.583   0.946   1.938
  194    HE3  LYS  23           HE1      LYS  23   2.321   0.721   3.524
  195    HZ1  LYS  23           HZ1      LYS  23   2.545   3.139   3.691
  196    HZ2  LYS  23           HZ2      LYS  23   0.934   2.668   3.524
  197    HZ3  LYS  23           HZ3      LYS  23   1.763   3.321   2.201
  198    H    HMR  24           HN       B3R  24   4.382  -2.520  -1.559
  199    HB   HMR  24           HB       B3R  24   7.211  -1.793  -1.646
  200    HB2  HMR  24           HG1      B3R  24   5.731  -4.480  -1.945
  201    HB3  HMR  24           HG2      B3R  24   6.457  -3.897  -0.458
  202    HG2  HMR  24           HD1      B3R  24   8.674  -4.020  -1.510
  203    HG3  HMR  24           HD2      B3R  24   7.922  -4.678  -2.965
  204    HD2  HMR  24           HE1      B3R  24   7.083  -6.576  -1.691
  205    HD3  HMR  24           HE2      B3R  24   7.790  -5.912  -0.219
  206    HE   HMR  24           HF       B3R  24   9.663  -6.370  -2.374
  207    HH1  HMR  24          HH21      B3R  24  11.296  -7.918  -2.005
  208   HH21  HMR  24          HH11      B3R  24   8.128  -7.674   0.484
  209   HH22  HMR  24          HH12      B3R  24   9.375  -8.844   0.780
  210    HC1  HMR  24           HA1      B3R  24   6.922  -3.403  -3.889
  211    HC2  HMR  24           HA2      B3R  24   5.444  -2.460  -3.940
  212    HH2  HMR  24          HH22      B3R  24  11.181  -8.983  -0.641
  213    H    THR  25           HN       THR  25   5.569  -0.200  -4.106
  214    HA   THR  25           HA       THR  25   7.772   0.547  -5.819
  215    HB   THR  25           HB       THR  25   5.457   1.043  -6.512
  216    HG1  THR  25           HG1      THR  25   7.097   2.342  -7.373
  217   HG21  THR  25          HG21      THR  25   4.466   1.595  -4.351
  218   HG22  THR  25          HG22      THR  25   4.254   2.927  -5.486
  219   HG23  THR  25          HG23      THR  25   5.490   3.027  -4.235
  220    H    HIS  26           HN       HIS  26   6.616   1.377  -2.600
  221    HA   HIS  26           HA       HIS  26   8.529   3.577  -2.430
  222    HB2  HIS  26           HB2      HIS  26   6.774   2.473  -0.230
  223    HB3  HIS  26           HB1      HIS  26   7.663   3.988  -0.206
  224    HD1  HIS  26           HD1      HIS  26   6.715   5.750  -2.265
  225    HD2  HIS  26           HD2      HIS  26   4.225   2.770  -0.758
  226    HE1  HIS  26           HE1      HIS  26   4.316   6.492  -2.738
  227    HG   B3T  27           HG       B3T  27   9.792  -1.498   1.493
  228   HOD1  B3T  27           HD1      B3T  27   7.313  -0.769   0.286
  229   H1D2  B3T  27          HD21      B3T  27   8.462  -0.091   3.013
  230   H2D2  B3T  27          HD22      B3T  27   8.270   1.100   1.728
  231   H3D2  B3T  27          HD23      B3T  27   9.871   0.769   2.389
  232    HA   B3T  27           HA       B3T  27  10.606   0.384   0.091
  233    H    B3T  27           H        B3T  27   7.909   0.396  -1.083
  234    HB1  B3T  27           HA1      B3T  27  10.033  -1.000  -2.154
  235    HB2  B3T  27           HA2      B3T  27   9.559  -2.182  -0.940
  236    H    GLY  28           HN       GLY  28  11.193  -3.629  -1.287
  237    HA2  GLY  28           HA2      GLY  28  13.354  -4.452  -1.361
  238    HA3  GLY  28           HA1      GLY  28  13.951  -2.802  -1.350
  239    H    GLU  29           HN       GLU  29  13.485  -1.662   0.832
  240    HA   GLU  29           HA       GLU  29  14.966  -3.109   2.790
  241    HB2  GLU  29           HB2      GLU  29  14.693  -1.062   4.159
  242    HB3  GLU  29           HB1      GLU  29  15.288  -0.724   2.541
  243    HG2  GLU  29           HG2      GLU  29  12.876  -0.225   1.927
  244    HG3  GLU  29           HG1      GLU  29  12.553  -0.240   3.660
  245    H    LYS  30           HN       LYS  30  11.682  -2.941   2.065
  246    HA   LYS  30           HA       LYS  30  11.044  -4.379   4.516
  247    HB2  LYS  30           HB2      LYS  30  10.472  -2.011   4.958
  248    HB3  LYS  30           HB1      LYS  30   9.429  -2.009   3.546
  249    HG2  LYS  30           HG2      LYS  30   8.004  -3.693   4.586
  250    HG3  LYS  30           HG1      LYS  30   9.058  -3.707   6.002
  251    HD2  LYS  30           HD2      LYS  30   8.557  -1.354   6.412
  252    HD3  LYS  30           HD1      LYS  30   7.529  -1.312   4.976
  253    HE2  LYS  30           HE2      LYS  30   7.082  -3.060   7.390
  254    HE3  LYS  30           HE1      LYS  30   6.241  -1.547   7.062
  255    HZ1  LYS  30           HZ1      LYS  30   5.349  -2.522   5.040
  256    HZ2  LYS  30           HZ2      LYS  30   4.927  -3.453   6.389
  257    HZ3  LYS  30           HZ3      LYS  30   6.159  -3.971   5.358
  258    HN1  NH2  31           HN1      NH2  31  10.797  -6.225   3.347
  259    HN2  NH2  31           HN2      NH2  31   9.573  -6.461   2.151
  Start of MODEL    3
    1    H2   PRO   1           HT1      PRO   1 -11.050   0.002   4.980
    2    H3   PRO   1           HT2      PRO   1 -11.699  -1.268   4.188
    3    HA   PRO   1           HA       PRO   1 -10.336  -1.167   2.585
    4    HB2  PRO   1           HB2      PRO   1  -9.774   1.516   1.979
    5    HB3  PRO   1           HB1      PRO   1 -10.915   0.460   1.126
    6    HG2  PRO   1           HG2      PRO   1 -11.416   2.458   3.271
    7    HG3  PRO   1           HG1      PRO   1 -12.441   2.005   1.898
    8    HD2  PRO   1           HD2      PRO   1 -13.023   1.166   4.364
    9    HD3  PRO   1           HD1      PRO   1 -13.248   0.098   2.969
   10    H    PHE   2           HN       PHE   2  -8.056  -0.276   2.097
   11    HA   PHE   2           HA       PHE   2  -6.731   0.475   4.621
   12    HB2  PHE   2           HB2      PHE   2  -5.630  -1.366   2.480
   13    HB3  PHE   2           HB1      PHE   2  -4.850  -0.945   4.001
   14    HD1  PHE   2           HD1      PHE   2  -7.344  -3.017   2.378
   15    HD2  PHE   2           HD2      PHE   2  -5.696  -1.844   6.122
   16    HE1  PHE   2           HE1      PHE   2  -8.416  -4.953   3.456
   17    HE2  PHE   2           HE2      PHE   2  -6.759  -3.779   7.201
   18    HZ   PHE   2           HZ       PHE   2  -8.107  -5.341   5.871
   19    HE3  9KK   3           HE3      MEB   3  -4.842   9.194   3.404
   20    HE2  9KK   3           HE2      MEB   3  -3.377   8.314   2.968
   21    HE1  9KK   3           HE1      MEB   3  -4.749   8.351   1.859
   22    HD2  9KK   3           HD1      MEB   3  -4.694   7.047   4.579
   23    HD3  9KK   3           HD2      MEB   3  -6.088   7.106   3.488
   24    HG2  9KK   3           HG1      MEB   3  -4.828   5.871   1.796
   25    HG3  9KK   3           HG2      MEB   3  -3.422   5.834   2.861
   26    HB2  9KK   3           HB1      MEB   3  -4.655   4.521   4.481
   27    HB3  9KK   3           HB2      MEB   3  -6.096   4.598   3.477
   28    HA   9KK   3           HA       MEB   3  -4.924   3.330   1.709
   29    HM1  9KK   3           HM1      MEB   3  -4.988   1.091   5.228
   30    HM3  9KK   3           HM3      MEB   3  -4.267   2.698   5.250
   31    HM2  9KK   3           HM2      MEB   3  -6.016   2.517   5.381
   32    H    CYS   4           HN       CYS   4  -3.023   3.883   0.862
   33    HA   CYS   4           HA       CYS   4  -0.647   2.630   1.548
   34    HB2  CYS   4           HB2      CYS   4  -0.749   3.431  -0.634
   35    HB3  CYS   4           HB1      CYS   4  -1.329   5.017  -0.129
   36    H    THR   5           HN       THR   5  -1.702   5.932   2.249
   37    HA   THR   5           HA       THR   5  -1.313   7.324   3.979
   38    HB   THR   5           HB       THR   5   0.249   5.127   5.348
   39    HG1  THR   5           HG1      THR   5  -1.604   4.068   5.168
   40   HG21  THR   5          HG21      THR   5  -1.437   7.407   6.403
   41   HG22  THR   5          HG22      THR   5   0.326   7.329   6.426
   42   HG23  THR   5          HG23      THR   5  -0.618   6.191   7.388
   43    H    TRP   6           HN       TRP   6   0.844   6.462   1.810
   44    HA   TRP   6           HA       TRP   6   3.219   7.638   2.932
   45    HB2  TRP   6           HB2      TRP   6   3.161   5.918   1.050
   46    HB3  TRP   6           HB1      TRP   6   2.621   7.223   0.007
   47    HD1  TRP   6           HD1      TRP   6   4.414   9.169  -0.544
   48    HE1  TRP   6           HE1      TRP   6   6.991   9.146  -0.501
   49    HE3  TRP   6           HE3      TRP   6   5.132   4.970   2.268
   50    HZ2  TRP   6           HZ2      TRP   6   9.051   7.546   0.585
   51    HZ3  TRP   6           HZ3      TRP   6   7.430   4.260   2.769
   52    HH2  TRP   6           HH2      TRP   6   9.346   5.519   1.944
   53    H    AIB   7           HN       AIB   7   3.905   9.684   2.725
   54   HB11  AIB   7          HB11      AIB   7   4.983  11.912   2.185
   55   HB12  AIB   7          HB12      AIB   7   4.225  11.883   3.777
   56   HB13  AIB   7          HB13      AIB   7   3.943  13.243   2.692
   57   HB21  AIB   7          HB21      AIB   7   0.810  11.360   2.609
   58   HB22  AIB   7          HB22      AIB   7   1.551  12.929   2.930
   59   HB23  AIB   7          HB23      AIB   7   1.849  11.574   4.018
   60    H    GLY   8           HN       GLY   8   0.812  12.395   1.009
   61    HA2  GLY   8           HA2      GLY   8   0.490  13.621  -0.930
   62    HA3  GLY   8           HA1      GLY   8   2.198  13.440  -1.297
   63    H    CYS   9           HN       CYS   9   0.886  10.429  -0.601
   64    HA   CYS   9           HA       CYS   9   0.933   9.760  -3.428
   65    HB2  CYS   9           HB2      CYS   9   2.060   8.360  -1.664
   66    HB3  CYS   9           HB1      CYS   9   0.461   7.903  -1.090
   67    H    GLY  10           HN       GLY  10  -1.335   9.073  -0.743
   68    HA2  GLY  10           HA2      GLY  10  -3.631   9.096  -0.693
   69    HA3  GLY  10           HA1      GLY  10  -3.578  10.064  -2.155
   70    H    LYS  11           HN       LYS  11  -2.981   6.706  -1.142
   71    HA   LYS  11           HA       LYS  11  -4.613   5.833  -3.414
   72    HB2  LYS  11           HB2      LYS  11  -1.965   4.650  -2.552
   73    HB3  LYS  11           HB1      LYS  11  -3.043   3.917  -3.731
   74    HG2  LYS  11           HG2      LYS  11  -1.895   6.675  -4.059
   75    HG3  LYS  11           HG1      LYS  11  -1.103   5.220  -4.667
   76    HD2  LYS  11           HD2      LYS  11  -2.974   4.729  -6.088
   77    HD3  LYS  11           HD1      LYS  11  -3.915   6.037  -5.378
   78    HE2  LYS  11           HE2      LYS  11  -1.351   6.412  -6.918
   79    HE3  LYS  11           HE1      LYS  11  -2.964   6.583  -7.605
   80    HZ1  LYS  11           HZ1      LYS  11  -3.379   8.343  -5.929
   81    HZ2  LYS  11           HZ2      LYS  11  -2.159   8.730  -7.031
   82    HZ3  LYS  11           HZ3      LYS  11  -1.753   8.246  -5.463
   83    HA   MMO  12           HA       MER  12  -5.910   2.936  -0.238
   84   HCB1  MMO  12           HB1      MER  12  -8.387   3.288  -0.103
   85   HCB2  MMO  12           HB2      MER  12  -8.282   4.274  -1.554
   86   HCG1  MMO  12           HG1      MER  12  -6.792   5.827  -0.372
   87   HCG2  MMO  12           HG2      MER  12  -6.952   4.846   1.086
   88   HCD1  MMO  12           HD1      MER  12  -8.449   6.767   1.158
   89   HCD2  MMO  12           HD2      MER  12  -9.352   5.254   1.111
   90   HH21  MMO  12          HH11      MER  12 -10.171   7.741   1.363
   91   HH22  MMO  12          HH12      MER  12 -11.316   8.726   0.513
   92   HH11  MMO  12          HH21      MER  12 -11.642   8.434  -1.741
   93    HC1  MMO  12           HM1      MER  12  -6.629   5.504  -3.313
   94    HC2  MMO  12           HM2      MER  12  -7.256   3.865  -3.484
   95    HC3  MMO  12           HM3      MER  12  -5.651   4.264  -4.096
   96    HE   MMO  12           HE       MER  12  -9.244   5.929  -1.491
   97   HH12  MMO  12          HH22      MER  12 -10.755   7.214  -2.600
   98    H    PHE  13           HN       PHE  13  -6.345   0.839  -0.164
   99    HA   PHE  13           HA       PHE  13  -7.373  -0.468  -2.598
  100    HB2  PHE  13           HB2      PHE  13  -5.090  -1.379  -0.830
  101    HB3  PHE  13           HB1      PHE  13  -5.741  -2.290  -2.186
  102    HD1  PHE  13           HD1      PHE  13  -5.092  -1.817  -4.401
  103    HD2  PHE  13           HD2      PHE  13  -3.942   0.788  -1.242
  104    HE1  PHE  13           HE1      PHE  13  -3.542  -0.673  -5.921
  105    HE2  PHE  13           HE2      PHE  13  -2.381   1.937  -2.758
  106    HZ   PHE  13           HZ       PHE  13  -2.210   1.258  -5.093
  107    H    THR  14           HN       THR  14  -8.500  -2.457  -2.247
  108    HA   THR  14           HA       THR  14  -9.839  -2.461   0.345
  109    HB   THR  14           HB       THR  14 -11.208  -2.394  -1.729
  110    HG1  THR  14           HG1      THR  14 -11.466  -4.629   0.016
  111   HG21  THR  14          HG21      THR  14 -10.193  -5.207  -2.149
  112   HG22  THR  14          HG22      THR  14  -9.788  -3.811  -3.147
  113   HG23  THR  14          HG23      THR  14 -11.449  -4.406  -3.094
  114    H    ARG  15           HN       ARG  15  -7.199  -3.917  -0.855
  115    HA   ARG  15           HA       ARG  15  -7.558  -6.227   0.918
  116    HB2  ARG  15           HB2      ARG  15  -6.349  -6.217  -1.847
  117    HB3  ARG  15           HB1      ARG  15  -6.077  -7.514  -0.692
  118    HG2  ARG  15           HG2      ARG  15  -8.383  -8.092  -0.678
  119    HG3  ARG  15           HG1      ARG  15  -8.808  -6.652  -1.603
  120    HD2  ARG  15           HD2      ARG  15  -8.814  -8.653  -3.008
  121    HD3  ARG  15           HD1      ARG  15  -7.577  -7.510  -3.523
  122    HE   ARG  15           HE       ARG  15  -6.491  -9.404  -1.722
  123   HH11  ARG  15          HH11      ARG  15  -7.646  -9.115  -5.012
  124   HH12  ARG  15          HH12      ARG  15  -6.573 -10.332  -5.627
  125   HH21  ARG  15          HH21      ARG  15  -5.078 -10.995  -2.527
  126   HH22  ARG  15          HH22      ARG  15  -5.110 -11.400  -4.215
  127    H    SER  16           HN       SER  16  -6.101  -6.255   2.456
  128    HA   SER  16           HA       SER  16  -4.162  -4.243   2.712
  129    HB2  SER  16           HB2      SER  16  -3.400  -5.671   4.688
  130    HB3  SER  16           HB1      SER  16  -5.084  -5.141   4.704
  131    HG   SER  16           HG       SER  16  -4.012  -7.686   4.409
  132    HG3  B3D  17           HG2      B3D  17  -1.624  -8.953   2.670
  133    HG2  B3D  17           HG1      B3D  17  -2.543  -9.771   1.415
  134    HA   B3D  17           HA       B3D  17  -1.147  -7.048   0.999
  135    H    B3D  17           HN       B3D  17  -3.964  -7.580   1.655
  136    HB1  B3D  17           HB1      B3D  17  -1.896  -8.978  -0.811
  137    HB2  B3D  17           HB2      B3D  17  -3.406  -8.095  -0.641
  138    H    GLU  18           HN       GLU  18  -3.704  -6.388  -1.809
  139    HA   GLU  18           HA       GLU  18  -1.675  -5.611  -3.684
  140    HB2  GLU  18           HB2      GLU  18  -4.508  -4.643  -3.274
  141    HB3  GLU  18           HB1      GLU  18  -3.468  -4.151  -4.604
  142    HG2  GLU  18           HG2      GLU  18  -4.348  -6.972  -4.037
  143    HG3  GLU  18           HG1      GLU  18  -5.054  -5.902  -5.244
  144    H    LEU  19           HN       LEU  19  -3.019  -4.355  -0.737
  145    HA   LEU  19           HA       LEU  19  -2.093  -1.694  -1.032
  146    HB2  LEU  19           HB2      LEU  19  -3.849  -2.347   0.545
  147    HB3  LEU  19           HB1      LEU  19  -2.704  -3.312   1.441
  148    HG   LEU  19           HG       LEU  19  -3.430  -0.968   2.317
  149   HD11  LEU  19          HD11      LEU  19  -1.301  -0.714   3.449
  150   HD12  LEU  19          HD12      LEU  19  -0.537  -1.799   2.289
  151   HD13  LEU  19          HD13      LEU  19  -1.780  -2.407   3.382
  152   HD21  LEU  19          HD21      LEU  19  -1.219  -0.197   0.418
  153   HD22  LEU  19          HD22      LEU  19  -1.943   0.842   1.645
  154   HD23  LEU  19          HD23      LEU  19  -2.911   0.275   0.289
  155    H    GLN  20           HN       GLN  20  -0.778  -4.482   0.753
  156    HA   GLN  20           HA       GLN  20   1.645  -3.178   1.425
  157    HB2  GLN  20           HB2      GLN  20   0.734  -5.138   2.649
  158    HB3  GLN  20           HB1      GLN  20   1.118  -6.144   1.260
  159    HG2  GLN  20           HG2      GLN  20   3.489  -5.536   1.506
  160    HG3  GLN  20           HG1      GLN  20   3.080  -4.611   2.946
  161   HE21  GLN  20          HE21      GLN  20   2.473  -5.714   4.829
  162   HE22  GLN  20          HE22      GLN  20   2.815  -7.396   5.043
  163    H    HMR  21           HN       B3R  21   0.864  -5.624  -1.061
  164    HB   HMR  21           HB       B3R  21   3.455  -4.985  -2.296
  165    HB2  HMR  21           HG1      B3R  21   3.176  -7.151  -3.454
  166    HB3  HMR  21           HG2      B3R  21   1.475  -7.228  -3.029
  167    HG2  HMR  21           HD1      B3R  21   2.641  -8.809  -1.696
  168    HG3  HMR  21           HD2      B3R  21   2.132  -7.484  -0.652
  169    HD2  HMR  21           HE1      B3R  21   4.371  -6.531  -0.739
  170    HD3  HMR  21           HE2      B3R  21   4.889  -7.826  -1.816
  171    HE   HMR  21           HF       B3R  21   3.900  -8.409   0.904
  172    HH1  HMR  21          HH11      B3R  21   6.407  -8.624  -1.543
  173   HH21  HMR  21          HH21      B3R  21   6.689 -10.446   1.433
  174   HH22  HMR  21          HH22      B3R  21   5.185  -9.884   2.095
  175    HC1  HMR  21           HA1      B3R  21   1.967  -5.393  -4.517
  176    HC2  HMR  21           HA2      B3R  21   0.683  -4.787  -3.480
  177    HH2  HMR  21          HH12      B3R  21   7.377  -9.734  -0.628
  178    H    HIS  22           HN       HIS  22   0.584  -2.695  -2.962
  179    HA   HIS  22           HA       HIS  22   1.879  -0.919  -4.777
  180    HB2  HIS  22           HB2      HIS  22  -0.413  -0.487  -4.247
  181    HB3  HIS  22           HB1      HIS  22  -0.075  -0.473  -2.520
  182    HD1  HIS  22           HD1      HIS  22  -0.029   1.737  -5.546
  183    HD2  HIS  22           HD2      HIS  22   1.210   1.825  -1.569
  184    HE1  HIS  22           HE1      HIS  22   0.644   4.138  -5.046
  185    H    LYS  23           HN       LYS  23   1.871  -1.113  -1.191
  186    HA   LYS  23           HA       LYS  23   3.553   1.029  -0.704
  187    HB2  LYS  23           HB2      LYS  23   2.359  -0.150   1.080
  188    HB3  LYS  23           HB1      LYS  23   3.384  -1.558   0.853
  189    HG2  LYS  23           HG2      LYS  23   4.013  -0.208   2.814
  190    HG3  LYS  23           HG1      LYS  23   5.313  -0.356   1.634
  191    HD2  LYS  23           HD2      LYS  23   5.148   1.925   2.531
  192    HD3  LYS  23           HD1      LYS  23   4.839   1.879   0.795
  193    HE2  LYS  23           HE2      LYS  23   3.240   3.351   1.823
  194    HE3  LYS  23           HE1      LYS  23   2.398   1.899   1.288
  195    HZ1  LYS  23           HZ1      LYS  23   2.435   1.074   3.549
  196    HZ2  LYS  23           HZ2      LYS  23   1.702   2.596   3.501
  197    HZ3  LYS  23           HZ3      LYS  23   3.287   2.439   4.067
  198    H    HMR  24           HN       B3R  24   4.436  -2.356  -1.260
  199    HB   HMR  24           HB       B3R  24   7.200  -1.453  -1.593
  200    HB2  HMR  24           HG1      B3R  24   5.942  -4.263  -1.470
  201    HB3  HMR  24           HG2      B3R  24   6.807  -3.473  -0.161
  202    HG2  HMR  24           HD1      B3R  24   8.852  -3.506  -1.550
  203    HG3  HMR  24           HD2      B3R  24   7.965  -4.422  -2.767
  204    HD2  HMR  24           HE1      B3R  24   7.498  -6.144  -1.029
  205    HD3  HMR  24           HE2      B3R  24   8.576  -5.264   0.054
  206    HE   HMR  24           HF       B3R  24   9.908  -5.793  -2.367
  207    HH1  HMR  24          HH21      B3R  24  11.458  -7.461  -2.503
  208   HH21  HMR  24          HH11      B3R  24   8.753  -7.452   0.495
  209   HH22  HMR  24          HH12      B3R  24   9.944  -8.706   0.405
  210    HC1  HMR  24           HA1      B3R  24   6.810  -3.323  -3.645
  211    HC2  HMR  24           HA2      B3R  24   5.333  -2.375  -3.675
  212    HH2  HMR  24          HH22      B3R  24  11.482  -8.711  -1.303
  213    H    THR  25           HN       THR  25   5.423  -0.170  -4.105
  214    HA   THR  25           HA       THR  25   7.579   0.425  -5.944
  215    HB   THR  25           HB       THR  25   5.153   0.764  -6.531
  216    HG1  THR  25           HG1      THR  25   7.029   1.860  -7.545
  217   HG21  THR  25          HG21      THR  25   4.106   2.879  -5.825
  218   HG22  THR  25          HG22      THR  25   5.436   3.148  -4.701
  219   HG23  THR  25          HG23      THR  25   4.354   1.777  -4.474
  220    H    HIS  26           HN       HIS  26   6.544   1.421  -2.766
  221    HA   HIS  26           HA       HIS  26   8.358   3.717  -2.823
  222    HB2  HIS  26           HB2      HIS  26   6.655   2.702  -0.539
  223    HB3  HIS  26           HB1      HIS  26   7.559   4.206  -0.564
  224    HD1  HIS  26           HD1      HIS  26   6.637   5.882  -2.725
  225    HD2  HIS  26           HD2      HIS  26   4.093   3.054  -1.014
  226    HE1  HIS  26           HE1      HIS  26   4.248   6.659  -3.196
  227    HG   B3T  27           HG       B3T  27  10.126  -0.301   1.914
  228   HOD1  B3T  27           HD1      B3T  27   8.129  -1.199   1.503
  229   H1D2  B3T  27          HD21      B3T  27   8.752   2.352   1.491
  230   H2D2  B3T  27          HD22      B3T  27  10.454   2.114   1.879
  231   H3D2  B3T  27          HD23      B3T  27   9.214   1.676   3.053
  232    HA   B3T  27           HA       B3T  27  10.681   0.795  -0.188
  233    H    B3T  27           H        B3T  27   7.801   0.834  -0.827
  234    HB1  B3T  27           HA1      B3T  27   9.549  -1.063  -1.700
  235    HB2  B3T  27           HA2      B3T  27   9.046  -1.702  -0.142
  236    H    GLY  28           HN       GLY  28  11.025  -2.566  -2.299
  237    HA2  GLY  28           HA2      GLY  28  13.104  -3.529  -2.422
  238    HA3  GLY  28           HA1      GLY  28  13.633  -2.364  -1.220
  239    H    GLU  29           HN       GLU  29  13.856  -2.986   0.879
  240    HA   GLU  29           HA       GLU  29  13.830  -5.819   1.424
  241    HB2  GLU  29           HB2      GLU  29  14.509  -3.467   3.199
  242    HB3  GLU  29           HB1      GLU  29  14.745  -5.149   3.631
  243    HG2  GLU  29           HG2      GLU  29  16.083  -3.767   1.323
  244    HG3  GLU  29           HG1      GLU  29  16.807  -4.031   2.908
  245    H    LYS  30           HN       LYS  30  11.846  -3.049   2.111
  246    HA   LYS  30           HA       LYS  30  10.327  -4.555   4.118
  247    HB2  LYS  30           HB2      LYS  30  10.252  -1.622   3.392
  248    HB3  LYS  30           HB1      LYS  30   9.252  -2.372   4.626
  249    HG2  LYS  30           HG2      LYS  30  11.248  -2.977   5.885
  250    HG3  LYS  30           HG1      LYS  30  12.261  -2.241   4.641
  251    HD2  LYS  30           HD2      LYS  30  11.268  -0.066   5.091
  252    HD3  LYS  30           HD1      LYS  30  10.194  -0.788   6.294
  253    HE2  LYS  30           HE2      LYS  30  12.136  -1.458   7.620
  254    HE3  LYS  30           HE1      LYS  30  13.206  -0.735   6.421
  255    HZ1  LYS  30           HZ1      LYS  30  12.790   0.691   8.373
  256    HZ2  LYS  30           HZ2      LYS  30  11.158   0.776   7.943
  257    HZ3  LYS  30           HZ3      LYS  30  12.337   1.414   6.915
  258    HN1  NH2  31           HN1      NH2  31   9.263  -5.926   2.719
  259    HN2  NH2  31           HN2      NH2  31   7.964  -5.385   1.713
  Start of MODEL    4
    1    H2   PRO   1           HT1      PRO   1 -11.370   1.142   4.365
    2    H3   PRO   1           HT2      PRO   1 -12.286  -0.104   3.856
    3    HA   PRO   1           HA       PRO   1 -10.880  -0.724   2.423
    4    HB2  PRO   1           HB2      PRO   1 -10.129   1.942   1.367
    5    HB3  PRO   1           HB1      PRO   1 -10.588   0.467   0.496
    6    HG2  PRO   1           HG2      PRO   1 -12.292   2.512   0.773
    7    HG3  PRO   1           HG1      PRO   1 -12.846   0.829   0.809
    8    HD2  PRO   1           HD2      PRO   1 -12.462   2.751   3.066
    9    HD3  PRO   1           HD1      PRO   1 -13.709   1.517   2.844
   10    H    PHE   2           HN       PHE   2  -8.533  -0.729   2.022
   11    HA   PHE   2           HA       PHE   2  -7.139   0.096   4.429
   12    HB2  PHE   2           HB2      PHE   2  -6.253  -1.553   2.049
   13    HB3  PHE   2           HB1      PHE   2  -5.258  -1.234   3.467
   14    HD1  PHE   2           HD1      PHE   2  -8.033  -3.134   2.114
   15    HD2  PHE   2           HD2      PHE   2  -5.823  -2.229   5.633
   16    HE1  PHE   2           HE1      PHE   2  -9.013  -5.093   3.230
   17    HE2  PHE   2           HE2      PHE   2  -6.798  -4.189   6.754
   18    HZ   PHE   2           HZ       PHE   2  -8.374  -5.622   5.570
   19    HE3  9KK   3           HE3      MEB   3  -6.724   7.159   3.101
   20    HE2  9KK   3           HE2      MEB   3  -6.782   7.827   4.732
   21    HE1  9KK   3           HE1      MEB   3  -5.404   6.849   4.228
   22    HD2  9KK   3           HD1      MEB   3  -6.898   5.550   5.648
   23    HD3  9KK   3           HD2      MEB   3  -8.247   5.895   4.558
   24    HG2  9KK   3           HG1      MEB   3  -7.373   3.679   4.090
   25    HG3  9KK   3           HG2      MEB   3  -7.024   4.756   2.740
   26    HB2  9KK   3           HB1      MEB   3  -4.755   5.094   3.622
   27    HB3  9KK   3           HB2      MEB   3  -5.107   3.959   4.917
   28    HA   9KK   3           HA       MEB   3  -5.178   3.252   1.976
   29    HM1  9KK   3           HM1      MEB   3  -4.532   2.040   5.369
   30    HM3  9KK   3           HM3      MEB   3  -6.274   1.810   5.510
   31    HM2  9KK   3           HM2      MEB   3  -5.238   0.457   5.055
   32    H    CYS   4           HN       CYS   4  -3.228   3.956   1.305
   33    HA   CYS   4           HA       CYS   4  -0.861   2.690   2.261
   34    HB2  CYS   4           HB2      CYS   4  -0.988   3.329  -0.076
   35    HB3  CYS   4           HB1      CYS   4  -1.258   5.014   0.363
   36    H    THR   5           HN       THR   5  -1.908   6.101   2.268
   37    HA   THR   5           HA       THR   5  -1.447   7.835   3.658
   38    HB   THR   5           HB       THR   5  -0.944   5.863   5.872
   39    HG1  THR   5           HG1      THR   5  -3.465   6.192   5.929
   40   HG21  THR   5          HG21      THR   5  -2.151   7.519   7.204
   41   HG22  THR   5          HG22      THR   5  -2.435   8.493   5.761
   42   HG23  THR   5          HG23      THR   5  -0.793   8.270   6.367
   43    H    TRP   6           HN       TRP   6   0.712   6.840   2.153
   44    HA   TRP   6           HA       TRP   6   3.062   7.122   3.858
   45    HB2  TRP   6           HB2      TRP   6   2.929   5.509   1.890
   46    HB3  TRP   6           HB1      TRP   6   2.925   6.910   0.844
   47    HD1  TRP   6           HD1      TRP   6   5.230   8.386   0.785
   48    HE1  TRP   6           HE1      TRP   6   7.670   7.649   1.147
   49    HE3  TRP   6           HE3      TRP   6   4.392   3.925   3.128
   50    HZ2  TRP   6           HZ2      TRP   6   9.051   5.456   2.259
   51    HZ3  TRP   6           HZ3      TRP   6   6.327   2.566   3.798
   52    HH2  TRP   6           HH2      TRP   6   8.605   3.315   3.371
   53    H    AIB   7           HN       AIB   7   4.643   8.830   3.280
   54   HB11  AIB   7          HB11      AIB   7   5.909  12.123   2.758
   55   HB12  AIB   7          HB12      AIB   7   6.285  10.479   2.247
   56   HB13  AIB   7          HB13      AIB   7   5.940  10.817   3.942
   57   HB21  AIB   7          HB21      AIB   7   2.386  11.446   3.565
   58   HB22  AIB   7          HB22      AIB   7   3.602  12.714   3.437
   59   HB23  AIB   7          HB23      AIB   7   3.765  11.456   4.662
   60    H    GLY   8           HN       GLY   8   2.211  12.137   1.801
   61    HA2  GLY   8           HA2      GLY   8   1.723  13.200  -0.199
   62    HA3  GLY   8           HA1      GLY   8   3.262  12.642  -0.839
   63    H    CYS   9           HN       CYS   9   1.345  10.178   0.545
   64    HA   CYS   9           HA       CYS   9   0.163   9.474  -2.032
   65    HB2  CYS   9           HB2      CYS   9   2.442   8.489  -1.939
   66    HB3  CYS   9           HB1      CYS   9   1.970   7.627  -0.487
   67    H    GLY  10           HN       GLY  10  -1.880   9.779  -1.078
   68    HA2  GLY  10           HA2      GLY  10  -2.570   8.060   1.202
   69    HA3  GLY  10           HA1      GLY  10  -3.527   9.404   0.599
   70    H    LYS  11           HN       LYS  11  -2.111   6.679  -1.136
   71    HA   LYS  11           HA       LYS  11  -4.363   6.227  -2.755
   72    HB2  LYS  11           HB2      LYS  11  -2.007   4.458  -2.091
   73    HB3  LYS  11           HB1      LYS  11  -3.181   4.093  -3.345
   74    HG2  LYS  11           HG2      LYS  11  -1.596   6.639  -3.338
   75    HG3  LYS  11           HG1      LYS  11  -0.987   5.149  -4.062
   76    HD2  LYS  11           HD2      LYS  11  -2.970   5.066  -5.509
   77    HD3  LYS  11           HD1      LYS  11  -3.537   6.582  -4.804
   78    HE2  LYS  11           HE2      LYS  11  -1.651   7.769  -5.675
   79    HE3  LYS  11           HE1      LYS  11  -0.886   6.271  -6.198
   80    HZ1  LYS  11           HZ1      LYS  11  -1.907   7.414  -8.046
   81    HZ2  LYS  11           HZ2      LYS  11  -3.411   7.395  -7.278
   82    HZ3  LYS  11           HZ3      LYS  11  -2.694   5.942  -7.768
   83    HA   MMO  12           HA       MER  12  -6.211   3.074  -0.128
   84   HCB1  MMO  12           HB1      MER  12  -8.669   3.328  -0.523
   85   HCB2  MMO  12           HB2      MER  12  -8.300   4.349  -1.905
   86   HCG1  MMO  12           HG1      MER  12  -7.229   5.970  -0.457
   87   HCG2  MMO  12           HG2      MER  12  -7.506   4.929   0.938
   88   HCD1  MMO  12           HD1      MER  12  -9.184   6.667   0.879
   89   HCD2  MMO  12           HD2      MER  12  -9.932   5.102   0.556
   90   HH21  MMO  12          HH11      MER  12 -11.689   6.091   0.572
   91   HH22  MMO  12          HH12      MER  12 -12.954   6.654  -0.473
   92   HH11  MMO  12          HH21      MER  12 -12.471   7.321  -2.611
   93    HC1  MMO  12           HM1      MER  12  -5.268   4.675  -3.815
   94    HC2  MMO  12           HM2      MER  12  -6.448   5.778  -3.104
   95    HC3  MMO  12           HM3      MER  12  -6.924   4.138  -3.544
   96    HE   MMO  12           HE       MER  12  -9.174   6.524  -1.824
   97   HH12  MMO  12          HH22      MER  12 -10.835   7.276  -3.196
   98    H    PHE  13           HN       PHE  13  -6.812   0.981  -0.159
   99    HA   PHE  13           HA       PHE  13  -7.214  -0.322  -2.756
  100    HB2  PHE  13           HB2      PHE  13  -5.176  -1.122  -0.669
  101    HB3  PHE  13           HB1      PHE  13  -5.596  -2.091  -2.079
  102    HD1  PHE  13           HD1      PHE  13  -4.838  -1.496  -4.262
  103    HD2  PHE  13           HD2      PHE  13  -3.955   0.972  -0.911
  104    HE1  PHE  13           HE1      PHE  13  -3.152  -0.309  -5.592
  105    HE2  PHE  13           HE2      PHE  13  -2.258   2.165  -2.235
  106    HZ   PHE  13           HZ       PHE  13  -1.941   1.635  -4.583
  107    H    THR  14           HN       THR  14  -7.873  -2.621  -2.484
  108    HA   THR  14           HA       THR  14 -10.047  -2.647  -0.564
  109    HB   THR  14           HB       THR  14  -9.450  -4.634  -2.765
  110    HG1  THR  14           HG1      THR  14  -9.772  -2.673  -3.756
  111   HG21  THR  14          HG21      THR  14 -11.018  -5.464  -1.076
  112   HG22  THR  14          HG22      THR  14 -11.850  -5.143  -2.598
  113   HG23  THR  14          HG23      THR  14 -11.995  -4.007  -1.257
  114    H    ARG  15           HN       ARG  15  -7.075  -4.418  -1.208
  115    HA   ARG  15           HA       ARG  15  -7.610  -6.009   1.216
  116    HB2  ARG  15           HB2      ARG  15  -6.050  -6.762  -1.249
  117    HB3  ARG  15           HB1      ARG  15  -6.066  -7.706   0.229
  118    HG2  ARG  15           HG2      ARG  15  -8.461  -8.058  -0.004
  119    HG3  ARG  15           HG1      ARG  15  -8.465  -7.089  -1.481
  120    HD2  ARG  15           HD2      ARG  15  -6.949  -8.672  -2.533
  121    HD3  ARG  15           HD1      ARG  15  -6.889  -9.622  -1.052
  122    HE   ARG  15           HE       ARG  15  -9.561  -9.393  -1.864
  123   HH11  ARG  15          HH11      ARG  15  -6.566 -10.881  -2.882
  124   HH12  ARG  15          HH12      ARG  15  -7.344 -12.204  -3.688
  125   HH21  ARG  15          HH21      ARG  15 -10.596 -11.139  -2.922
  126   HH22  ARG  15          HH22      ARG  15  -9.637 -12.348  -3.715
  127    H    SER  16           HN       SER  16  -6.008  -6.274   2.689
  128    HA   SER  16           HA       SER  16  -4.171  -4.153   2.978
  129    HB2  SER  16           HB2      SER  16  -3.339  -5.551   4.928
  130    HB3  SER  16           HB1      SER  16  -5.056  -5.154   4.950
  131    HG   SER  16           HG       SER  16  -3.899  -7.564   4.959
  132    HG3  B3D  17           HG2      B3D  17  -1.354  -8.566   2.858
  133    HG2  B3D  17           HG1      B3D  17  -2.136  -9.550   1.629
  134    HA   B3D  17           HA       B3D  17  -1.094  -6.703   1.061
  135    H    B3D  17           HN       B3D  17  -3.847  -7.433   1.778
  136    HB1  B3D  17           HB1      B3D  17  -1.688  -8.788  -0.616
  137    HB2  B3D  17           HB2      B3D  17  -3.292  -8.096  -0.405
  138    H    GLU  18           HN       GLU  18  -3.852  -6.445  -1.575
  139    HA   GLU  18           HA       GLU  18  -2.251  -5.462  -3.666
  140    HB2  GLU  18           HB2      GLU  18  -4.729  -4.201  -2.485
  141    HB3  GLU  18           HB1      GLU  18  -4.085  -3.931  -4.098
  142    HG2  GLU  18           HG2      GLU  18  -4.597  -6.204  -4.724
  143    HG3  GLU  18           HG1      GLU  18  -5.124  -6.564  -3.083
  144    H    LEU  19           HN       LEU  19  -3.153  -4.147  -0.509
  145    HA   LEU  19           HA       LEU  19  -1.999  -1.608  -0.863
  146    HB2  LEU  19           HB2      LEU  19  -3.677  -2.168   0.851
  147    HB3  LEU  19           HB1      LEU  19  -2.504  -3.169   1.673
  148    HG   LEU  19           HG       LEU  19  -3.017  -0.827   2.610
  149   HD11  LEU  19          HD11      LEU  19  -1.223  -2.214   3.453
  150   HD12  LEU  19          HD12      LEU  19  -0.710  -0.529   3.363
  151   HD13  LEU  19          HD13      LEU  19  -0.170  -1.682   2.142
  152   HD21  LEU  19          HD21      LEU  19  -2.820   0.376   0.500
  153   HD22  LEU  19          HD22      LEU  19  -1.116  -0.067   0.402
  154   HD23  LEU  19          HD23      LEU  19  -1.684   0.979   1.700
  155    H    GLN  20           HN       GLN  20  -0.751  -4.449   0.906
  156    HA   GLN  20           HA       GLN  20   1.742  -3.288   1.496
  157    HB2  GLN  20           HB2      GLN  20   0.783  -5.254   2.681
  158    HB3  GLN  20           HB1      GLN  20   1.108  -6.232   1.257
  159    HG2  GLN  20           HG2      GLN  20   2.907  -6.708   2.600
  160    HG3  GLN  20           HG1      GLN  20   3.544  -5.444   1.554
  161   HE21  GLN  20          HE21      GLN  20   1.969  -3.388   3.079
  162   HE22  GLN  20          HE22      GLN  20   2.873  -3.140   4.529
  163    H    HMR  21           HN       B3R  21   0.869  -5.638  -1.063
  164    HB   HMR  21           HB       B3R  21   3.387  -4.809  -2.337
  165    HB2  HMR  21           HG1      B3R  21   3.292  -7.064  -3.477
  166    HB3  HMR  21           HG2      B3R  21   1.762  -7.405  -2.680
  167    HG2  HMR  21           HD1      B3R  21   2.858  -7.357  -0.514
  168    HG3  HMR  21           HD2      B3R  21   4.393  -6.964  -1.289
  169    HD2  HMR  21           HE1      B3R  21   4.366  -9.093  -2.465
  170    HD3  HMR  21           HE2      B3R  21   2.813  -9.490  -1.730
  171    HE   HMR  21           HF       B3R  21   4.237  -9.119   0.445
  172    HH1  HMR  21          HH11      B3R  21   5.141 -10.800  -2.491
  173   HH21  HMR  21          HH21      B3R  21   6.552 -11.711   0.586
  174   HH22  HMR  21          HH22      B3R  21   5.704 -10.504   1.498
  175    HC1  HMR  21           HA1      B3R  21   1.861  -5.595  -4.475
  176    HC2  HMR  21           HA2      B3R  21   0.607  -4.937  -3.425
  177    HH2  HMR  21          HH12      B3R  21   6.233 -11.878  -1.683
  178    H    HIS  22           HN       HIS  22   0.612  -2.816  -2.882
  179    HA   HIS  22           HA       HIS  22   1.800  -1.050  -4.793
  180    HB2  HIS  22           HB2      HIS  22  -0.403  -0.508  -4.142
  181    HB3  HIS  22           HB1      HIS  22  -0.024  -0.667  -2.432
  182    HD1  HIS  22           HD1      HIS  22   0.272   1.767  -5.312
  183    HD2  HIS  22           HD2      HIS  22   1.135   1.531  -1.238
  184    HE1  HIS  22           HE1      HIS  22   0.922   4.113  -4.564
  185    H    LYS  23           HN       LYS  23   2.039  -1.349  -1.229
  186    HA   LYS  23           HA       LYS  23   3.819   0.665  -0.688
  187    HB2  LYS  23           HB2      LYS  23   3.650  -2.079   0.556
  188    HB3  LYS  23           HB1      LYS  23   4.689  -0.807   1.180
  189    HG2  LYS  23           HG2      LYS  23   1.708  -0.540   0.879
  190    HG3  LYS  23           HG1      LYS  23   2.514  -1.053   2.363
  191    HD2  LYS  23           HD2      LYS  23   3.817   1.086   2.291
  192    HD3  LYS  23           HD1      LYS  23   2.793   1.592   0.946
  193    HE2  LYS  23           HE2      LYS  23   0.834   1.505   2.314
  194    HE3  LYS  23           HE1      LYS  23   1.733   0.774   3.641
  195    HZ1  LYS  23           HZ1      LYS  23   3.012   2.805   3.858
  196    HZ2  LYS  23           HZ2      LYS  23   1.359   3.132   4.010
  197    HZ3  LYS  23           HZ3      LYS  23   2.165   3.509   2.571
  198    H    HMR  24           HN       B3R  24   4.623  -2.648  -1.631
  199    HB   HMR  24           HB       B3R  24   7.384  -1.808  -2.012
  200    HB2  HMR  24           HG1      B3R  24   5.942  -4.495  -2.438
  201    HB3  HMR  24           HG2      B3R  24   6.833  -4.046  -0.994
  202    HG2  HMR  24           HD1      B3R  24   8.900  -3.955  -2.342
  203    HG3  HMR  24           HD2      B3R  24   7.975  -4.532  -3.731
  204    HD2  HMR  24           HE1      B3R  24   7.331  -6.523  -2.418
  205    HD3  HMR  24           HE2      B3R  24   8.372  -5.962  -1.112
  206    HE   HMR  24           HF       B3R  24   9.906  -6.089  -3.440
  207    HH1  HMR  24          HH21      B3R  24  11.305  -7.860  -3.831
  208   HH21  HMR  24          HH11      B3R  24   8.219  -8.237  -1.250
  209   HH22  HMR  24          HH12      B3R  24   9.278  -9.580  -1.540
  210    HC1  HMR  24           HA1      B3R  24   6.868  -3.185  -4.383
  211    HC2  HMR  24           HA2      B3R  24   5.408  -2.232  -4.179
  212    HH2  HMR  24          HH22      B3R  24  11.032  -9.362  -3.008
  213    H    THR  25           HN       THR  25   5.472  -0.034  -4.354
  214    HA   THR  25           HA       THR  25   7.604   0.887  -6.058
  215    HB   THR  25           HB       THR  25   5.286   1.417  -6.639
  216    HG1  THR  25           HG1      THR  25   6.971   2.865  -7.287
  217   HG21  THR  25          HG21      THR  25   4.040   3.128  -5.385
  218   HG22  THR  25          HG22      THR  25   5.295   3.119  -4.147
  219   HG23  THR  25          HG23      THR  25   4.318   1.677  -4.422
  220    H    HIS  26           HN       HIS  26   6.523   1.487  -2.764
  221    HA   HIS  26           HA       HIS  26   8.307   3.746  -2.440
  222    HB2  HIS  26           HB2      HIS  26   6.728   2.203  -0.369
  223    HB3  HIS  26           HB1      HIS  26   7.617   3.690  -0.068
  224    HD1  HIS  26           HD1      HIS  26   6.654   5.798  -1.748
  225    HD2  HIS  26           HD2      HIS  26   4.143   2.615  -0.784
  226    HE1  HIS  26           HE1      HIS  26   4.268   6.617  -2.100
  227    HG   B3T  27           HG       B3T  27  10.496  -1.369   0.943
  228   HOD1  B3T  27           HD1      B3T  27   8.775  -2.489   0.408
  229   H1D2  B3T  27          HD21      B3T  27  10.302   0.882   1.870
  230   H2D2  B3T  27          HD22      B3T  27   9.145  -0.206   2.635
  231   H3D2  B3T  27          HD23      B3T  27   8.602   0.936   1.406
  232    HA   B3T  27           HA       B3T  27  10.917   0.535  -0.507
  233    H    B3T  27           H        B3T  27   8.068   0.421  -1.252
  234    HB1  B3T  27           HA1      B3T  27  10.118  -0.741  -2.722
  235    HB2  B3T  27           HA2      B3T  27   9.807  -2.015  -1.550
  236    H    GLY  28           HN       GLY  28  11.515  -2.909  -3.147
  237    HA2  GLY  28           HA2      GLY  28  13.733  -3.394  -3.632
  238    HA3  GLY  28           HA1      GLY  28  14.225  -2.055  -2.608
  239    H    GLU  29           HN       GLU  29  14.291  -2.396  -0.301
  240    HA   GLU  29           HA       GLU  29  15.331  -5.018   0.281
  241    HB2  GLU  29           HB2      GLU  29  16.340  -2.871   1.137
  242    HB3  GLU  29           HB1      GLU  29  14.950  -2.720   2.202
  243    HG2  GLU  29           HG2      GLU  29  16.880  -3.652   3.355
  244    HG3  GLU  29           HG1      GLU  29  15.537  -4.794   3.305
  245    H    LYS  30           HN       LYS  30  12.560  -3.075   1.323
  246    HA   LYS  30           HA       LYS  30  11.527  -5.337   2.854
  247    HB2  LYS  30           HB2      LYS  30  10.465  -2.527   2.520
  248    HB3  LYS  30           HB1      LYS  30   9.735  -3.759   3.532
  249    HG2  LYS  30           HG2      LYS  30  11.643  -3.789   4.978
  250    HG3  LYS  30           HG1      LYS  30  12.530  -2.709   3.898
  251    HD2  LYS  30           HD2      LYS  30  10.869  -0.953   4.303
  252    HD3  LYS  30           HD1      LYS  30   9.994  -2.036   5.388
  253    HE2  LYS  30           HE2      LYS  30  11.844  -2.091   6.914
  254    HE3  LYS  30           HE1      LYS  30  12.851  -1.174   5.795
  255    HZ1  LYS  30           HZ1      LYS  30  11.461   0.728   6.079
  256    HZ2  LYS  30           HZ2      LYS  30  11.900   0.172   7.616
  257    HZ3  LYS  30           HZ3      LYS  30  10.352  -0.140   7.015
  258    HN1  NH2  31           HN1      NH2  31  10.932  -6.783   1.315
  259    HN2  NH2  31           HN2      NH2  31   9.660  -6.514   0.178
  Start of MODEL    5
    1    H2   PRO   1           HT1      PRO   1 -11.081  -0.097   5.285
    2    H3   PRO   1           HT2      PRO   1 -12.094  -0.994   4.371
    3    HA   PRO   1           HA       PRO   1 -10.568  -1.143   2.942
    4    HB2  PRO   1           HB2      PRO   1 -10.239   1.620   2.153
    5    HB3  PRO   1           HB1      PRO   1 -11.028   0.300   1.275
    6    HG2  PRO   1           HG2      PRO   1 -12.378   2.396   2.384
    7    HG3  PRO   1           HG1      PRO   1 -13.086   0.792   2.138
    8    HD2  PRO   1           HD2      PRO   1 -11.962   2.005   4.642
    9    HD3  PRO   1           HD1      PRO   1 -13.423   1.024   4.429
   10    H    PHE   2           HN       PHE   2  -8.333  -0.533   2.265
   11    HA   PHE   2           HA       PHE   2  -6.834   0.381   4.625
   12    HB2  PHE   2           HB2      PHE   2  -5.860  -1.343   2.335
   13    HB3  PHE   2           HB1      PHE   2  -4.991  -0.983   3.823
   14    HD1  PHE   2           HD1      PHE   2  -7.450  -3.092   2.229
   15    HD2  PHE   2           HD2      PHE   2  -5.797  -1.924   5.971
   16    HE1  PHE   2           HE1      PHE   2  -8.420  -5.091   3.275
   17    HE2  PHE   2           HE2      PHE   2  -6.761  -3.928   7.024
   18    HZ   PHE   2           HZ       PHE   2  -8.076  -5.514   5.675
   19    HE3  9KK   3           HE3      MEB   3  -4.107   8.416   3.093
   20    HE2  9KK   3           HE2      MEB   3  -5.356   8.408   1.849
   21    HE1  9KK   3           HE1      MEB   3  -5.657   9.202   3.394
   22    HD2  9KK   3           HD1      MEB   3  -5.521   7.040   4.532
   23    HD3  9KK   3           HD2      MEB   3  -6.784   7.042   3.292
   24    HG2  9KK   3           HG1      MEB   3  -5.312   5.895   1.743
   25    HG3  9KK   3           HG2      MEB   3  -3.989   5.972   2.906
   26    HB2  9KK   3           HB1      MEB   3  -5.217   4.556   4.436
   27    HB3  9KK   3           HB2      MEB   3  -6.589   4.520   3.339
   28    HA   9KK   3           HA       MEB   3  -5.237   3.333   1.668
   29    HM1  9KK   3           HM1      MEB   3  -6.259   2.338   5.390
   30    HM3  9KK   3           HM3      MEB   3  -5.053   1.077   5.144
   31    HM2  9KK   3           HM2      MEB   3  -4.559   2.768   5.214
   32    H    CYS   4           HN       CYS   4  -3.342   4.067   0.885
   33    HA   CYS   4           HA       CYS   4  -0.932   2.947   1.752
   34    HB2  CYS   4           HB2      CYS   4  -0.980   3.547  -0.503
   35    HB3  CYS   4           HB1      CYS   4  -1.610   5.158  -0.162
   36    H    THR   5           HN       THR   5  -2.372   6.077   2.389
   37    HA   THR   5           HA       THR   5  -2.017   7.702   3.889
   38    HB   THR   5           HB       THR   5  -1.051   7.128   6.100
   39    HG1  THR   5           HG1      THR   5  -0.127   4.947   4.689
   40   HG21  THR   5          HG21      THR   5  -3.414   6.733   5.643
   41   HG22  THR   5          HG22      THR   5  -2.769   5.500   6.726
   42   HG23  THR   5          HG23      THR   5  -3.034   5.126   5.024
   43    H    TRP   6           HN       TRP   6   0.157   7.069   1.838
   44    HA   TRP   6           HA       TRP   6   2.474   8.266   3.120
   45    HB2  TRP   6           HB2      TRP   6   2.522   6.403   1.335
   46    HB3  TRP   6           HB1      TRP   6   2.187   7.685   0.184
   47    HD1  TRP   6           HD1      TRP   6   4.107   9.718   0.128
   48    HE1  TRP   6           HE1      TRP   6   6.665   9.508   0.372
   49    HE3  TRP   6           HE3      TRP   6   4.325   5.123   2.346
   50    HZ2  TRP   6           HZ2      TRP   6   8.523   7.623   1.368
   51    HZ3  TRP   6           HZ3      TRP   6   6.526   4.185   2.910
   52    HH2  TRP   6           HH2      TRP   6   8.578   5.407   2.431
   53    H    AIB   7           HN       AIB   7   2.922  10.348   3.067
   54   HB11  AIB   7          HB11      AIB   7   3.021  12.649   3.904
   55   HB12  AIB   7          HB12      AIB   7   3.009  13.883   2.645
   56   HB13  AIB   7          HB13      AIB   7   4.131  12.527   2.539
   57   HB21  AIB   7          HB21      AIB   7   0.652  12.365   3.608
   58   HB22  AIB   7          HB22      AIB   7  -0.027  11.924   2.043
   59   HB23  AIB   7          HB23      AIB   7   0.611  13.547   2.300
   60    H    GLY   8           HN       GLY   8   0.347  12.721   0.354
   61    HA2  GLY   8           HA2      GLY   8   0.683  13.900  -1.684
   62    HA3  GLY   8           HA1      GLY   8   2.325  13.271  -1.739
   63    H    CYS   9           HN       CYS   9   0.860  10.598  -0.930
   64    HA   CYS   9           HA       CYS   9   0.742   9.703  -3.682
   65    HB2  CYS   9           HB2      CYS   9   1.920   8.466  -1.816
   66    HB3  CYS   9           HB1      CYS   9   0.327   8.060  -1.186
   67    H    GLY  10           HN       GLY  10  -1.402   9.232  -0.853
   68    HA2  GLY  10           HA2      GLY  10  -3.692   9.256  -0.678
   69    HA3  GLY  10           HA1      GLY  10  -3.689  10.276  -2.104
   70    H    LYS  11           HN       LYS  11  -3.183   6.857  -1.252
   71    HA   LYS  11           HA       LYS  11  -4.994   6.137  -3.435
   72    HB2  LYS  11           HB2      LYS  11  -2.300   4.868  -2.889
   73    HB3  LYS  11           HB1      LYS  11  -3.492   4.231  -4.015
   74    HG2  LYS  11           HG2      LYS  11  -2.300   6.982  -4.258
   75    HG3  LYS  11           HG1      LYS  11  -1.617   5.554  -5.037
   76    HD2  LYS  11           HD2      LYS  11  -3.575   5.236  -6.353
   77    HD3  LYS  11           HD1      LYS  11  -4.468   6.444  -5.433
   78    HE2  LYS  11           HE2      LYS  11  -2.028   7.049  -7.098
   79    HE3  LYS  11           HE1      LYS  11  -3.685   7.223  -7.672
   80    HZ1  LYS  11           HZ1      LYS  11  -2.828   9.329  -6.897
   81    HZ2  LYS  11           HZ2      LYS  11  -2.478   8.678  -5.377
   82    HZ3  LYS  11           HZ3      LYS  11  -4.086   8.820  -5.888
   83    HA   MMO  12           HA       MER  12  -6.001   3.080  -0.322
   84   HCB1  MMO  12           HB1      MER  12  -8.507   3.110  -0.177
   85   HCB2  MMO  12           HB2      MER  12  -8.526   4.163  -1.585
   86   HCG1  MMO  12           HG1      MER  12  -7.392   5.896  -0.389
   87   HCG2  MMO  12           HG2      MER  12  -7.105   4.824   0.983
   88   HCD1  MMO  12           HD1      MER  12  -9.494   4.683   1.403
   89   HCD2  MMO  12           HD2      MER  12  -9.815   5.708   0.008
   90   HH21  MMO  12          HH11      MER  12 -10.713   5.153   2.662
   91   HH22  MMO  12          HH12      MER  12 -11.086   6.159   4.023
   92   HH11  MMO  12          HH21      MER  12 -10.016   8.173   4.297
   93    HC1  MMO  12           HM1      MER  12  -7.040   5.741  -3.170
   94    HC2  MMO  12           HM2      MER  12  -7.603   4.090  -3.426
   95    HC3  MMO  12           HM3      MER  12  -6.079   4.621  -4.134
   96    HE   MMO  12           HE       MER  12  -8.331   7.366   1.357
   97   HH12  MMO  12          HH22      MER  12  -8.820   8.689   3.150
   98    H    PHE  13           HN       PHE  13  -6.902   1.020  -0.106
   99    HA   PHE  13           HA       PHE  13  -7.403  -0.471  -2.578
  100    HB2  PHE  13           HB2      PHE  13  -5.314  -1.182  -0.496
  101    HB3  PHE  13           HB1      PHE  13  -5.775  -2.203  -1.855
  102    HD1  PHE  13           HD1      PHE  13  -4.926  -1.810  -4.026
  103    HD2  PHE  13           HD2      PHE  13  -4.141   0.948  -0.889
  104    HE1  PHE  13           HE1      PHE  13  -3.249  -0.692  -5.432
  105    HE2  PHE  13           HE2      PHE  13  -2.460   2.073  -2.283
  106    HZ   PHE  13           HZ       PHE  13  -2.017   1.256  -4.564
  107    H    THR  14           HN       THR  14  -8.418  -2.547  -2.180
  108    HA   THR  14           HA       THR  14  -9.931  -2.518   0.333
  109    HB   THR  14           HB       THR  14 -11.331  -2.553  -1.635
  110    HG1  THR  14           HG1      THR  14 -11.236  -4.785   0.044
  111   HG21  THR  14          HG21      THR  14  -9.752  -3.508  -3.224
  112   HG22  THR  14          HG22      THR  14 -11.269  -4.404  -3.242
  113   HG23  THR  14          HG23      THR  14  -9.862  -5.070  -2.416
  114    H    ARG  15           HN       ARG  15  -7.276  -3.981  -1.020
  115    HA   ARG  15           HA       ARG  15  -7.496  -6.235   0.853
  116    HB2  ARG  15           HB2      ARG  15  -6.239  -6.144  -1.879
  117    HB3  ARG  15           HB1      ARG  15  -5.823  -7.385  -0.706
  118    HG2  ARG  15           HG2      ARG  15  -8.198  -8.046  -0.621
  119    HG3  ARG  15           HG1      ARG  15  -8.542  -6.857  -1.879
  120    HD2  ARG  15           HD2      ARG  15  -7.084  -8.011  -3.423
  121    HD3  ARG  15           HD1      ARG  15  -6.598  -9.142  -2.163
  122    HE   ARG  15           HE       ARG  15  -9.397  -9.222  -2.474
  123   HH11  ARG  15          HH11      ARG  15  -6.461 -10.138  -4.131
  124   HH12  ARG  15          HH12      ARG  15  -7.183 -11.479  -4.960
  125   HH21  ARG  15          HH21      ARG  15 -10.365 -10.998  -3.554
  126   HH22  ARG  15          HH22      ARG  15  -9.407 -11.980  -4.617
  127    H    SER  16           HN       SER  16  -6.029  -6.303   2.392
  128    HA   SER  16           HA       SER  16  -4.118  -4.229   2.688
  129    HB2  SER  16           HB2      SER  16  -3.414  -5.529   4.709
  130    HB3  SER  16           HB1      SER  16  -5.152  -5.236   4.641
  131    HG   SER  16           HG       SER  16  -3.721  -7.628   4.222
  132    HG3  B3D  17           HG2      B3D  17  -2.701  -9.731   1.550
  133    HG2  B3D  17           HG1      B3D  17  -1.010  -9.708   1.076
  134    HA   B3D  17           HA       B3D  17  -1.106  -7.126   1.073
  135    H    B3D  17           HN       B3D  17  -3.950  -7.576   1.657
  136    HB1  B3D  17           HB1      B3D  17  -1.787  -8.949  -0.823
  137    HB2  B3D  17           HB2      B3D  17  -3.346  -8.158  -0.643
  138    H    GLU  18           HN       GLU  18  -3.720  -6.370  -1.677
  139    HA   GLU  18           HA       GLU  18  -1.841  -5.508  -3.633
  140    HB2  GLU  18           HB2      GLU  18  -4.548  -4.403  -2.881
  141    HB3  GLU  18           HB1      GLU  18  -3.625  -3.935  -4.304
  142    HG2  GLU  18           HG2      GLU  18  -4.787  -6.642  -3.701
  143    HG3  GLU  18           HG1      GLU  18  -5.308  -5.510  -4.945
  144    H    LEU  19           HN       LEU  19  -3.041  -4.175  -0.594
  145    HA   LEU  19           HA       LEU  19  -1.907  -1.614  -0.887
  146    HB2  LEU  19           HB2      LEU  19  -3.632  -2.217   0.778
  147    HB3  LEU  19           HB1      LEU  19  -2.455  -3.178   1.639
  148    HG   LEU  19           HG       LEU  19  -3.058  -0.836   2.536
  149   HD11  LEU  19          HD11      LEU  19  -0.181  -1.645   2.184
  150   HD12  LEU  19          HD12      LEU  19  -1.270  -2.162   3.473
  151   HD13  LEU  19          HD13      LEU  19  -0.778  -0.472   3.358
  152   HD21  LEU  19          HD21      LEU  19  -1.083  -0.037   0.408
  153   HD22  LEU  19          HD22      LEU  19  -1.753   1.004   1.662
  154   HD23  LEU  19          HD23      LEU  19  -2.801   0.351   0.408
  155    H    GLN  20           HN       GLN  20  -0.692  -4.551   0.703
  156    HA   GLN  20           HA       GLN  20   1.810  -3.455   1.418
  157    HB2  GLN  20           HB2      GLN  20   0.854  -5.476   2.467
  158    HB3  GLN  20           HB1      GLN  20   1.094  -6.354   0.965
  159    HG2  GLN  20           HG2      GLN  20   3.497  -6.047   1.148
  160    HG3  GLN  20           HG1      GLN  20   3.273  -5.125   2.633
  161   HE21  GLN  20          HE21      GLN  20   2.708  -6.192   4.522
  162   HE22  GLN  20          HE22      GLN  20   2.826  -7.910   4.683
  163    H    HMR  21           HN       B3R  21   0.999  -5.746  -1.218
  164    HB   HMR  21           HB       B3R  21   3.481  -4.838  -2.513
  165    HB2  HMR  21           HG1      B3R  21   3.202  -6.966  -3.884
  166    HB3  HMR  21           HG2      B3R  21   1.716  -7.315  -3.015
  167    HG2  HMR  21           HD1      B3R  21   2.967  -7.543  -0.939
  168    HG3  HMR  21           HD2      B3R  21   4.465  -7.186  -1.802
  169    HD2  HMR  21           HE1      B3R  21   4.097  -9.170  -3.216
  170    HD3  HMR  21           HE2      B3R  21   2.636  -9.535  -2.299
  171    HE   HMR  21           HF       B3R  21   4.865  -9.299  -0.567
  172    HH1  HMR  21          HH11      B3R  21   3.414 -11.462  -2.910
  173   HH21  HMR  21          HH21      B3R  21   5.447 -12.726  -0.346
  174   HH22  HMR  21          HH22      B3R  21   5.786 -11.177   0.351
  175    HC1  HMR  21           HA1      B3R  21   1.901  -5.380  -4.675
  176    HC2  HMR  21           HA2      B3R  21   0.672  -4.806  -3.553
  177    HH2  HMR  21          HH12      B3R  21   4.097 -12.890  -2.202
  178    H    HIS  22           HN       HIS  22   0.776  -2.738  -2.758
  179    HA   HIS  22           HA       HIS  22   1.847  -0.866  -4.661
  180    HB2  HIS  22           HB2      HIS  22  -0.413  -0.549  -3.879
  181    HB3  HIS  22           HB1      HIS  22   0.128  -0.505  -2.207
  182    HD1  HIS  22           HD1      HIS  22  -0.035   1.621  -5.317
  183    HD2  HIS  22           HD2      HIS  22   1.240   1.871  -1.357
  184    HE1  HIS  22           HE1      HIS  22   0.475   4.078  -4.868
  185    H    LYS  23           HN       LYS  23   2.105  -1.264  -1.107
  186    HA   LYS  23           HA       LYS  23   3.864   0.813  -0.613
  187    HB2  LYS  23           HB2      LYS  23   3.641  -1.863   0.764
  188    HB3  LYS  23           HB1      LYS  23   4.658  -0.558   1.353
  189    HG2  LYS  23           HG2      LYS  23   1.670  -0.443   1.014
  190    HG3  LYS  23           HG1      LYS  23   2.537  -0.643   2.537
  191    HD2  LYS  23           HD2      LYS  23   3.685   1.557   2.019
  192    HD3  LYS  23           HD1      LYS  23   2.510   1.754   0.714
  193    HE2  LYS  23           HE2      LYS  23   1.729   2.937   2.665
  194    HE3  LYS  23           HE1      LYS  23   0.687   1.544   2.375
  195    HZ1  LYS  23           HZ1      LYS  23   1.284   1.839   4.725
  196    HZ2  LYS  23           HZ2      LYS  23   2.910   1.596   4.339
  197    HZ3  LYS  23           HZ3      LYS  23   1.793   0.348   4.115
  198    H    HMR  24           HN       B3R  24   4.671  -2.561  -1.366
  199    HB   HMR  24           HB       B3R  24   7.434  -1.691  -1.777
  200    HB2  HMR  24           HG1      B3R  24   6.126  -4.484  -1.765
  201    HB3  HMR  24           HG2      B3R  24   6.958  -3.757  -0.400
  202    HG2  HMR  24           HD1      B3R  24   9.050  -3.769  -1.729
  203    HG3  HMR  24           HD2      B3R  24   8.188  -4.644  -2.995
  204    HD2  HMR  24           HE1      B3R  24   7.654  -6.416  -1.363
  205    HD3  HMR  24           HE2      B3R  24   8.615  -5.559  -0.159
  206    HE   HMR  24           HF       B3R  24  10.055  -6.153  -2.578
  207    HH1  HMR  24          HH21      B3R  24  11.765  -7.667  -2.445
  208   HH21  HMR  24          HH11      B3R  24   9.107  -7.336   0.578
  209   HH22  HMR  24          HH12      B3R  24  10.417  -8.464   0.697
  210    HC1  HMR  24           HA1      B3R  24   7.038  -3.452  -3.883
  211    HC2  HMR  24           HA2      B3R  24   5.507  -2.596  -3.845
  212    HH2  HMR  24          HH22      B3R  24  11.934  -8.654  -1.026
  213    H    THR  25           HN       THR  25   5.560  -0.276  -3.945
  214    HA   THR  25           HA       THR  25   7.503   0.525  -5.950
  215    HB   THR  25           HB       THR  25   6.028   2.447  -6.347
  216    HG1  THR  25           HG1      THR  25   4.205   1.325  -4.477
  217   HG21  THR  25          HG21      THR  25   5.584   0.338  -7.517
  218   HG22  THR  25          HG22      THR  25   4.090   1.218  -7.193
  219   HG23  THR  25          HG23      THR  25   4.530  -0.171  -6.198
  220    H    HIS  26           HN       HIS  26   6.312   1.679  -2.791
  221    HA   HIS  26           HA       HIS  26   8.090   3.939  -2.769
  222    HB2  HIS  26           HB2      HIS  26   6.502   2.677  -0.523
  223    HB3  HIS  26           HB1      HIS  26   7.404   4.177  -0.385
  224    HD1  HIS  26           HD1      HIS  26   6.446   6.198  -2.058
  225    HD2  HIS  26           HD2      HIS  26   3.947   2.962  -1.217
  226    HE1  HIS  26           HE1      HIS  26   4.053   6.988  -2.483
  227    HG   B3T  27           HG       B3T  27  10.325  -0.901   0.999
  228   HOD1  B3T  27           HD1      B3T  27   7.711  -0.544  -0.084
  229   H1D2  B3T  27          HD21      B3T  27   8.447   1.438   1.354
  230   H2D2  B3T  27          HD22      B3T  27  10.112   1.340   1.929
  231   H3D2  B3T  27          HD23      B3T  27   8.881   0.276   2.608
  232    HA   B3T  27           HA       B3T  27  10.766   1.106  -0.415
  233    H    B3T  27           H        B3T  27   8.048   0.705  -1.471
  234    HB1  B3T  27           HA1      B3T  27  10.263  -0.326  -2.652
  235    HB2  B3T  27           HA2      B3T  27  10.090  -1.582  -1.430
  236    H    GLY  28           HN       GLY  28  12.058  -1.939  -3.184
  237    HA2  GLY  28           HA2      GLY  28  14.349  -2.106  -3.454
  238    HA3  GLY  28           HA1      GLY  28  14.543  -0.796  -2.300
  239    H    GLU  29           HN       GLU  29  12.682  -3.628  -1.586
  240    HA   GLU  29           HA       GLU  29  12.818  -5.181   0.061
  241    HB2  GLU  29           HB2      GLU  29  15.747  -5.118  -0.666
  242    HB3  GLU  29           HB1      GLU  29  14.962  -6.378   0.270
  243    HG2  GLU  29           HG2      GLU  29  13.573  -6.938  -1.655
  244    HG3  GLU  29           HG1      GLU  29  14.368  -5.674  -2.594
  245    H    LYS  30           HN       LYS  30  12.471  -2.930   1.261
  246    HA   LYS  30           HA       LYS  30  14.515  -2.818   3.380
  247    HB2  LYS  30           HB2      LYS  30  12.611  -0.629   2.517
  248    HB3  LYS  30           HB1      LYS  30  13.775  -0.512   3.827
  249    HG2  LYS  30           HG2      LYS  30  15.573  -0.944   2.112
  250    HG3  LYS  30           HG1      LYS  30  14.328  -0.725   0.883
  251    HD2  LYS  30           HD2      LYS  30  15.155   1.298   2.965
  252    HD3  LYS  30           HD1      LYS  30  15.562   1.345   1.247
  253    HE2  LYS  30           HE2      LYS  30  13.223   1.593   0.669
  254    HE3  LYS  30           HE1      LYS  30  12.760   1.433   2.363
  255    HZ1  LYS  30           HZ1      LYS  30  13.986   3.462   2.844
  256    HZ2  LYS  30           HZ2      LYS  30  12.779   3.739   1.696
  257    HZ3  LYS  30           HZ3      LYS  30  14.394   3.624   1.211
  258    HN1  NH2  31           HN1      NH2  31  13.162  -4.753   3.981
  259    HN2  NH2  31           HN2      NH2  31  11.829  -4.465   5.045
  Start of MODEL    6
    1    H2   PRO   1           HT1      PRO   1 -10.220   1.426   1.994
    2    H3   PRO   1           HT2      PRO   1 -11.781   1.510   2.456
    3    HA   PRO   1           HA       PRO   1 -11.384   0.553   4.269
    4    HB2  PRO   1           HB2      PRO   1  -9.827  -1.747   3.267
    5    HB3  PRO   1           HB1      PRO   1 -11.287  -1.718   4.273
    6    HG2  PRO   1           HG2      PRO   1 -11.417  -2.394   1.692
    7    HG3  PRO   1           HG1      PRO   1 -12.694  -1.446   2.471
    8    HD2  PRO   1           HD2      PRO   1 -10.473  -0.511   0.681
    9    HD3  PRO   1           HD1      PRO   1 -12.182  -0.044   0.682
   10    H    PHE   2           HN       PHE   2  -8.489  -0.353   2.375
   11    HA   PHE   2           HA       PHE   2  -6.837   0.668   4.573
   12    HB2  PHE   2           HB2      PHE   2  -6.005  -0.965   2.161
   13    HB3  PHE   2           HB1      PHE   2  -5.010  -0.586   3.562
   14    HD1  PHE   2           HD1      PHE   2  -7.491  -2.790   2.174
   15    HD2  PHE   2           HD2      PHE   2  -5.583  -1.579   5.778
   16    HE1  PHE   2           HE1      PHE   2  -8.257  -4.853   3.271
   17    HE2  PHE   2           HE2      PHE   2  -6.339  -3.642   6.878
   18    HZ   PHE   2           HZ       PHE   2  -7.696  -5.272   5.635
   19    HE3  9KK   3           HE3      MEB   3  -6.060   8.490   1.040
   20    HE2  9KK   3           HE2      MEB   3  -6.438   9.485   2.446
   21    HE1  9KK   3           HE1      MEB   3  -4.818   8.818   2.248
   22    HD2  9KK   3           HD1      MEB   3  -6.075   7.548   3.906
   23    HD3  9KK   3           HD2      MEB   3  -7.342   7.234   2.707
   24    HG2  9KK   3           HG1      MEB   3  -5.708   6.072   1.295
   25    HG3  9KK   3           HG2      MEB   3  -4.454   6.378   2.497
   26    HB2  9KK   3           HB1      MEB   3  -5.687   5.060   4.130
   27    HB3  9KK   3           HB2      MEB   3  -6.956   4.764   2.946
   28    HA   9KK   3           HA       MEB   3  -5.331   3.581   1.514
   29    HM1  9KK   3           HM1      MEB   3  -5.109   1.551   5.067
   30    HM3  9KK   3           HM3      MEB   3  -4.816   3.287   5.100
   31    HM2  9KK   3           HM2      MEB   3  -6.457   2.669   5.288
   32    H    CYS   4           HN       CYS   4  -3.374   3.942   0.798
   33    HA   CYS   4           HA       CYS   4  -1.105   3.830   2.594
   34    HB2  CYS   4           HB2      CYS   4  -0.994   2.699   0.405
   35    HB3  CYS   4           HB1      CYS   4  -1.212   4.251  -0.401
   36    H    THR   5           HN       THR   5  -1.197   5.704   3.813
   37    HA   THR   5           HA       THR   5  -1.392   8.268   2.435
   38    HB   THR   5           HB       THR   5  -1.057   7.912   5.409
   39    HG1  THR   5           HG1      THR   5  -3.468   7.705   3.888
   40   HG21  THR   5          HG21      THR   5  -2.541   9.949   3.735
   41   HG22  THR   5          HG22      THR   5  -0.964  10.192   4.486
   42   HG23  THR   5          HG23      THR   5  -2.393   9.962   5.491
   43    H    TRP   6           HN       TRP   6   0.884   6.840   1.809
   44    HA   TRP   6           HA       TRP   6   3.154   7.541   3.346
   45    HB2  TRP   6           HB2      TRP   6   2.964   5.695   1.598
   46    HB3  TRP   6           HB1      TRP   6   3.095   6.953   0.384
   47    HD1  TRP   6           HD1      TRP   6   5.488   8.204   0.174
   48    HE1  TRP   6           HE1      TRP   6   7.862   7.413   0.795
   49    HE3  TRP   6           HE3      TRP   6   4.263   4.303   3.235
   50    HZ2  TRP   6           HZ2      TRP   6   9.047   5.391   2.368
   51    HZ3  TRP   6           HZ3      TRP   6   6.072   2.987   4.252
   52    HH2  TRP   6           HH2      TRP   6   8.411   3.520   3.826
   53    H    AIB   7           HN       AIB   7   4.823   9.041   2.713
   54   HB11  AIB   7          HB11      AIB   7   6.267  10.995   3.156
   55   HB12  AIB   7          HB12      AIB   7   6.438  12.080   1.776
   56   HB13  AIB   7          HB13      AIB   7   6.679  10.345   1.569
   57   HB21  AIB   7          HB21      AIB   7   2.825  11.882   2.397
   58   HB22  AIB   7          HB22      AIB   7   4.198  12.976   2.234
   59   HB23  AIB   7          HB23      AIB   7   4.101  11.884   3.615
   60    H    GLY   8           HN       GLY   8   2.975  12.455   0.578
   61    HA2  GLY   8           HA2      GLY   8   2.796  13.239  -1.601
   62    HA3  GLY   8           HA1      GLY   8   4.182  12.248  -2.041
   63    H    CYS   9           HN       CYS   9   1.968  10.406  -0.365
   64    HA   CYS   9           HA       CYS   9   0.831   9.389  -2.881
   65    HB2  CYS   9           HB2      CYS   9   2.519   7.933  -1.640
   66    HB3  CYS   9           HB1      CYS   9   1.311   7.781  -0.373
   67    H    GLY  10           HN       GLY  10  -1.109   7.786  -2.052
   68    HA2  GLY  10           HA2      GLY  10  -2.806   8.351  -0.022
   69    HA3  GLY  10           HA1      GLY  10  -3.094   9.670  -1.147
   70    H    LYS  11           HN       LYS  11  -2.557   6.169  -1.428
   71    HA   LYS  11           HA       LYS  11  -4.800   6.067  -3.321
   72    HB2  LYS  11           HB2      LYS  11  -2.424   4.221  -2.995
   73    HB3  LYS  11           HB1      LYS  11  -3.744   3.947  -4.122
   74    HG2  LYS  11           HG2      LYS  11  -1.915   6.342  -4.170
   75    HG3  LYS  11           HG1      LYS  11  -1.727   4.906  -5.180
   76    HD2  LYS  11           HD2      LYS  11  -3.906   5.323  -6.196
   77    HD3  LYS  11           HD1      LYS  11  -4.135   6.727  -5.157
   78    HE2  LYS  11           HE2      LYS  11  -3.430   7.425  -7.369
   79    HE3  LYS  11           HE1      LYS  11  -2.182   7.798  -6.183
   80    HZ1  LYS  11           HZ1      LYS  11  -0.920   5.915  -6.904
   81    HZ2  LYS  11           HZ2      LYS  11  -1.319   6.839  -8.264
   82    HZ3  LYS  11           HZ3      LYS  11  -2.158   5.408  -7.939
   83    HA   MMO  12           HA       MER  12  -6.448   3.195  -0.336
   84   HCB1  MMO  12           HB1      MER  12  -8.931   3.366  -0.592
   85   HCB2  MMO  12           HB2      MER  12  -8.679   4.237  -2.098
   86   HCG1  MMO  12           HG1      MER  12  -7.478   5.991  -0.855
   87   HCG2  MMO  12           HG2      MER  12  -7.799   5.119   0.644
   88   HCD1  MMO  12           HD1      MER  12 -10.178   5.387   0.344
   89   HCD2  MMO  12           HD2      MER  12  -9.929   6.144  -1.227
   90   HH21  MMO  12          HH11      MER  12 -11.778   6.473   0.650
   91   HH22  MMO  12          HH12      MER  12 -12.381   7.821   1.553
   92   HH11  MMO  12          HH21      MER  12 -11.000   9.581   2.065
   93    HC1  MMO  12           HM1      MER  12  -7.515   4.095  -3.715
   94    HC2  MMO  12           HM2      MER  12  -5.913   4.646  -4.201
   95    HC3  MMO  12           HM3      MER  12  -6.990   5.730  -3.321
   96    HE   MMO  12           HE       MER  12  -8.547   7.776   0.374
   97   HH12  MMO  12          HH22      MER  12  -9.343   9.561   1.550
   98    H    PHE  13           HN       PHE  13  -6.884   1.118  -0.115
   99    HA   PHE  13           HA       PHE  13  -7.401  -0.503  -2.511
  100    HB2  PHE  13           HB2      PHE  13  -5.374  -1.102  -0.339
  101    HB3  PHE  13           HB1      PHE  13  -5.738  -2.132  -1.720
  102    HD1  PHE  13           HD1      PHE  13  -4.958  -1.561  -3.932
  103    HD2  PHE  13           HD2      PHE  13  -4.084   0.914  -0.586
  104    HE1  PHE  13           HE1      PHE  13  -3.234  -0.397  -5.247
  105    HE2  PHE  13           HE2      PHE  13  -2.361   2.084  -1.892
  106    HZ   PHE  13           HZ       PHE  13  -1.935   1.430  -4.228
  107    H    THR  14           HN       THR  14  -8.441  -2.523  -2.082
  108    HA   THR  14           HA       THR  14  -9.861  -2.533   0.488
  109    HB   THR  14           HB       THR  14 -11.306  -2.457  -1.495
  110    HG1  THR  14           HG1      THR  14 -11.320  -4.772   0.139
  111   HG21  THR  14          HG21      THR  14 -11.436  -4.301  -3.058
  112   HG22  THR  14          HG22      THR  14 -10.167  -5.163  -2.193
  113   HG23  THR  14          HG23      THR  14  -9.791  -3.666  -3.041
  114    H    ARG  15           HN       ARG  15  -7.140  -3.766  -0.560
  115    HA   ARG  15           HA       ARG  15  -7.445  -6.229   0.993
  116    HB2  ARG  15           HB2      ARG  15  -6.082  -6.024  -1.697
  117    HB3  ARG  15           HB1      ARG  15  -6.014  -7.432  -0.647
  118    HG2  ARG  15           HG2      ARG  15  -8.359  -7.814  -0.897
  119    HG3  ARG  15           HG1      ARG  15  -8.560  -6.290  -1.762
  120    HD2  ARG  15           HD2      ARG  15  -7.011  -7.189  -3.512
  121    HD3  ARG  15           HD1      ARG  15  -7.084  -8.743  -2.686
  122    HE   ARG  15           HE       ARG  15  -9.580  -8.552  -3.080
  123   HH11  ARG  15          HH11      ARG  15  -7.203  -7.135  -5.224
  124   HH12  ARG  15          HH12      ARG  15  -8.228  -7.212  -6.615
  125   HH21  ARG  15          HH21      ARG  15 -10.930  -8.662  -4.909
  126   HH22  ARG  15          HH22      ARG  15 -10.347  -8.097  -6.441
  127    H    SER  16           HN       SER  16  -6.005  -6.271   2.551
  128    HA   SER  16           HA       SER  16  -4.020  -4.322   2.896
  129    HB2  SER  16           HB2      SER  16  -3.226  -5.956   4.729
  130    HB3  SER  16           HB1      SER  16  -4.869  -5.323   4.857
  131    HG   SER  16           HG       SER  16  -4.077  -7.865   4.686
  132    HG3  B3D  17           HG2      B3D  17  -0.691  -9.469   0.989
  133    HG2  B3D  17           HG1      B3D  17  -1.400  -8.963   2.513
  134    HA   B3D  17           HA       B3D  17  -1.106  -7.008   0.883
  135    H    B3D  17           HN       B3D  17  -3.880  -7.605   1.642
  136    HB1  B3D  17           HB1      B3D  17  -1.904  -8.898  -0.957
  137    HB2  B3D  17           HB2      B3D  17  -3.421  -8.051  -0.679
  138    H    GLU  18           HN       GLU  18  -3.813  -6.349  -1.822
  139    HA   GLU  18           HA       GLU  18  -2.049  -5.369  -3.785
  140    HB2  GLU  18           HB2      GLU  18  -4.550  -4.106  -2.659
  141    HB3  GLU  18           HB1      GLU  18  -3.749  -3.627  -4.148
  142    HG2  GLU  18           HG2      GLU  18  -4.242  -5.786  -5.131
  143    HG3  GLU  18           HG1      GLU  18  -4.997  -6.312  -3.627
  144    H    LEU  19           HN       LEU  19  -3.038  -4.134  -0.621
  145    HA   LEU  19           HA       LEU  19  -1.789  -1.633  -0.806
  146    HB2  LEU  19           HB2      LEU  19  -3.495  -2.230   0.865
  147    HB3  LEU  19           HB1      LEU  19  -2.360  -3.306   1.645
  148    HG   LEU  19           HG       LEU  19  -2.807  -1.014   2.710
  149   HD11  LEU  19          HD11      LEU  19  -0.489  -0.798   3.467
  150   HD12  LEU  19          HD12      LEU  19   0.024  -1.892   2.182
  151   HD13  LEU  19          HD13      LEU  19  -1.034  -2.475   3.466
  152   HD21  LEU  19          HD21      LEU  19  -2.601   0.323   0.681
  153   HD22  LEU  19          HD22      LEU  19  -0.911  -0.154   0.530
  154   HD23  LEU  19          HD23      LEU  19  -1.433   0.825   1.899
  155    H    GLN  20           HN       GLN  20  -0.621  -4.661   0.668
  156    HA   GLN  20           HA       GLN  20   1.913  -3.607   1.361
  157    HB2  GLN  20           HB2      GLN  20   0.863  -5.653   2.370
  158    HB3  GLN  20           HB1      GLN  20   1.248  -6.511   0.886
  159    HG2  GLN  20           HG2      GLN  20   2.928  -6.999   2.511
  160    HG3  GLN  20           HG1      GLN  20   3.637  -5.987   1.253
  161   HE21  GLN  20          HE21      GLN  20   5.276  -5.175   2.541
  162   HE22  GLN  20          HE22      GLN  20   4.982  -4.088   3.858
  163    H    HMR  21           HN       B3R  21   1.003  -5.857  -1.288
  164    HB   HMR  21           HB       B3R  21   3.528  -5.044  -2.570
  165    HB2  HMR  21           HG1      B3R  21   3.257  -7.194  -3.868
  166    HB3  HMR  21           HG2      B3R  21   1.700  -7.467  -3.103
  167    HG2  HMR  21           HD1      B3R  21   2.800  -7.683  -0.935
  168    HG3  HMR  21           HD2      B3R  21   4.366  -7.440  -1.712
  169    HD2  HMR  21           HE1      B3R  21   4.036  -9.452  -3.047
  170    HD3  HMR  21           HE2      B3R  21   2.438  -9.675  -2.334
  171    HE   HMR  21           HF       B3R  21   4.273  -9.570  -0.246
  172    HH1  HMR  21          HH11      B3R  21   3.530 -11.638  -2.975
  173   HH21  HMR  21          HH21      B3R  21   4.969 -12.970  -0.063
  174   HH22  HMR  21          HH22      B3R  21   5.030 -11.449   0.771
  175    HC1  HMR  21           HA1      B3R  21   1.930  -5.588  -4.731
  176    HC2  HMR  21           HA2      B3R  21   0.735  -4.920  -3.625
  177    HH2  HMR  21          HH12      B3R  21   4.112 -13.076  -2.199
  178    H    HIS  22           HN       HIS  22   0.792  -2.851  -3.055
  179    HA   HIS  22           HA       HIS  22   2.081  -1.095  -4.936
  180    HB2  HIS  22           HB2      HIS  22  -0.179  -0.580  -4.536
  181    HB3  HIS  22           HB1      HIS  22  -0.004  -0.761  -2.795
  182    HD1  HIS  22           HD1      HIS  22   0.297   1.772  -5.534
  183    HD2  HIS  22           HD2      HIS  22   1.192   1.403  -1.478
  184    HE1  HIS  22           HE1      HIS  22   0.848   4.115  -4.689
  185    H    LYS  23           HN       LYS  23   2.122  -1.587  -1.404
  186    HA   LYS  23           HA       LYS  23   3.694   0.603  -0.715
  187    HB2  LYS  23           HB2      LYS  23   2.485  -1.022   0.835
  188    HB3  LYS  23           HB1      LYS  23   3.872  -2.083   0.647
  189    HG2  LYS  23           HG2      LYS  23   4.245  -0.935   2.652
  190    HG3  LYS  23           HG1      LYS  23   5.285  -0.143   1.468
  191    HD2  LYS  23           HD2      LYS  23   4.186   1.526   2.842
  192    HD3  LYS  23           HD1      LYS  23   3.589   1.622   1.186
  193    HE2  LYS  23           HE2      LYS  23   1.577   0.429   1.796
  194    HE3  LYS  23           HE1      LYS  23   2.191   0.167   3.427
  195    HZ1  LYS  23           HZ1      LYS  23   1.526   2.799   2.220
  196    HZ2  LYS  23           HZ2      LYS  23   2.153   2.564   3.774
  197    HZ3  LYS  23           HZ3      LYS  23   0.618   1.978   3.387
  198    H    HMR  24           HN       B3R  24   4.678  -2.674  -1.632
  199    HB   HMR  24           HB       B3R  24   7.452  -1.747  -1.684
  200    HB2  HMR  24           HG1      B3R  24   6.230  -4.528  -2.237
  201    HB3  HMR  24           HG2      B3R  24   6.780  -3.998  -0.656
  202    HG2  HMR  24           HD1      B3R  24   9.062  -3.833  -1.490
  203    HG3  HMR  24           HD2      B3R  24   8.519  -4.351  -3.086
  204    HD2  HMR  24           HE1      B3R  24   7.771  -6.479  -2.150
  205    HD3  HMR  24           HE2      B3R  24   8.300  -5.964  -0.549
  206    HE   HMR  24           HF       B3R  24  10.412  -5.844  -2.465
  207    HH1  HMR  24          HH21      B3R  24  12.119  -7.327  -2.315
  208   HH21  HMR  24          HH11      B3R  24   8.639  -8.034  -0.389
  209   HH22  HMR  24          HH12      B3R  24   9.939  -9.174  -0.268
  210    HC1  HMR  24           HA1      B3R  24   7.391  -3.180  -4.016
  211    HC2  HMR  24           HA2      B3R  24   5.766  -2.516  -4.045
  212    HH2  HMR  24          HH22      B3R  24  11.929  -8.769  -1.369
  213    H    THR  25           HN       THR  25   5.479  -0.290  -4.108
  214    HA   THR  25           HA       THR  25   7.270   0.985  -5.888
  215    HB   THR  25           HB       THR  25   4.907   2.121  -4.389
  216    HG1  THR  25           HG1      THR  25   3.713   1.469  -6.130
  217   HG21  THR  25          HG21      THR  25   4.833   3.797  -6.169
  218   HG22  THR  25          HG22      THR  25   6.292   3.110  -6.885
  219   HG23  THR  25          HG23      THR  25   6.364   3.870  -5.295
  220    H    HIS  26           HN       HIS  26   6.450   1.575  -2.466
  221    HA   HIS  26           HA       HIS  26   8.318   3.804  -2.385
  222    HB2  HIS  26           HB2      HIS  26   6.737   2.596  -0.110
  223    HB3  HIS  26           HB1      HIS  26   7.566   4.148  -0.107
  224    HD1  HIS  26           HD1      HIS  26   6.491   5.883  -2.113
  225    HD2  HIS  26           HD2      HIS  26   4.147   2.800  -0.569
  226    HE1  HIS  26           HE1      HIS  26   4.058   6.507  -2.572
  227    HG   B3T  27           HG       B3T  27  10.243  -1.405   1.052
  228   HOD1  B3T  27           HD1      B3T  27   7.573  -0.955   0.172
  229   H1D2  B3T  27          HD21      B3T  27   9.918   0.754   2.158
  230   H2D2  B3T  27          HD22      B3T  27   8.699  -0.408   2.679
  231   H3D2  B3T  27          HD23      B3T  27   8.281   0.845   1.511
  232    HA   B3T  27           HA       B3T  27  10.770   0.701  -0.161
  233    H    B3T  27           H        B3T  27   8.062   0.490  -1.293
  234    HB1  B3T  27           HA1      B3T  27  10.213  -0.544  -2.541
  235    HB2  B3T  27           HA2      B3T  27  10.128  -1.882  -1.400
  236    H    GLY  28           HN       GLY  28  11.987  -2.956  -1.762
  237    HA2  GLY  28           HA2      GLY  28  14.252  -3.355  -1.937
  238    HA3  GLY  28           HA1      GLY  28  14.490  -1.634  -2.193
  239    H    GLU  29           HN       GLU  29  14.104  -0.284  -0.171
  240    HA   GLU  29           HA       GLU  29  15.798  -1.311   1.916
  241    HB2  GLU  29           HB2      GLU  29  14.301   1.312   1.728
  242    HB3  GLU  29           HB1      GLU  29  15.531   0.923   2.919
  243    HG2  GLU  29           HG2      GLU  29  15.931   1.161  -0.054
  244    HG3  GLU  29           HG1      GLU  29  16.464   2.302   1.181
  245    H    LYS  30           HN       LYS  30  14.388  -3.081   2.520
  246    HA   LYS  30           HA       LYS  30  12.544  -2.280   4.617
  247    HB2  LYS  30           HB2      LYS  30  11.187  -2.513   2.513
  248    HB3  LYS  30           HB1      LYS  30  11.673  -4.200   2.446
  249    HG2  LYS  30           HG2      LYS  30   9.456  -3.988   3.391
  250    HG3  LYS  30           HG1      LYS  30  10.584  -4.589   4.610
  251    HD2  LYS  30           HD2      LYS  30  10.764  -2.356   5.564
  252    HD3  LYS  30           HD1      LYS  30   9.687  -1.721   4.317
  253    HE2  LYS  30           HE2      LYS  30   7.886  -3.139   5.142
  254    HE3  LYS  30           HE1      LYS  30   8.963  -3.806   6.371
  255    HZ1  LYS  30           HZ1      LYS  30   7.555  -2.080   7.284
  256    HZ2  LYS  30           HZ2      LYS  30   8.134  -0.965   6.153
  257    HZ3  LYS  30           HZ3      LYS  30   9.176  -1.597   7.324
  258    HN1  NH2  31           HN1      NH2  31  13.202  -5.287   2.856
  259    HN2  NH2  31           HN2      NH2  31  13.828  -6.154   4.214
  Start of MODEL    7
    1    H2   PRO   1           HT1      PRO   1 -11.369   0.099   4.793
    2    H3   PRO   1           HT2      PRO   1 -11.712  -1.328   4.075
    3    HA   PRO   1           HA       PRO   1 -10.489  -0.983   2.373
    4    HB2  PRO   1           HB2      PRO   1 -10.416   1.814   1.897
    5    HB3  PRO   1           HB1      PRO   1 -11.259   0.582   0.947
    6    HG2  PRO   1           HG2      PRO   1 -12.294   2.340   3.099
    7    HG3  PRO   1           HG1      PRO   1 -13.132   1.661   1.692
    8    HD2  PRO   1           HD2      PRO   1 -13.584   0.690   4.135
    9    HD3  PRO   1           HD1      PRO   1 -13.487  -0.396   2.738
   10    H    PHE   2           HN       PHE   2  -8.306  -0.172   1.998
   11    HA   PHE   2           HA       PHE   2  -7.123   0.937   4.462
   12    HB2  PHE   2           HB2      PHE   2  -5.794  -0.943   2.494
   13    HB3  PHE   2           HB1      PHE   2  -5.141  -0.392   4.035
   14    HD1  PHE   2           HD1      PHE   2  -7.129  -2.856   2.369
   15    HD2  PHE   2           HD2      PHE   2  -6.314  -1.091   6.154
   16    HE1  PHE   2           HE1      PHE   2  -8.142  -4.793   3.487
   17    HE2  PHE   2           HE2      PHE   2  -7.324  -3.032   7.281
   18    HZ   PHE   2           HZ       PHE   2  -8.242  -4.886   5.945
   19    HE3  9KK   3           HE3      MEB   3  -5.216   8.996   1.894
   20    HE2  9KK   3           HE2      MEB   3  -6.270   8.512   0.564
   21    HE1  9KK   3           HE1      MEB   3  -6.896   9.531   1.860
   22    HD2  9KK   3           HD1      MEB   3  -6.587   7.704   3.453
   23    HD3  9KK   3           HD2      MEB   3  -7.645   7.220   2.118
   24    HG2  9KK   3           HG1      MEB   3  -5.732   6.131   1.017
   25    HG3  9KK   3           HG2      MEB   3  -4.695   6.599   2.364
   26    HB2  9KK   3           HB1      MEB   3  -5.974   5.244   3.881
   27    HB3  9KK   3           HB2      MEB   3  -7.139   4.862   2.621
   28    HA   9KK   3           HA       MEB   3  -5.381   3.659   1.372
   29    HM1  9KK   3           HM1      MEB   3  -6.887   3.033   5.019
   30    HM3  9KK   3           HM3      MEB   3  -5.540   1.902   5.115
   31    HM2  9KK   3           HM2      MEB   3  -5.230   3.635   5.011
   32    H    CYS   4           HN       CYS   4  -3.344   3.758   0.819
   33    HA   CYS   4           HA       CYS   4  -1.201   3.625   2.690
   34    HB2  CYS   4           HB2      CYS   4  -0.962   2.672   0.452
   35    HB3  CYS   4           HB1      CYS   4  -1.193   4.260  -0.270
   36    H    THR   5           HN       THR   5  -1.099   5.332   4.048
   37    HA   THR   5           HA       THR   5  -1.298   8.028   2.965
   38    HB   THR   5           HB       THR   5  -1.249   8.724   5.378
   39    HG1  THR   5           HG1      THR   5  -1.575   7.004   6.909
   40   HG21  THR   5          HG21      THR   5  -3.361   6.707   4.610
   41   HG22  THR   5          HG22      THR   5  -3.366   8.420   4.195
   42   HG23  THR   5          HG23      THR   5  -3.512   7.922   5.880
   43    H    TRP   6           HN       TRP   6   0.954   6.540   2.222
   44    HA   TRP   6           HA       TRP   6   3.255   7.085   3.752
   45    HB2  TRP   6           HB2      TRP   6   3.025   5.433   1.838
   46    HB3  TRP   6           HB1      TRP   6   3.103   6.803   0.745
   47    HD1  TRP   6           HD1      TRP   6   5.478   8.019   0.464
   48    HE1  TRP   6           HE1      TRP   6   7.874   7.218   0.965
   49    HE3  TRP   6           HE3      TRP   6   4.383   4.029   3.460
   50    HZ2  TRP   6           HZ2      TRP   6   9.126   5.162   2.441
   51    HZ3  TRP   6           HZ3      TRP   6   6.237   2.701   4.378
   52    HH2  TRP   6           HH2      TRP   6   8.556   3.255   3.880
   53    H    AIB   7           HN       AIB   7   4.847   8.682   3.431
   54   HB11  AIB   7          HB11      AIB   7   6.119  10.641   4.252
   55   HB12  AIB   7          HB12      AIB   7   6.434  11.843   3.000
   56   HB13  AIB   7          HB13      AIB   7   6.767  10.139   2.692
   57   HB21  AIB   7          HB21      AIB   7   4.103  12.641   3.169
   58   HB22  AIB   7          HB22      AIB   7   3.893  11.464   4.466
   59   HB23  AIB   7          HB23      AIB   7   2.777  11.478   3.102
   60    H    GLY   8           HN       GLY   8   2.982  11.964   1.295
   61    HA2  GLY   8           HA2      GLY   8   3.200  13.000  -0.815
   62    HA3  GLY   8           HA1      GLY   8   4.598  11.986  -1.147
   63    H    CYS   9           HN       CYS   9   2.024  10.255   0.178
   64    HA   CYS   9           HA       CYS   9   1.115   9.414  -2.493
   65    HB2  CYS   9           HB2      CYS   9   2.731   7.829  -1.328
   66    HB3  CYS   9           HB1      CYS   9   1.476   7.582  -0.124
   67    H    GLY  10           HN       GLY  10  -0.905   7.814  -1.996
   68    HA2  GLY  10           HA2      GLY  10  -2.601   8.205   0.141
   69    HA3  GLY  10           HA1      GLY  10  -2.928   9.537  -0.955
   70    H    LYS  11           HN       LYS  11  -2.216   6.093  -1.503
   71    HA   LYS  11           HA       LYS  11  -4.448   6.006  -3.384
   72    HB2  LYS  11           HB2      LYS  11  -2.137   4.129  -2.874
   73    HB3  LYS  11           HB1      LYS  11  -3.440   3.767  -3.994
   74    HG2  LYS  11           HG2      LYS  11  -1.611   6.154  -4.209
   75    HG3  LYS  11           HG1      LYS  11  -1.406   4.640  -5.091
   76    HD2  LYS  11           HD2      LYS  11  -3.719   4.995  -6.022
   77    HD3  LYS  11           HD1      LYS  11  -3.678   6.608  -5.313
   78    HE2  LYS  11           HE2      LYS  11  -1.688   5.543  -7.314
   79    HE3  LYS  11           HE1      LYS  11  -3.052   6.584  -7.707
   80    HZ1  LYS  11           HZ1      LYS  11  -2.106   8.293  -6.279
   81    HZ2  LYS  11           HZ2      LYS  11  -1.020   7.853  -7.498
   82    HZ3  LYS  11           HZ3      LYS  11  -0.790   7.294  -5.920
   83    HA   MMO  12           HA       MER  12  -6.423   3.231  -0.476
   84   HCB1  MMO  12           HB1      MER  12  -8.863   3.567  -0.886
   85   HCB2  MMO  12           HB2      MER  12  -8.463   4.357  -2.406
   86   HCG1  MMO  12           HG1      MER  12  -7.216   6.073  -1.160
   87   HCG2  MMO  12           HG2      MER  12  -7.686   5.287   0.348
   88   HCD1  MMO  12           HD1      MER  12  -9.648   6.322  -1.679
   89   HCD2  MMO  12           HD2      MER  12  -9.089   7.252  -0.293
   90   HH21  MMO  12          HH11      MER  12 -11.424   7.097  -1.555
   91   HH22  MMO  12          HH12      MER  12 -13.049   6.825  -1.010
   92   HH11  MMO  12          HH21      MER  12 -13.455   5.445   0.795
   93    HC1  MMO  12           HM1      MER  12  -5.468   4.464  -4.335
   94    HC2  MMO  12           HM2      MER  12  -6.646   5.596  -3.667
   95    HC3  MMO  12           HM3      MER  12  -7.111   3.927  -4.000
   96    HE   MMO  12           HE       MER  12  -9.992   5.024   0.879
   97   HH12  MMO  12          HH22      MER  12 -12.127   4.681   1.612
   98    H    PHE  13           HN       PHE  13  -6.823   1.158  -0.269
   99    HA   PHE  13           HA       PHE  13  -7.426  -0.450  -2.657
  100    HB2  PHE  13           HB2      PHE  13  -5.435  -1.139  -0.483
  101    HB3  PHE  13           HB1      PHE  13  -5.806  -2.112  -1.903
  102    HD1  PHE  13           HD1      PHE  13  -5.135  -1.342  -4.139
  103    HD2  PHE  13           HD2      PHE  13  -3.965   0.707  -0.603
  104    HE1  PHE  13           HE1      PHE  13  -3.368  -0.192  -5.397
  105    HE2  PHE  13           HE2      PHE  13  -2.193   1.862  -1.852
  106    HZ   PHE  13           HZ       PHE  13  -1.955   1.489  -4.269
  107    H    THR  14           HN       THR  14  -7.973  -2.799  -1.898
  108    HA   THR  14           HA       THR  14  -9.827  -2.540   0.378
  109    HB   THR  14           HB       THR  14 -11.110  -4.414  -0.759
  110    HG1  THR  14           HG1      THR  14  -9.034  -4.120  -2.526
  111   HG21  THR  14          HG21      THR  14 -10.873  -1.758  -2.177
  112   HG22  THR  14          HG22      THR  14 -11.898  -2.110  -0.786
  113   HG23  THR  14          HG23      THR  14 -12.222  -2.882  -2.338
  114    H    ARG  15           HN       ARG  15  -7.196  -4.361  -0.915
  115    HA   ARG  15           HA       ARG  15  -7.455  -6.218   1.354
  116    HB2  ARG  15           HB2      ARG  15  -6.183  -6.708  -1.338
  117    HB3  ARG  15           HB1      ARG  15  -6.119  -7.827   0.012
  118    HG2  ARG  15           HG2      ARG  15  -8.578  -7.985  -0.038
  119    HG3  ARG  15           HG1      ARG  15  -8.591  -6.929  -1.453
  120    HD2  ARG  15           HD2      ARG  15  -7.214  -8.569  -2.662
  121    HD3  ARG  15           HD1      ARG  15  -7.254  -9.624  -1.252
  122    HE   ARG  15           HE       ARG  15  -9.843  -8.874  -2.300
  123   HH11  ARG  15          HH11      ARG  15  -7.230 -11.199  -2.387
  124   HH12  ARG  15          HH12      ARG  15  -8.221 -12.486  -2.994
  125   HH21  ARG  15          HH21      ARG  15 -11.154 -10.566  -3.113
  126   HH22  ARG  15          HH22      ARG  15 -10.459 -12.130  -3.400
  127    H    SER  16           HN       SER  16  -5.776  -6.502   2.671
  128    HA   SER  16           HA       SER  16  -3.846  -4.475   2.895
  129    HB2  SER  16           HB2      SER  16  -3.917  -7.193   4.220
  130    HB3  SER  16           HB1      SER  16  -2.948  -5.815   4.744
  131    HG   SER  16           HG       SER  16  -5.205  -6.292   5.683
  132    HG3  B3D  17           HG2      B3D  17  -1.165  -9.061   2.145
  133    HG2  B3D  17           HG1      B3D  17  -2.293  -9.796   1.017
  134    HA   B3D  17           HA       B3D  17  -0.986  -7.020   0.641
  135    H    B3D  17           HN       B3D  17  -3.726  -7.687   1.477
  136    HB1  B3D  17           HB1      B3D  17  -1.790  -8.774  -1.284
  137    HB2  B3D  17           HB2      B3D  17  -3.350  -8.070  -0.872
  138    H    GLU  18           HN       GLU  18  -3.909  -6.260  -1.761
  139    HA   GLU  18           HA       GLU  18  -2.429  -5.005  -3.774
  140    HB2  GLU  18           HB2      GLU  18  -4.696  -3.870  -2.139
  141    HB3  GLU  18           HB1      GLU  18  -4.126  -3.240  -3.676
  142    HG2  GLU  18           HG2      GLU  18  -4.840  -5.274  -4.788
  143    HG3  GLU  18           HG1      GLU  18  -5.372  -5.940  -3.245
  144    H    LEU  19           HN       LEU  19  -3.086  -4.030  -0.429
  145    HA   LEU  19           HA       LEU  19  -1.834  -1.525  -0.589
  146    HB2  LEU  19           HB2      LEU  19  -3.493  -2.226   1.118
  147    HB3  LEU  19           HB1      LEU  19  -2.281  -3.259   1.843
  148    HG   LEU  19           HG       LEU  19  -2.760  -1.030   2.979
  149   HD11  LEU  19          HD11      LEU  19  -0.426  -0.668   3.585
  150   HD12  LEU  19          HD12      LEU  19   0.084  -1.661   2.218
  151   HD13  LEU  19          HD13      LEU  19  -0.825  -2.386   3.544
  152   HD21  LEU  19          HD21      LEU  19  -1.114   0.009   0.677
  153   HD22  LEU  19          HD22      LEU  19  -1.576   0.921   2.113
  154   HD23  LEU  19          HD23      LEU  19  -2.812   0.367   0.987
  155    H    GLN  20           HN       GLN  20  -0.627  -4.627   0.644
  156    HA   GLN  20           HA       GLN  20   1.910  -3.550   1.373
  157    HB2  GLN  20           HB2      GLN  20   0.876  -5.486   2.504
  158    HB3  GLN  20           HB1      GLN  20   1.086  -6.433   1.043
  159    HG2  GLN  20           HG2      GLN  20   3.461  -6.346   1.234
  160    HG3  GLN  20           HG1      GLN  20   3.361  -5.190   2.561
  161   HE21  GLN  20          HE21      GLN  20   1.145  -6.509   3.855
  162   HE22  GLN  20          HE22      GLN  20   1.781  -7.945   4.578
  163    H    HMR  21           HN       B3R  21   0.884  -5.750  -1.264
  164    HB   HMR  21           HB       B3R  21   3.427  -5.026  -2.567
  165    HB2  HMR  21           HG1      B3R  21   3.310  -7.231  -3.667
  166    HB3  HMR  21           HG2      B3R  21   1.643  -7.460  -3.165
  167    HG2  HMR  21           HD1      B3R  21   2.329  -7.705  -0.862
  168    HG3  HMR  21           HD2      B3R  21   4.007  -7.391  -1.307
  169    HD2  HMR  21           HE1      B3R  21   4.221  -9.428  -2.419
  170    HD3  HMR  21           HE2      B3R  21   2.478  -9.640  -2.565
  171    HE   HMR  21           HF       B3R  21   2.575  -9.859  -0.020
  172    HH1  HMR  21          HH11      B3R  21   5.116 -10.937  -2.187
  173   HH21  HMR  21          HH21      B3R  21   4.668 -12.487   0.922
  174   HH22  HMR  21          HH22      B3R  21   3.331 -11.486   1.395
  175    HC1  HMR  21           HA1      B3R  21   1.825  -5.646  -4.691
  176    HC2  HMR  21           HA2      B3R  21   0.609  -5.007  -3.592
  177    HH2  HMR  21          HH12      B3R  21   5.681 -12.175  -1.112
  178    H    HIS  22           HN       HIS  22   0.750  -2.906  -2.884
  179    HA   HIS  22           HA       HIS  22   1.952  -1.125  -4.820
  180    HB2  HIS  22           HB2      HIS  22  -0.292  -0.595  -4.344
  181    HB3  HIS  22           HB1      HIS  22  -0.063  -0.790  -2.611
  182    HD1  HIS  22           HD1      HIS  22   0.266   1.743  -5.364
  183    HD2  HIS  22           HD2      HIS  22   1.160   1.348  -1.310
  184    HE1  HIS  22           HE1      HIS  22   0.892   4.068  -4.518
  185    H    LYS  23           HN       LYS  23   2.026  -1.587  -1.278
  186    HA   LYS  23           HA       LYS  23   3.644   0.534  -0.579
  187    HB2  LYS  23           HB2      LYS  23   2.515  -1.108   0.985
  188    HB3  LYS  23           HB1      LYS  23   3.853  -2.204   0.675
  189    HG2  LYS  23           HG2      LYS  23   4.329  -1.123   2.717
  190    HG3  LYS  23           HG1      LYS  23   5.391  -0.396   1.512
  191    HD2  LYS  23           HD2      LYS  23   4.461   1.331   2.940
  192    HD3  LYS  23           HD1      LYS  23   3.819   1.495   1.307
  193    HE2  LYS  23           HE2      LYS  23   1.753   0.393   1.986
  194    HE3  LYS  23           HE1      LYS  23   2.398   0.155   3.609
  195    HZ1  LYS  23           HZ1      LYS  23   2.520   2.572   3.851
  196    HZ2  LYS  23           HZ2      LYS  23   0.939   2.052   3.558
  197    HZ3  LYS  23           HZ3      LYS  23   1.834   2.769   2.316
  198    H    HMR  24           HN       B3R  24   4.574  -2.681  -1.701
  199    HB   HMR  24           HB       B3R  24   7.325  -1.710  -1.926
  200    HB2  HMR  24           HG1      B3R  24   6.119  -4.491  -2.464
  201    HB3  HMR  24           HG2      B3R  24   6.863  -4.016  -0.947
  202    HG2  HMR  24           HD1      B3R  24   9.009  -3.780  -2.028
  203    HG3  HMR  24           HD2      B3R  24   8.286  -4.144  -3.593
  204    HD2  HMR  24           HE1      B3R  24   7.669  -6.367  -2.797
  205    HD3  HMR  24           HE2      B3R  24   8.386  -6.004  -1.230
  206    HE   HMR  24           HF       B3R  24  10.479  -5.606  -2.769
  207    HH1  HMR  24          HH21      B3R  24  11.943  -7.123  -3.644
  208   HH21  HMR  24          HH11      B3R  24   8.103  -8.170  -2.945
  209   HH22  HMR  24          HH12      B3R  24   9.218  -9.325  -3.606
  210    HC1  HMR  24           HA1      B3R  24   6.891  -3.129  -4.303
  211    HC2  HMR  24           HA2      B3R  24   5.417  -2.200  -4.113
  212    HH2  HMR  24          HH22      B3R  24  11.393  -8.731  -4.001
  213    H    THR  25           HN       THR  25   5.501   0.048  -4.081
  214    HA   THR  25           HA       THR  25   7.651   1.024  -5.774
  215    HB   THR  25           HB       THR  25   5.285   1.421  -6.423
  216    HG1  THR  25           HG1      THR  25   7.294   3.271  -6.267
  217   HG21  THR  25          HG21      THR  25   4.030   3.207  -5.269
  218   HG22  THR  25          HG22      THR  25   5.284   3.265  -4.029
  219   HG23  THR  25          HG23      THR  25   4.306   1.810  -4.228
  220    H    HIS  26           HN       HIS  26   6.754   1.176  -2.476
  221    HA   HIS  26           HA       HIS  26   8.452   3.551  -2.090
  222    HB2  HIS  26           HB2      HIS  26   6.702   2.178  -0.036
  223    HB3  HIS  26           HB1      HIS  26   7.556   3.701   0.165
  224    HD1  HIS  26           HD1      HIS  26   6.631   5.555  -1.902
  225    HD2  HIS  26           HD2      HIS  26   4.129   2.562  -0.439
  226    HE1  HIS  26           HE1      HIS  26   4.239   6.328  -2.329
  227    HG   B3T  27           HG       B3T  27  10.106  -1.011   2.133
  228   HOD1  B3T  27           HD1      B3T  27   7.786   0.335   2.518
  229   H1D2  B3T  27          HD21      B3T  27  11.017   1.258   2.098
  230   H2D2  B3T  27          HD22      B3T  27   9.847   1.067   3.402
  231   H3D2  B3T  27          HD23      B3T  27   9.388   1.914   1.926
  232    HA   B3T  27           HA       B3T  27  10.679   0.154   0.014
  233    H    B3T  27           H        B3T  27   7.787   0.479  -0.437
  234    HB1  B3T  27           HA1      B3T  27   9.270  -1.518  -1.433
  235    HB2  B3T  27           HA2      B3T  27   8.721  -2.107   0.131
  236    H    GLY  28           HN       GLY  28   9.815  -3.744   0.911
  237    HA2  GLY  28           HA2      GLY  28  11.507  -5.256   1.257
  238    HA3  GLY  28           HA1      GLY  28  12.293  -4.612  -0.175
  239    H    GLU  29           HN       GLU  29  13.919  -5.352   1.800
  240    HA   GLU  29           HA       GLU  29  15.688  -4.643   3.040
  241    HB2  GLU  29           HB2      GLU  29  15.047  -1.958   1.801
  242    HB3  GLU  29           HB1      GLU  29  16.561  -2.395   2.580
  243    HG2  GLU  29           HG2      GLU  29  17.101  -3.926   0.859
  244    HG3  GLU  29           HG1      GLU  29  15.485  -3.816   0.161
  245    H    LYS  30           HN       LYS  30  13.336  -4.842   4.451
  246    HA   LYS  30           HA       LYS  30  13.796  -2.878   6.544
  247    HB2  LYS  30           HB2      LYS  30  11.336  -2.430   6.760
  248    HB3  LYS  30           HB1      LYS  30  12.072  -1.754   5.314
  249    HG2  LYS  30           HG2      LYS  30  11.168  -3.561   3.976
  250    HG3  LYS  30           HG1      LYS  30  10.484  -4.309   5.420
  251    HD2  LYS  30           HD2      LYS  30   9.100  -2.304   5.778
  252    HD3  LYS  30           HD1      LYS  30   9.761  -1.603   4.297
  253    HE2  LYS  30           HE2      LYS  30   8.831  -3.438   2.996
  254    HE3  LYS  30           HE1      LYS  30   8.206  -4.183   4.465
  255    HZ1  LYS  30           HZ1      LYS  30   6.826  -2.197   4.793
  256    HZ2  LYS  30           HZ2      LYS  30   6.465  -2.994   3.348
  257    HZ3  LYS  30           HZ3      LYS  30   7.382  -1.571   3.322
  258    HN1  NH2  31           HN1      NH2  31  14.684  -5.100   7.086
  259    HN2  NH2  31           HN2      NH2  31  13.642  -6.130   8.004
  Start of MODEL    8
    1    H2   PRO   1           HT1      PRO   1 -10.928   0.144   5.146
    2    H3   PRO   1           HT2      PRO   1 -11.648  -1.142   4.449
    3    HA   PRO   1           HA       PRO   1 -10.345  -1.155   2.795
    4    HB2  PRO   1           HB2      PRO   1  -9.807   1.457   1.958
    5    HB3  PRO   1           HB1      PRO   1 -11.029   0.370   1.271
    6    HG2  PRO   1           HG2      PRO   1 -11.328   2.517   3.308
    7    HG3  PRO   1           HG1      PRO   1 -12.452   2.017   2.035
    8    HD2  PRO   1           HD2      PRO   1 -12.886   1.345   4.578
    9    HD3  PRO   1           HD1      PRO   1 -13.237   0.207   3.268
   10    H    PHE   2           HN       PHE   2  -8.136  -0.020   2.074
   11    HA   PHE   2           HA       PHE   2  -6.667   0.685   4.522
   12    HB2  PHE   2           HB2      PHE   2  -5.591  -0.997   2.249
   13    HB3  PHE   2           HB1      PHE   2  -4.806  -0.660   3.788
   14    HD1  PHE   2           HD1      PHE   2  -7.352  -2.643   2.080
   15    HD2  PHE   2           HD2      PHE   2  -5.500  -1.783   5.812
   16    HE1  PHE   2           HE1      PHE   2  -8.360  -4.666   3.041
   17    HE2  PHE   2           HE2      PHE   2  -6.501  -3.816   6.776
   18    HZ   PHE   2           HZ       PHE   2  -7.935  -5.252   5.389
   19    HE3  9KK   3           HE3      MEB   3  -6.627   9.427   2.399
   20    HE2  9KK   3           HE2      MEB   3  -4.939   8.917   2.387
   21    HE1  9KK   3           HE1      MEB   3  -6.009   8.462   1.060
   22    HD2  9KK   3           HD1      MEB   3  -6.253   7.550   3.924
   23    HD3  9KK   3           HD2      MEB   3  -7.337   7.100   2.598
   24    HG2  9KK   3           HG1      MEB   3  -5.400   6.128   1.397
   25    HG3  9KK   3           HG2      MEB   3  -4.385   6.499   2.791
   26    HB2  9KK   3           HB1      MEB   3  -5.638   5.012   4.181
   27    HB3  9KK   3           HB2      MEB   3  -6.829   4.747   2.913
   28    HA   9KK   3           HA       MEB   3  -5.137   3.630   1.535
   29    HM1  9KK   3           HM1      MEB   3  -6.336   2.684   5.245
   30    HM3  9KK   3           HM3      MEB   3  -4.979   1.572   5.093
   31    HM2  9KK   3           HM2      MEB   3  -4.692   3.312   5.128
   32    H    CYS   4           HN       CYS   4  -3.147   3.706   0.886
   33    HA   CYS   4           HA       CYS   4  -0.883   3.577   2.583
   34    HB2  CYS   4           HB2      CYS   4  -0.829   2.774   0.260
   35    HB3  CYS   4           HB1      CYS   4  -1.096   4.417  -0.317
   36    H    THR   5           HN       THR   5  -0.800   5.214   4.042
   37    HA   THR   5           HA       THR   5  -1.198   7.963   3.151
   38    HB   THR   5           HB       THR   5  -0.617   7.113   5.982
   39    HG1  THR   5           HG1      THR   5  -2.559   6.102   4.572
   40   HG21  THR   5          HG21      THR   5  -2.057   9.035   6.511
   41   HG22  THR   5          HG22      THR   5  -2.293   9.331   4.789
   42   HG23  THR   5          HG23      THR   5  -0.691   9.516   5.506
   43    H    TRP   6           HN       TRP   6   1.026   6.898   2.049
   44    HA   TRP   6           HA       TRP   6   3.390   7.434   3.596
   45    HB2  TRP   6           HB2      TRP   6   3.176   5.703   1.737
   46    HB3  TRP   6           HB1      TRP   6   3.177   7.044   0.607
   47    HD1  TRP   6           HD1      TRP   6   5.485   8.418   0.339
   48    HE1  TRP   6           HE1      TRP   6   7.926   7.710   0.760
   49    HE3  TRP   6           HE3      TRP   6   4.640   4.273   3.198
   50    HZ2  TRP   6           HZ2      TRP   6   9.303   5.654   2.117
   51    HZ3  TRP   6           HZ3      TRP   6   6.569   2.987   4.012
   52    HH2  TRP   6           HH2      TRP   6   8.850   3.662   3.480
   53    H    AIB   7           HN       AIB   7   4.907   9.098   3.110
   54   HB11  AIB   7          HB11      AIB   7   6.330  12.289   2.368
   55   HB12  AIB   7          HB12      AIB   7   6.703  10.588   2.087
   56   HB13  AIB   7          HB13      AIB   7   6.199  11.128   3.688
   57   HB21  AIB   7          HB21      AIB   7   3.993  11.896   4.099
   58   HB22  AIB   7          HB22      AIB   7   2.725  11.770   2.884
   59   HB23  AIB   7          HB23      AIB   7   3.976  13.001   2.724
   60    H    GLY   8           HN       GLY   8   2.725  12.225   1.035
   61    HA2  GLY   8           HA2      GLY   8   2.605  13.142  -1.121
   62    HA3  GLY   8           HA1      GLY   8   4.077  12.278  -1.545
   63    H    CYS   9           HN       CYS   9   1.619  10.473   0.043
   64    HA   CYS   9           HA       CYS   9   0.586   9.471  -2.508
   65    HB2  CYS   9           HB2      CYS   9   2.570   8.102  -1.657
   66    HB3  CYS   9           HB1      CYS   9   1.526   7.619  -0.327
   67    H    GLY  10           HN       GLY  10  -1.443   8.358  -2.313
   68    HA2  GLY  10           HA2      GLY  10  -2.707   8.165   0.282
   69    HA3  GLY  10           HA1      GLY  10  -3.389   9.395  -0.775
   70    H    LYS  11           HN       LYS  11  -2.052   6.315  -1.787
   71    HA   LYS  11           HA       LYS  11  -4.343   5.779  -3.405
   72    HB2  LYS  11           HB2      LYS  11  -1.896   4.128  -2.751
   73    HB3  LYS  11           HB1      LYS  11  -3.127   3.637  -3.904
   74    HG2  LYS  11           HG2      LYS  11  -1.565   6.195  -4.156
   75    HG3  LYS  11           HG1      LYS  11  -1.058   4.668  -4.881
   76    HD2  LYS  11           HD2      LYS  11  -3.204   4.577  -6.103
   77    HD3  LYS  11           HD1      LYS  11  -3.631   6.149  -5.429
   78    HE2  LYS  11           HE2      LYS  11  -1.231   5.593  -7.171
   79    HE3  LYS  11           HE1      LYS  11  -2.744   6.304  -7.724
   80    HZ1  LYS  11           HZ1      LYS  11  -2.367   8.151  -6.176
   81    HZ2  LYS  11           HZ2      LYS  11  -1.131   8.022  -7.319
   82    HZ3  LYS  11           HZ3      LYS  11  -0.876   7.479  -5.738
   83    HA   MMO  12           HA       MER  12  -6.057   2.991  -0.354
   84   HCB1  MMO  12           HB1      MER  12  -8.518   3.358  -0.492
   85   HCB2  MMO  12           HB2      MER  12  -8.271   4.227  -2.001
   86   HCG1  MMO  12           HG1      MER  12  -7.004   5.932  -0.867
   87   HCG2  MMO  12           HG2      MER  12  -7.077   5.021   0.643
   88   HCD1  MMO  12           HD1      MER  12  -8.696   6.838   0.639
   89   HCD2  MMO  12           HD2      MER  12  -9.493   5.268   0.699
   90   HH21  MMO  12          HH11      MER  12 -10.270   7.869   0.779
   91   HH22  MMO  12          HH12      MER  12 -11.426   8.810  -0.106
   92   HH11  MMO  12          HH21      MER  12 -11.902   8.295  -2.292
   93    HC1  MMO  12           HM1      MER  12  -6.477   5.524  -3.432
   94    HC2  MMO  12           HM2      MER  12  -7.109   3.904  -3.729
   95    HC3  MMO  12           HM3      MER  12  -5.468   4.317  -4.229
   96    HE   MMO  12           HE       MER  12  -9.570   5.737  -1.904
   97   HH12  MMO  12          HH22      MER  12 -11.111   6.960  -3.064
   98    H    PHE  13           HN       PHE  13  -6.710   0.940  -0.152
   99    HA   PHE  13           HA       PHE  13  -7.456  -0.555  -2.567
  100    HB2  PHE  13           HB2      PHE  13  -5.272  -1.315  -0.611
  101    HB3  PHE  13           HB1      PHE  13  -5.820  -2.307  -1.958
  102    HD1  PHE  13           HD1      PHE  13  -5.250  -1.740  -4.229
  103    HD2  PHE  13           HD2      PHE  13  -3.917   0.651  -0.975
  104    HE1  PHE  13           HE1      PHE  13  -3.620  -0.655  -5.709
  105    HE2  PHE  13           HE2      PHE  13  -2.274   1.743  -2.448
  106    HZ   PHE  13           HZ       PHE  13  -2.165   1.169  -4.805
  107    H    THR  14           HN       THR  14  -8.444  -2.633  -2.102
  108    HA   THR  14           HA       THR  14  -9.896  -2.552   0.444
  109    HB   THR  14           HB       THR  14 -11.278  -2.597  -1.582
  110    HG1  THR  14           HG1      THR  14 -11.753  -3.902   0.477
  111   HG21  THR  14          HG21      THR  14 -11.353  -4.580  -3.016
  112   HG22  THR  14          HG22      THR  14 -10.012  -5.284  -2.116
  113   HG23  THR  14          HG23      THR  14  -9.763  -3.818  -3.063
  114    H    ARG  15           HN       ARG  15  -7.205  -3.995  -0.763
  115    HA   ARG  15           HA       ARG  15  -7.493  -6.240   1.114
  116    HB2  ARG  15           HB2      ARG  15  -6.157  -6.294  -1.594
  117    HB3  ARG  15           HB1      ARG  15  -6.018  -7.572  -0.397
  118    HG2  ARG  15           HG2      ARG  15  -8.428  -7.947  -0.513
  119    HG3  ARG  15           HG1      ARG  15  -8.567  -6.661  -1.712
  120    HD2  ARG  15           HD2      ARG  15  -7.089  -7.919  -3.215
  121    HD3  ARG  15           HD1      ARG  15  -6.989  -9.209  -2.019
  122    HE   ARG  15           HE       ARG  15  -9.651  -8.482  -2.946
  123   HH11  ARG  15          HH11      ARG  15  -6.928 -10.664  -3.173
  124   HH12  ARG  15          HH12      ARG  15  -7.839 -11.929  -3.936
  125   HH21  ARG  15          HH21      ARG  15 -10.862 -10.144  -3.936
  126   HH22  ARG  15          HH22      ARG  15 -10.088 -11.641  -4.353
  127    H    SER  16           HN       SER  16  -5.989  -6.304   2.617
  128    HA   SER  16           HA       SER  16  -4.032  -4.313   2.897
  129    HB2  SER  16           HB2      SER  16  -3.196  -5.824   4.770
  130    HB3  SER  16           HB1      SER  16  -4.889  -5.338   4.872
  131    HG   SER  16           HG       SER  16  -5.464  -7.347   4.670
  132    HG3  B3D  17           HG2      B3D  17  -0.652  -9.478   1.088
  133    HG2  B3D  17           HG1      B3D  17  -1.420  -8.998   2.594
  134    HA   B3D  17           HA       B3D  17  -1.093  -7.042   0.929
  135    H    B3D  17           HN       B3D  17  -3.839  -7.657   1.782
  136    HB1  B3D  17           HB1      B3D  17  -1.925  -8.963  -0.860
  137    HB2  B3D  17           HB2      B3D  17  -3.433  -8.104  -0.576
  138    H    GLU  18           HN       GLU  18  -3.822  -6.351  -1.654
  139    HA   GLU  18           HA       GLU  18  -1.997  -5.525  -3.691
  140    HB2  GLU  18           HB2      GLU  18  -4.705  -4.455  -2.887
  141    HB3  GLU  18           HB1      GLU  18  -3.818  -3.958  -4.322
  142    HG2  GLU  18           HG2      GLU  18  -4.703  -6.778  -3.769
  143    HG3  GLU  18           HG1      GLU  18  -5.604  -5.625  -4.749
  144    H    LEU  19           HN       LEU  19  -3.114  -4.223  -0.621
  145    HA   LEU  19           HA       LEU  19  -2.044  -1.638  -0.925
  146    HB2  LEU  19           HB2      LEU  19  -3.686  -2.220   0.794
  147    HB3  LEU  19           HB1      LEU  19  -2.527  -3.274   1.568
  148    HG   LEU  19           HG       LEU  19  -2.980  -1.000   2.638
  149   HD11  LEU  19          HD11      LEU  19  -1.158  -2.397   3.357
  150   HD12  LEU  19          HD12      LEU  19  -0.635  -0.716   3.309
  151   HD13  LEU  19          HD13      LEU  19  -0.150  -1.825   2.029
  152   HD21  LEU  19          HD21      LEU  19  -1.610   0.859   1.786
  153   HD22  LEU  19          HD22      LEU  19  -2.895   0.396   0.679
  154   HD23  LEU  19          HD23      LEU  19  -1.233  -0.096   0.353
  155    H    GLN  20           HN       GLN  20  -0.720  -4.518   0.700
  156    HA   GLN  20           HA       GLN  20   1.785  -3.296   1.237
  157    HB2  GLN  20           HB2      GLN  20   0.866  -5.198   2.535
  158    HB3  GLN  20           HB1      GLN  20   1.125  -6.240   1.146
  159    HG2  GLN  20           HG2      GLN  20   2.879  -6.448   2.859
  160    HG3  GLN  20           HG1      GLN  20   3.501  -5.947   1.287
  161   HE21  GLN  20          HE21      GLN  20   4.328  -3.874   1.037
  162   HE22  GLN  20          HE22      GLN  20   4.706  -2.865   2.389
  163    H    HMR  21           HN       B3R  21   0.753  -5.651  -1.235
  164    HB   HMR  21           HB       B3R  21   3.306  -5.093  -2.591
  165    HB2  HMR  21           HG1      B3R  21   2.929  -7.277  -3.716
  166    HB3  HMR  21           HG2      B3R  21   1.286  -7.362  -3.102
  167    HG2  HMR  21           HD1      B3R  21   2.228  -7.506  -0.802
  168    HG3  HMR  21           HD2      B3R  21   3.831  -7.631  -1.529
  169    HD2  HMR  21           HE1      B3R  21   2.885  -9.827  -0.955
  170    HD3  HMR  21           HE2      B3R  21   3.193  -9.653  -2.681
  171    HE   HMR  21           HF       B3R  21   0.595  -8.928  -2.439
  172    HH1  HMR  21          HH11      B3R  21   2.412 -11.724  -1.396
  173   HH21  HMR  21          HH21      B3R  21  -0.979 -12.033  -2.209
  174   HH22  HMR  21          HH22      B3R  21  -1.192 -10.359  -2.613
  175    HC1  HMR  21           HA1      B3R  21   1.672  -5.570  -4.711
  176    HC2  HMR  21           HA2      B3R  21   0.487  -4.868  -3.615
  177    HH2  HMR  21          HH12      B3R  21   1.064 -12.809  -1.520
  178    H    HIS  22           HN       HIS  22   0.561  -2.777  -3.102
  179    HA   HIS  22           HA       HIS  22   1.889  -1.084  -5.003
  180    HB2  HIS  22           HB2      HIS  22  -0.330  -0.460  -4.566
  181    HB3  HIS  22           HB1      HIS  22  -0.138  -0.648  -2.827
  182    HD1  HIS  22           HD1      HIS  22   0.372   1.844  -5.603
  183    HD2  HIS  22           HD2      HIS  22   1.069   1.483  -1.508
  184    HE1  HIS  22           HE1      HIS  22   1.058   4.152  -4.772
  185    H    LYS  23           HN       LYS  23   1.852  -1.314  -1.436
  186    HA   LYS  23           HA       LYS  23   3.484   0.815  -0.828
  187    HB2  LYS  23           HB2      LYS  23   2.254  -0.602   0.818
  188    HB3  LYS  23           HB1      LYS  23   3.482  -1.843   0.618
  189    HG2  LYS  23           HG2      LYS  23   4.111  -0.748   2.567
  190    HG3  LYS  23           HG1      LYS  23   5.151  -0.034   1.334
  191    HD2  LYS  23           HD2      LYS  23   4.308   1.721   2.752
  192    HD3  LYS  23           HD1      LYS  23   3.561   1.866   1.162
  193    HE2  LYS  23           HE2      LYS  23   1.514   0.906   1.954
  194    HE3  LYS  23           HE1      LYS  23   2.254   0.470   3.493
  195    HZ1  LYS  23           HZ1      LYS  23   1.820   3.246   2.525
  196    HZ2  LYS  23           HZ2      LYS  23   2.491   2.808   4.018
  197    HZ3  LYS  23           HZ3      LYS  23   0.873   2.451   3.680
  198    H    HMR  24           HN       B3R  24   4.444  -2.496  -1.603
  199    HB   HMR  24           HB       B3R  24   7.229  -1.621  -1.642
  200    HB2  HMR  24           HG1      B3R  24   5.921  -4.376  -2.103
  201    HB3  HMR  24           HG2      B3R  24   6.566  -3.824  -0.565
  202    HG2  HMR  24           HD1      B3R  24   8.810  -3.760  -1.524
  203    HG3  HMR  24           HD2      B3R  24   8.160  -4.320  -3.065
  204    HD2  HMR  24           HE1      B3R  24   7.402  -6.380  -2.026
  205    HD3  HMR  24           HE2      B3R  24   7.991  -5.821  -0.460
  206    HE   HMR  24           HF       B3R  24  10.119  -5.767  -2.276
  207    HH1  HMR  24          HH21      B3R  24  11.704  -7.405  -2.278
  208   HH21  HMR  24          HH11      B3R  24   8.066  -8.113  -0.672
  209   HH22  HMR  24          HH12      B3R  24   9.275  -9.355  -0.676
  210    HC1  HMR  24           HA1      B3R  24   7.034  -3.149  -3.960
  211    HC2  HMR  24           HA2      B3R  24   5.528  -2.248  -3.988
  212    HH2  HMR  24          HH22      B3R  24  11.341  -8.955  -1.588
  213    H    THR  25           HN       THR  25   5.582   0.012  -4.028
  214    HA   THR  25           HA       THR  25   7.730   0.917  -5.732
  215    HB   THR  25           HB       THR  25   5.380   1.380  -6.321
  216    HG1  THR  25           HG1      THR  25   6.993   2.772  -7.140
  217   HG21  THR  25          HG21      THR  25   4.437   1.780  -4.118
  218   HG22  THR  25          HG22      THR  25   4.170   3.183  -5.151
  219   HG23  THR  25          HG23      THR  25   5.438   3.220  -3.926
  220    H    HIS  26           HN       HIS  26   6.683   1.473  -2.433
  221    HA   HIS  26           HA       HIS  26   8.588   3.701  -2.196
  222    HB2  HIS  26           HB2      HIS  26   6.774   2.665  -0.018
  223    HB3  HIS  26           HB1      HIS  26   7.620   4.201  -0.067
  224    HD1  HIS  26           HD1      HIS  26   6.629   5.833  -2.222
  225    HD2  HIS  26           HD2      HIS  26   4.228   2.857  -0.563
  226    HE1  HIS  26           HE1      HIS  26   4.207   6.483  -2.716
  227    HG   B3T  27           HG       B3T  27   9.406  -1.412   1.849
  228   HOD1  B3T  27           HD1      B3T  27   7.696  -2.313   1.010
  229   H1D2  B3T  27          HD21      B3T  27   9.226   0.832   2.797
  230   H2D2  B3T  27          HD22      B3T  27   7.807  -0.132   3.200
  231   H3D2  B3T  27          HD23      B3T  27   7.714   1.086   1.928
  232    HA   B3T  27           HA       B3T  27  10.329   0.533   0.652
  233    H    B3T  27           H        B3T  27   7.751   0.600  -0.724
  234    HB1  B3T  27           HA1      B3T  27  10.151  -0.708  -1.721
  235    HB2  B3T  27           HA2      B3T  27   9.499  -1.976  -0.688
  236    H    GLY  28           HN       GLY  28  11.290  -3.310  -1.118
  237    HA2  GLY  28           HA2      GLY  28  13.584  -3.868  -1.017
  238    HA3  GLY  28           HA1      GLY  28  13.878  -2.394  -0.107
  239    H    GLU  29           HN       GLU  29  13.173  -2.325   2.121
  240    HA   GLU  29           HA       GLU  29  13.810  -4.753   3.477
  241    HB2  GLU  29           HB2      GLU  29  12.780  -2.131   4.582
  242    HB3  GLU  29           HB1      GLU  29  13.400  -3.455   5.547
  243    HG2  GLU  29           HG2      GLU  29  15.194  -2.025   5.448
  244    HG3  GLU  29           HG1      GLU  29  15.552  -3.166   4.156
  245    H    LYS  30           HN       LYS  30  10.867  -2.772   3.249
  246    HA   LYS  30           HA       LYS  30   9.328  -4.916   4.498
  247    HB2  LYS  30           HB2      LYS  30   8.908  -2.594   5.218
  248    HB3  LYS  30           HB1      LYS  30   8.460  -2.163   3.576
  249    HG2  LYS  30           HG2      LYS  30   6.607  -3.835   3.727
  250    HG3  LYS  30           HG1      LYS  30   7.003  -4.022   5.437
  251    HD2  LYS  30           HD2      LYS  30   6.240  -1.422   4.107
  252    HD3  LYS  30           HD1      LYS  30   5.140  -2.441   5.038
  253    HE2  LYS  30           HE2      LYS  30   7.666  -1.190   6.115
  254    HE3  LYS  30           HE1      LYS  30   6.047  -0.533   6.333
  255    HZ1  LYS  30           HZ1      LYS  30   7.039  -3.146   7.333
  256    HZ2  LYS  30           HZ2      LYS  30   5.442  -2.610   7.469
  257    HZ3  LYS  30           HZ3      LYS  30   6.680  -1.781   8.262
  258    HN1  NH2  31           HN1      NH2  31   9.236  -6.494   2.988
  259    HN2  NH2  31           HN2      NH2  31   8.447  -6.331   1.458
  Start of MODEL    9
    1    H2   PRO   1           HT1      PRO   1 -10.207   1.135   1.824
    2    H3   PRO   1           HT2      PRO   1 -11.548   1.778   2.495
    3    HA   PRO   1           HA       PRO   1 -11.322   0.804   4.362
    4    HB2  PRO   1           HB2      PRO   1 -10.029  -1.678   3.928
    5    HB3  PRO   1           HB1      PRO   1 -11.732  -1.408   4.332
    6    HG2  PRO   1           HG2      PRO   1 -10.463  -1.814   1.682
    7    HG3  PRO   1           HG1      PRO   1 -12.086  -2.255   2.238
    8    HD2  PRO   1           HD2      PRO   1 -11.741  -0.200   0.581
    9    HD3  PRO   1           HD1      PRO   1 -12.924  -0.107   1.896
   10    H    PHE   2           HN       PHE   2  -8.626  -0.420   2.333
   11    HA   PHE   2           HA       PHE   2  -6.760   0.444   4.405
   12    HB2  PHE   2           HB2      PHE   2  -6.276  -1.120   1.857
   13    HB3  PHE   2           HB1      PHE   2  -5.080  -0.813   3.112
   14    HD1  PHE   2           HD1      PHE   2  -7.818  -2.900   2.051
   15    HD2  PHE   2           HD2      PHE   2  -5.413  -1.794   5.381
   16    HE1  PHE   2           HE1      PHE   2  -8.540  -4.926   3.240
   17    HE2  PHE   2           HE2      PHE   2  -6.126  -3.828   6.573
   18    HZ   PHE   2           HZ       PHE   2  -7.692  -5.394   5.501
   19    HE3  9KK   3           HE3      MEB   3  -6.221   8.210   1.083
   20    HE2  9KK   3           HE2      MEB   3  -6.746   9.118   2.499
   21    HE1  9KK   3           HE1      MEB   3  -5.058   8.629   2.341
   22    HD2  9KK   3           HD1      MEB   3  -6.242   7.191   3.923
   23    HD3  9KK   3           HD2      MEB   3  -7.420   6.779   2.667
   24    HG2  9KK   3           HG1      MEB   3  -5.581   5.852   1.294
   25    HG3  9KK   3           HG2      MEB   3  -4.454   6.202   2.606
   26    HB2  9KK   3           HB1      MEB   3  -5.642   4.687   4.071
   27    HB3  9KK   3           HB2      MEB   3  -6.844   4.379   2.823
   28    HA   9KK   3           HA       MEB   3  -5.102   3.380   1.400
   29    HM1  9KK   3           HM1      MEB   3  -4.051   2.489   4.692
   30    HM3  9KK   3           HM3      MEB   3  -5.695   2.171   5.243
   31    HM2  9KK   3           HM2      MEB   3  -4.733   0.870   4.538
   32    H    CYS   4           HN       CYS   4  -3.078   3.476   0.794
   33    HA   CYS   4           HA       CYS   4  -0.844   3.504   2.540
   34    HB2  CYS   4           HB2      CYS   4  -0.577   2.690   0.266
   35    HB3  CYS   4           HB1      CYS   4  -1.075   4.250  -0.383
   36    H    THR   5           HN       THR   5  -0.641   5.153   3.937
   37    HA   THR   5           HA       THR   5  -1.178   7.869   2.975
   38    HB   THR   5           HB       THR   5  -0.683   7.161   5.859
   39    HG1  THR   5           HG1      THR   5  -2.632   6.149   4.343
   40   HG21  THR   5          HG21      THR   5  -2.392   9.256   4.500
   41   HG22  THR   5          HG22      THR   5  -0.813   9.535   5.236
   42   HG23  THR   5          HG23      THR   5  -2.184   9.065   6.242
   43    H    TRP   6           HN       TRP   6   1.171   6.516   2.159
   44    HA   TRP   6           HA       TRP   6   3.454   7.252   3.639
   45    HB2  TRP   6           HB2      TRP   6   3.400   5.579   1.765
   46    HB3  TRP   6           HB1      TRP   6   3.213   6.914   0.642
   47    HD1  TRP   6           HD1      TRP   6   5.355   8.504   0.256
   48    HE1  TRP   6           HE1      TRP   6   7.869   8.062   0.578
   49    HE3  TRP   6           HE3      TRP   6   5.069   4.344   3.206
   50    HZ2  TRP   6           HZ2      TRP   6   9.511   6.189   1.908
   51    HZ3  TRP   6           HZ3      TRP   6   7.157   3.285   3.955
   52    HH2  TRP   6           HH2      TRP   6   9.330   4.188   3.319
   53    H    AIB   7           HN       AIB   7   4.848   9.002   3.365
   54   HB11  AIB   7          HB11      AIB   7   6.610  10.676   2.701
   55   HB12  AIB   7          HB12      AIB   7   5.880  11.068   4.258
   56   HB13  AIB   7          HB13      AIB   7   6.087  12.325   3.039
   57   HB21  AIB   7          HB21      AIB   7   2.491  11.585   3.031
   58   HB22  AIB   7          HB22      AIB   7   3.697  12.864   3.198
   59   HB23  AIB   7          HB23      AIB   7   3.555  11.617   4.437
   60    H    GLY   8           HN       GLY   8   2.809  12.359   1.306
   61    HA2  GLY   8           HA2      GLY   8   3.017  13.403  -0.799
   62    HA3  GLY   8           HA1      GLY   8   4.398  12.372  -1.146
   63    H    CYS   9           HN       CYS   9   2.168  10.370   0.114
   64    HA   CYS   9           HA       CYS   9   1.068   9.704  -2.534
   65    HB2  CYS   9           HB2      CYS   9   2.785   8.130  -1.464
   66    HB3  CYS   9           HB1      CYS   9   1.543   7.765  -0.275
   67    H    GLY  10           HN       GLY  10  -0.796   7.845  -1.784
   68    HA2  GLY  10           HA2      GLY  10  -2.483   8.176   0.301
   69    HA3  GLY  10           HA1      GLY  10  -2.863   9.563  -0.710
   70    H    LYS  11           HN       LYS  11  -2.330   6.060  -1.079
   71    HA   LYS  11           HA       LYS  11  -4.437   6.044  -3.132
   72    HB2  LYS  11           HB2      LYS  11  -2.194   4.063  -2.680
   73    HB3  LYS  11           HB1      LYS  11  -3.372   3.994  -3.981
   74    HG2  LYS  11           HG2      LYS  11  -1.347   6.189  -3.581
   75    HG3  LYS  11           HG1      LYS  11  -1.199   4.851  -4.721
   76    HD2  LYS  11           HD2      LYS  11  -3.269   5.622  -5.831
   77    HD3  LYS  11           HD1      LYS  11  -3.316   7.000  -4.732
   78    HE2  LYS  11           HE2      LYS  11  -1.147   7.751  -5.582
   79    HE3  LYS  11           HE1      LYS  11  -1.104   6.374  -6.683
   80    HZ1  LYS  11           HZ1      LYS  11  -3.104   7.222  -7.748
   81    HZ2  LYS  11           HZ2      LYS  11  -1.852   8.356  -7.814
   82    HZ3  LYS  11           HZ3      LYS  11  -3.116   8.556  -6.707
   83    HA   MMO  12           HA       MER  12  -6.325   3.130  -0.322
   84   HCB1  MMO  12           HB1      MER  12  -8.791   3.358  -0.799
   85   HCB2  MMO  12           HB2      MER  12  -8.364   4.297  -2.220
   86   HCG1  MMO  12           HG1      MER  12  -7.216   5.922  -0.765
   87   HCG2  MMO  12           HG2      MER  12  -7.717   4.981   0.641
   88   HCD1  MMO  12           HD1      MER  12 -10.061   5.336   0.040
   89   HCD2  MMO  12           HD2      MER  12  -9.557   6.298  -1.347
   90   HH21  MMO  12          HH11      MER  12 -10.891   7.579  -1.371
   91   HH22  MMO  12          HH12      MER  12 -11.374   9.173  -0.882
   92   HH11  MMO  12          HH21      MER  12 -10.454  10.136   0.995
   93    HC1  MMO  12           HM1      MER  12  -7.072   3.980  -3.810
   94    HC2  MMO  12           HM2      MER  12  -5.455   4.606  -4.123
   95    HC3  MMO  12           HM3      MER  12  -6.665   5.634  -3.357
   96    HE   MMO  12           HE       MER  12  -8.637   7.172   1.271
   97   HH12  MMO  12          HH22      MER  12  -9.271   9.273   1.926
   98    H    PHE  13           HN       PHE  13  -7.134   1.068  -0.135
   99    HA   PHE  13           HA       PHE  13  -7.321  -0.552  -2.565
  100    HB2  PHE  13           HB2      PHE  13  -5.393  -1.123  -0.303
  101    HB3  PHE  13           HB1      PHE  13  -5.655  -2.137  -1.718
  102    HD1  PHE  13           HD1      PHE  13  -5.015  -1.273  -3.967
  103    HD2  PHE  13           HD2      PHE  13  -3.957   0.720  -0.367
  104    HE1  PHE  13           HE1      PHE  13  -3.303   0.009  -5.181
  105    HE2  PHE  13           HE2      PHE  13  -2.243   2.000  -1.570
  106    HZ   PHE  13           HZ       PHE  13  -1.917   1.650  -3.984
  107    H    THR  14           HN       THR  14  -8.043  -2.736  -2.150
  108    HA   THR  14           HA       THR  14 -10.070  -2.741  -0.045
  109    HB   THR  14           HB       THR  14  -9.754  -4.610  -2.405
  110    HG1  THR  14           HG1      THR  14 -10.389  -2.876  -3.458
  111   HG21  THR  14          HG21      THR  14 -12.118  -5.144  -1.986
  112   HG22  THR  14          HG22      THR  14 -12.096  -4.101  -0.564
  113   HG23  THR  14          HG23      THR  14 -11.102  -5.556  -0.604
  114    H    ARG  15           HN       ARG  15  -7.191  -4.432  -1.077
  115    HA   ARG  15           HA       ARG  15  -7.499  -6.246   1.231
  116    HB2  ARG  15           HB2      ARG  15  -5.948  -6.731  -1.315
  117    HB3  ARG  15           HB1      ARG  15  -6.113  -7.857   0.019
  118    HG2  ARG  15           HG2      ARG  15  -8.403  -6.862  -1.663
  119    HG3  ARG  15           HG1      ARG  15  -7.549  -8.381  -1.928
  120    HD2  ARG  15           HD2      ARG  15  -8.203  -9.095   0.355
  121    HD3  ARG  15           HD1      ARG  15  -9.131  -7.607   0.523
  122    HE   ARG  15           HE       ARG  15 -10.114  -8.684  -1.751
  123   HH11  ARG  15          HH11      ARG  15  -9.681  -9.939   1.490
  124   HH12  ARG  15          HH12      ARG  15 -11.005 -11.054   1.370
  125   HH21  ARG  15          HH21      ARG  15 -11.856 -10.148  -1.908
  126   HH22  ARG  15          HH22      ARG  15 -12.245 -11.166  -0.558
  127    H    SER  16           HN       SER  16  -5.860  -6.419   2.658
  128    HA   SER  16           HA       SER  16  -4.007  -4.285   2.850
  129    HB2  SER  16           HB2      SER  16  -4.995  -5.525   4.804
  130    HB3  SER  16           HB1      SER  16  -3.957  -6.888   4.395
  131    HG   SER  16           HG       SER  16  -3.137  -4.272   5.152
  132    HG3  B3D  17           HG2      B3D  17  -1.202  -8.882   2.444
  133    HG2  B3D  17           HG1      B3D  17  -2.408  -9.651   1.424
  134    HA   B3D  17           HA       B3D  17  -1.041  -6.934   0.859
  135    H    B3D  17           HN       B3D  17  -3.830  -7.516   1.566
  136    HB1  B3D  17           HB1      B3D  17  -1.775  -8.778  -1.011
  137    HB2  B3D  17           HB2      B3D  17  -3.350  -8.061  -0.693
  138    H    GLU  18           HN       GLU  18  -3.867  -6.210  -1.574
  139    HA   GLU  18           HA       GLU  18  -2.304  -5.134  -3.667
  140    HB2  GLU  18           HB2      GLU  18  -4.684  -3.917  -2.265
  141    HB3  GLU  18           HB1      GLU  18  -4.060  -3.446  -3.838
  142    HG2  GLU  18           HG2      GLU  18  -4.688  -5.590  -4.760
  143    HG3  GLU  18           HG1      GLU  18  -5.226  -6.140  -3.174
  144    H    LEU  19           HN       LEU  19  -3.119  -3.989  -0.409
  145    HA   LEU  19           HA       LEU  19  -1.825  -1.512  -0.573
  146    HB2  LEU  19           HB2      LEU  19  -3.457  -2.149   1.164
  147    HB3  LEU  19           HB1      LEU  19  -2.291  -3.253   1.853
  148    HG   LEU  19           HG       LEU  19  -2.643  -1.029   3.035
  149   HD11  LEU  19          HD11      LEU  19  -0.285  -0.777   3.607
  150   HD12  LEU  19          HD12      LEU  19   0.156  -1.783   2.226
  151   HD13  LEU  19          HD13      LEU  19  -0.770  -2.472   3.561
  152   HD21  LEU  19          HD21      LEU  19  -2.663   0.421   1.097
  153   HD22  LEU  19          HD22      LEU  19  -1.000  -0.023   0.716
  154   HD23  LEU  19          HD23      LEU  19  -1.360   0.873   2.191
  155    H    GLN  20           HN       GLN  20  -0.662  -4.562   0.861
  156    HA   GLN  20           HA       GLN  20   1.908  -3.634   1.473
  157    HB2  GLN  20           HB2      GLN  20   0.838  -5.721   2.371
  158    HB3  GLN  20           HB1      GLN  20   1.179  -6.490   0.829
  159    HG2  GLN  20           HG2      GLN  20   2.854  -7.068   2.494
  160    HG3  GLN  20           HG1      GLN  20   3.562  -6.152   1.164
  161   HE21  GLN  20          HE21      GLN  20   1.640  -4.704   3.708
  162   HE22  GLN  20          HE22      GLN  20   2.936  -3.816   4.434
  163    H    HMR  21           HN       B3R  21   0.907  -5.701  -1.297
  164    HB   HMR  21           HB       B3R  21   3.285  -4.599  -2.647
  165    HB2  HMR  21           HG1      B3R  21   3.315  -6.722  -3.983
  166    HB3  HMR  21           HG2      B3R  21   1.878  -7.280  -3.143
  167    HG2  HMR  21           HD1      B3R  21   3.028  -7.613  -1.141
  168    HG3  HMR  21           HD2      B3R  21   4.405  -6.646  -1.672
  169    HD2  HMR  21           HE1      B3R  21   3.569  -9.267  -2.899
  170    HD3  HMR  21           HE2      B3R  21   4.849  -9.081  -1.703
  171    HE   HMR  21           HF       B3R  21   5.072  -7.518  -4.157
  172    HH1  HMR  21          HH11      B3R  21   6.084 -10.292  -2.288
  173   HH21  HMR  21          HH21      B3R  21   8.033  -9.152  -4.981
  174   HH22  HMR  21          HH22      B3R  21   6.964  -7.844  -5.385
  175    HC1  HMR  21           HA1      B3R  21   1.570  -5.448  -4.681
  176    HC2  HMR  21           HA2      B3R  21   0.479  -4.718  -3.504
  177    HH2  HMR  21          HH12      B3R  21   7.530 -10.550  -3.209
  178    H    HIS  22           HN       HIS  22   0.654  -2.605  -2.996
  179    HA   HIS  22           HA       HIS  22   1.923  -0.936  -4.996
  180    HB2  HIS  22           HB2      HIS  22  -0.299  -0.304  -4.557
  181    HB3  HIS  22           HB1      HIS  22  -0.101  -0.484  -2.818
  182    HD1  HIS  22           HD1      HIS  22   0.300   2.015  -5.585
  183    HD2  HIS  22           HD2      HIS  22   1.203   1.624  -1.534
  184    HE1  HIS  22           HE1      HIS  22   0.969   4.333  -4.755
  185    H    LYS  23           HN       LYS  23   1.891  -1.234  -1.434
  186    HA   LYS  23           HA       LYS  23   3.641   0.796  -0.787
  187    HB2  LYS  23           HB2      LYS  23   2.381  -0.559   0.867
  188    HB3  LYS  23           HB1      LYS  23   3.464  -1.908   0.565
  189    HG2  LYS  23           HG2      LYS  23   4.181  -0.879   2.576
  190    HG3  LYS  23           HG1      LYS  23   5.352  -0.443   1.330
  191    HD2  LYS  23           HD2      LYS  23   4.892   1.525   2.609
  192    HD3  LYS  23           HD1      LYS  23   4.120   1.714   1.036
  193    HE2  LYS  23           HE2      LYS  23   2.601   2.470   2.744
  194    HE3  LYS  23           HE1      LYS  23   1.976   0.978   2.045
  195    HZ1  LYS  23           HZ1      LYS  23   2.816  -0.239   3.943
  196    HZ2  LYS  23           HZ2      LYS  23   1.808   1.014   4.468
  197    HZ3  LYS  23           HZ3      LYS  23   3.484   1.170   4.595
  198    H    HMR  24           HN       B3R  24   4.386  -2.560  -1.608
  199    HB   HMR  24           HB       B3R  24   7.205  -1.841  -1.759
  200    HB2  HMR  24           HG1      B3R  24   5.767  -4.517  -2.257
  201    HB3  HMR  24           HG2      B3R  24   6.423  -4.032  -0.701
  202    HG2  HMR  24           HD1      B3R  24   8.673  -4.011  -1.661
  203    HG3  HMR  24           HD2      B3R  24   8.006  -4.524  -3.210
  204    HD2  HMR  24           HE1      B3R  24   7.205  -6.584  -2.223
  205    HD3  HMR  24           HE2      B3R  24   7.784  -6.071  -0.637
  206    HE   HMR  24           HF       B3R  24   9.906  -6.049  -2.506
  207    HH1  HMR  24          HH21      B3R  24  11.506  -7.682  -2.413
  208   HH21  HMR  24          HH11      B3R  24   7.904  -8.249  -0.672
  209   HH22  HMR  24          HH12      B3R  24   9.105  -9.498  -0.608
  210    HC1  HMR  24           HA1      B3R  24   6.821  -3.325  -4.088
  211    HC2  HMR  24           HA2      B3R  24   5.397  -2.299  -4.051
  212    HH2  HMR  24          HH22      B3R  24  11.162  -9.174  -1.602
  213    H    THR  25           HN       THR  25   5.616  -0.068  -4.154
  214    HA   THR  25           HA       THR  25   7.903   0.650  -5.770
  215    HB   THR  25           HB       THR  25   5.639   1.253  -6.528
  216    HG1  THR  25           HG1      THR  25   7.668   2.565  -6.917
  217   HG21  THR  25          HG21      THR  25   4.570   1.768  -4.402
  218   HG22  THR  25          HG22      THR  25   4.462   3.152  -5.489
  219   HG23  THR  25          HG23      THR  25   5.643   3.150  -4.179
  220    H    HIS  26           HN       HIS  26   6.603   1.502  -2.588
  221    HA   HIS  26           HA       HIS  26   8.569   3.633  -2.278
  222    HB2  HIS  26           HB2      HIS  26   6.742   2.494  -0.158
  223    HB3  HIS  26           HB1      HIS  26   7.634   4.004  -0.081
  224    HD1  HIS  26           HD1      HIS  26   6.746   5.780  -2.175
  225    HD2  HIS  26           HD2      HIS  26   4.205   2.839  -0.674
  226    HE1  HIS  26           HE1      HIS  26   4.357   6.566  -2.633
  227    HG   B3T  27           HG       B3T  27   9.522  -1.455   1.719
  228   HOD1  B3T  27           HD1      B3T  27   7.247  -1.203   0.011
  229   H1D2  B3T  27          HD21      B3T  27   8.908   0.754   2.545
  230   H2D2  B3T  27          HD22      B3T  27   7.590  -0.384   2.822
  231   H3D2  B3T  27          HD23      B3T  27   7.494   0.772   1.495
  232    HA   B3T  27           HA       B3T  27  10.378   0.446   0.495
  233    H    B3T  27           H        B3T  27   7.822   0.475  -0.923
  234    HB1  B3T  27           HA1      B3T  27  10.198  -0.756  -1.930
  235    HB2  B3T  27           HA2      B3T  27   9.693  -2.074  -0.880
  236    H    GLY  28           HN       GLY  28  12.311  -0.462  -2.217
  237    HA2  GLY  28           HA2      GLY  28  14.205  -2.167  -0.962
  238    HA3  GLY  28           HA1      GLY  28  14.576  -0.812  -2.015
  239    H    GLU  29           HN       GLU  29  13.049   1.034  -0.298
  240    HA   GLU  29           HA       GLU  29  15.070   1.335   1.813
  241    HB2  GLU  29           HB2      GLU  29  14.920   3.147   0.091
  242    HB3  GLU  29           HB1      GLU  29  13.277   3.464   0.627
  243    HG2  GLU  29           HG2      GLU  29  14.935   5.028   1.555
  244    HG3  GLU  29           HG1      GLU  29  14.045   4.135   2.788
  245    H    LYS  30           HN       LYS  30  13.908  -0.130   3.187
  246    HA   LYS  30           HA       LYS  30  11.683   1.207   4.551
  247    HB2  LYS  30           HB2      LYS  30  10.755  -0.557   3.068
  248    HB3  LYS  30           HB1      LYS  30  11.740  -1.750   3.904
  249    HG2  LYS  30           HG2      LYS  30  10.565  -1.219   5.996
  250    HG3  LYS  30           HG1      LYS  30   9.543  -0.084   5.112
  251    HD2  LYS  30           HD2      LYS  30   8.709  -1.910   3.720
  252    HD3  LYS  30           HD1      LYS  30   9.746  -3.051   4.585
  253    HE2  LYS  30           HE2      LYS  30   7.545  -1.398   5.820
  254    HE3  LYS  30           HE1      LYS  30   7.423  -3.105   5.393
  255    HZ1  LYS  30           HZ1      LYS  30   9.365  -1.987   7.337
  256    HZ2  LYS  30           HZ2      LYS  30   9.124  -3.622   6.986
  257    HZ3  LYS  30           HZ3      LYS  30   7.909  -2.734   7.755
  258    HN1  NH2  31           HN1      NH2  31  13.390   1.818   5.972
  259    HN2  NH2  31           HN2      NH2  31  13.986   0.709   7.155
  Start of MODEL   10
    1    H2   PRO   1           HT1      PRO   1 -11.590  -0.232   4.550
    2    H3   PRO   1           HT2      PRO   1 -12.503  -0.884   3.363
    3    HA   PRO   1           HA       PRO   1 -10.730  -1.032   2.253
    4    HB2  PRO   1           HB2      PRO   1 -10.149   1.728   1.710
    5    HB3  PRO   1           HB1      PRO   1 -10.956   0.550   0.664
    6    HG2  PRO   1           HG2      PRO   1 -12.226   2.697   1.816
    7    HG3  PRO   1           HG1      PRO   1 -13.034   1.203   1.316
    8    HD2  PRO   1           HD2      PRO   1 -12.120   2.034   4.054
    9    HD3  PRO   1           HD1      PRO   1 -13.637   1.254   3.567
   10    H    PHE   2           HN       PHE   2  -8.403  -0.074   1.870
   11    HA   PHE   2           HA       PHE   2  -7.238   0.585   4.498
   12    HB2  PHE   2           HB2      PHE   2  -5.964  -1.079   2.309
   13    HB3  PHE   2           HB1      PHE   2  -5.288  -0.738   3.897
   14    HD1  PHE   2           HD1      PHE   2  -7.548  -2.812   1.990
   15    HD2  PHE   2           HD2      PHE   2  -6.279  -1.766   5.913
   16    HE1  PHE   2           HE1      PHE   2  -8.610  -4.850   2.875
   17    HE2  PHE   2           HE2      PHE   2  -7.337  -3.798   6.801
   18    HZ   PHE   2           HZ       PHE   2  -8.464  -5.364   5.281
   19    HE3  9KK   3           HE3      MEB   3  -5.533   9.383   3.856
   20    HE2  9KK   3           HE2      MEB   3  -4.028   8.578   3.410
   21    HE1  9KK   3           HE1      MEB   3  -5.369   8.640   2.264
   22    HD2  9KK   3           HD1      MEB   3  -5.363   7.180   4.905
   23    HD3  9KK   3           HD2      MEB   3  -6.714   7.251   3.763
   24    HG2  9KK   3           HG1      MEB   3  -5.348   6.148   2.061
   25    HG3  9KK   3           HG2      MEB   3  -3.979   6.107   3.175
   26    HB2  9KK   3           HB1      MEB   3  -5.252   4.691   4.693
   27    HB3  9KK   3           HB2      MEB   3  -6.627   4.737   3.600
   28    HA   9KK   3           HA       MEB   3  -5.245   3.605   1.866
   29    HM1  9KK   3           HM1      MEB   3  -4.840   2.784   5.406
   30    HM3  9KK   3           HM3      MEB   3  -6.583   2.543   5.429
   31    HM2  9KK   3           HM2      MEB   3  -5.503   1.162   5.227
   32    H    CYS   4           HN       CYS   4  -3.259   4.058   1.174
   33    HA   CYS   4           HA       CYS   4  -1.020   2.736   2.209
   34    HB2  CYS   4           HB2      CYS   4  -1.051   3.301  -0.108
   35    HB3  CYS   4           HB1      CYS   4  -1.239   5.014   0.248
   36    H    THR   5           HN       THR   5  -2.218   5.959   2.736
   37    HA   THR   5           HA       THR   5  -1.710   7.638   4.133
   38    HB   THR   5           HB       THR   5  -0.825   7.050   6.392
   39    HG1  THR   5           HG1      THR   5  -0.046   4.809   5.106
   40   HG21  THR   5          HG21      THR   5  -2.764   5.703   7.052
   41   HG22  THR   5          HG22      THR   5  -3.077   5.328   5.358
   42   HG23  THR   5          HG23      THR   5  -3.214   6.989   5.934
   43    H    TRP   6           HN       TRP   6   0.531   6.571   2.247
   44    HA   TRP   6           HA       TRP   6   2.920   7.521   3.533
   45    HB2  TRP   6           HB2      TRP   6   2.833   5.724   1.742
   46    HB3  TRP   6           HB1      TRP   6   2.496   7.006   0.590
   47    HD1  TRP   6           HD1      TRP   6   4.499   8.845   0.227
   48    HE1  TRP   6           HE1      TRP   6   7.047   8.540   0.378
   49    HE3  TRP   6           HE3      TRP   6   4.636   4.500   2.905
   50    HZ2  TRP   6           HZ2      TRP   6   8.874   6.702   1.487
   51    HZ3  TRP   6           HZ3      TRP   6   6.825   3.534   3.470
   52    HH2  TRP   6           HH2      TRP   6   8.893   4.612   2.775
   53    H    AIB   7           HN       AIB   7   3.870   9.475   3.303
   54   HB11  AIB   7          HB11      AIB   7   4.417  11.707   4.200
   55   HB12  AIB   7          HB12      AIB   7   4.433  12.978   2.978
   56   HB13  AIB   7          HB13      AIB   7   5.302  11.470   2.693
   57   HB21  AIB   7          HB21      AIB   7   1.988  13.023   2.986
   58   HB22  AIB   7          HB22      AIB   7   2.024  11.782   4.238
   59   HB23  AIB   7          HB23      AIB   7   1.075  11.527   2.775
   60    H    GLY   8           HN       GLY   8   1.354  12.362   1.080
   61    HA2  GLY   8           HA2      GLY   8   1.493  13.517  -0.959
   62    HA3  GLY   8           HA1      GLY   8   3.089  12.825  -1.218
   63    H    CYS   9           HN       CYS   9   1.283  10.298  -0.259
   64    HA   CYS   9           HA       CYS   9   0.975   9.427  -3.022
   65    HB2  CYS   9           HB2      CYS   9   2.205   8.026  -1.357
   66    HB3  CYS   9           HB1      CYS   9   0.693   7.811  -0.483
   67    H    GLY  10           HN       GLY  10  -0.986   8.665  -0.137
   68    HA2  GLY  10           HA2      GLY  10  -3.251   8.763   0.214
   69    HA3  GLY  10           HA1      GLY  10  -3.318   9.966  -1.060
   70    H    LYS  11           HN       LYS  11  -2.696   6.459  -0.832
   71    HA   LYS  11           HA       LYS  11  -4.622   6.082  -3.026
   72    HB2  LYS  11           HB2      LYS  11  -2.241   4.373  -2.269
   73    HB3  LYS  11           HB1      LYS  11  -3.408   3.963  -3.515
   74    HG2  LYS  11           HG2      LYS  11  -1.585   6.360  -3.543
   75    HG3  LYS  11           HG1      LYS  11  -1.342   4.863  -4.446
   76    HD2  LYS  11           HD2      LYS  11  -3.586   5.304  -5.528
   77    HD3  LYS  11           HD1      LYS  11  -3.524   6.909  -4.796
   78    HE2  LYS  11           HE2      LYS  11  -1.323   7.249  -5.934
   79    HE3  LYS  11           HE1      LYS  11  -1.591   5.727  -6.780
   80    HZ1  LYS  11           HZ1      LYS  11  -2.279   7.510  -8.174
   81    HZ2  LYS  11           HZ2      LYS  11  -3.245   8.180  -6.961
   82    HZ3  LYS  11           HZ3      LYS  11  -3.670   6.699  -7.659
   83    HA   MMO  12           HA       MER  12  -6.268   3.050  -0.134
   84   HCB1  MMO  12           HB1      MER  12  -8.756   3.182  -0.376
   85   HCB2  MMO  12           HB2      MER  12  -8.524   4.196  -1.791
   86   HCG1  MMO  12           HG1      MER  12  -7.574   5.939  -0.494
   87   HCG2  MMO  12           HG2      MER  12  -7.450   4.897   0.927
   88   HCD1  MMO  12           HD1      MER  12  -9.339   6.445   1.105
   89   HCD2  MMO  12           HD2      MER  12  -9.867   4.764   1.070
   90   HH21  MMO  12          HH11      MER  12 -11.715   5.398   1.393
   91   HH22  MMO  12          HH12      MER  12 -13.249   5.610   0.615
   92   HH11  MMO  12          HH21      MER  12 -13.346   6.133  -1.625
   93    HC1  MMO  12           HM1      MER  12  -5.655   4.575  -3.915
   94    HC2  MMO  12           HM2      MER  12  -6.760   5.702  -3.127
   95    HC3  MMO  12           HM3      MER  12  -7.285   4.058  -3.489
   96    HE   MMO  12           HE       MER  12  -9.866   6.061  -1.505
   97   HH12  MMO  12          HH22      MER  12 -11.883   6.325  -2.539
   98    H    PHE  13           HN       PHE  13  -6.893   0.956  -0.058
   99    HA   PHE  13           HA       PHE  13  -7.231  -0.468  -2.607
  100    HB2  PHE  13           HB2      PHE  13  -5.322  -1.229  -0.381
  101    HB3  PHE  13           HB1      PHE  13  -5.594  -2.143  -1.865
  102    HD1  PHE  13           HD1      PHE  13  -4.847  -1.255  -4.012
  103    HD2  PHE  13           HD2      PHE  13  -3.958   0.716  -0.351
  104    HE1  PHE  13           HE1      PHE  13  -3.132   0.086  -5.154
  105    HE2  PHE  13           HE2      PHE  13  -2.242   2.060  -1.485
  106    HZ   PHE  13           HZ       PHE  13  -1.830   1.747  -3.893
  107    H    THR  14           HN       THR  14  -8.280  -2.520  -2.420
  108    HA   THR  14           HA       THR  14 -10.030  -2.617  -0.087
  109    HB   THR  14           HB       THR  14 -11.048  -2.676  -2.353
  110    HG1  THR  14           HG1      THR  14 -11.893  -5.113  -1.631
  111   HG21  THR  14          HG21      THR  14  -9.294  -3.987  -3.483
  112   HG22  THR  14          HG22      THR  14 -10.896  -4.688  -3.713
  113   HG23  THR  14          HG23      THR  14  -9.778  -5.406  -2.557
  114    H    ARG  15           HN       ARG  15  -7.144  -3.907  -0.932
  115    HA   ARG  15           HA       ARG  15  -7.517  -6.138   0.929
  116    HB2  ARG  15           HB2      ARG  15  -6.113  -6.259  -1.743
  117    HB3  ARG  15           HB1      ARG  15  -5.916  -7.475  -0.490
  118    HG2  ARG  15           HG2      ARG  15  -8.178  -8.142  -0.653
  119    HG3  ARG  15           HG1      ARG  15  -8.584  -6.750  -1.657
  120    HD2  ARG  15           HD2      ARG  15  -7.126  -7.613  -3.429
  121    HD3  ARG  15           HD1      ARG  15  -6.739  -9.007  -2.426
  122    HE   ARG  15           HE       ARG  15  -9.027  -9.722  -2.643
  123   HH11  ARG  15          HH11      ARG  15  -8.093  -7.085  -4.757
  124   HH12  ARG  15          HH12      ARG  15  -9.298  -7.464  -5.954
  125   HH21  ARG  15          HH21      ARG  15 -10.632 -10.191  -4.206
  126   HH22  ARG  15          HH22      ARG  15 -10.738  -9.218  -5.638
  127    H    SER  16           HN       SER  16  -5.996  -6.259   2.433
  128    HA   SER  16           HA       SER  16  -4.097  -4.157   2.672
  129    HB2  SER  16           HB2      SER  16  -5.250  -5.252   4.612
  130    HB3  SER  16           HB1      SER  16  -4.277  -6.692   4.319
  131    HG   SER  16           HG       SER  16  -2.988  -5.691   5.678
  132    HG3  B3D  17           HG2      B3D  17  -2.701  -9.685   1.541
  133    HG2  B3D  17           HG1      B3D  17  -1.000  -9.646   1.100
  134    HA   B3D  17           HA       B3D  17  -1.107  -7.069   1.104
  135    H    B3D  17           HN       B3D  17  -3.960  -7.507   1.650
  136    HB1  B3D  17           HB1      B3D  17  -1.710  -8.846  -0.825
  137    HB2  B3D  17           HB2      B3D  17  -3.320  -8.171  -0.629
  138    H    GLU  18           HN       GLU  18  -3.820  -6.370  -1.600
  139    HA   GLU  18           HA       GLU  18  -2.199  -5.291  -3.610
  140    HB2  GLU  18           HB2      GLU  18  -4.685  -4.220  -2.283
  141    HB3  GLU  18           HB1      GLU  18  -3.949  -3.496  -3.705
  142    HG2  GLU  18           HG2      GLU  18  -4.374  -5.479  -4.992
  143    HG3  GLU  18           HG1      GLU  18  -4.969  -6.320  -3.563
  144    H    LEU  19           HN       LEU  19  -3.000  -4.082  -0.372
  145    HA   LEU  19           HA       LEU  19  -1.727  -1.593  -0.639
  146    HB2  LEU  19           HB2      LEU  19  -3.315  -1.979   1.123
  147    HB3  LEU  19           HB1      LEU  19  -2.326  -3.260   1.797
  148    HG   LEU  19           HG       LEU  19  -0.593  -1.600   2.375
  149   HD11  LEU  19          HD11      LEU  19  -2.625   0.427   1.451
  150   HD12  LEU  19          HD12      LEU  19  -1.093   0.066   0.657
  151   HD13  LEU  19          HD13      LEU  19  -1.104   0.774   2.269
  152   HD21  LEU  19          HD21      LEU  19  -1.806  -0.568   4.223
  153   HD22  LEU  19          HD22      LEU  19  -2.269  -2.257   4.018
  154   HD23  LEU  19          HD23      LEU  19  -3.335  -0.975   3.449
  155    H    GLN  20           HN       GLN  20  -0.561  -4.607   0.851
  156    HA   GLN  20           HA       GLN  20   2.016  -3.614   1.446
  157    HB2  GLN  20           HB2      GLN  20   1.011  -5.595   2.533
  158    HB3  GLN  20           HB1      GLN  20   1.159  -6.479   1.026
  159    HG2  GLN  20           HG2      GLN  20   2.937  -7.076   2.549
  160    HG3  GLN  20           HG1      GLN  20   3.579  -6.268   1.122
  161   HE21  GLN  20          HE21      GLN  20   1.997  -4.542   3.721
  162   HE22  GLN  20          HE22      GLN  20   3.421  -3.759   4.316
  163    H    HMR  21           HN       B3R  21   1.068  -5.960  -1.091
  164    HB   HMR  21           HB       B3R  21   3.499  -5.134  -2.516
  165    HB2  HMR  21           HG1      B3R  21   2.984  -7.254  -3.894
  166    HB3  HMR  21           HG2      B3R  21   1.616  -7.553  -2.836
  167    HG2  HMR  21           HD1      B3R  21   3.105  -7.828  -0.943
  168    HG3  HMR  21           HD2      B3R  21   4.496  -7.463  -1.965
  169    HD2  HMR  21           HE1      B3R  21   3.842  -9.432  -3.386
  170    HD3  HMR  21           HE2      B3R  21   2.651  -9.842  -2.152
  171    HE   HMR  21           HF       B3R  21   5.141  -9.550  -0.907
  172    HH1  HMR  21          HH11      B3R  21   3.536 -11.699  -3.159
  173   HH21  HMR  21          HH21      B3R  21   6.123 -12.884  -1.109
  174   HH22  HMR  21          HH22      B3R  21   6.415 -11.354  -0.346
  175    HC1  HMR  21           HA1      B3R  21   1.786  -5.619  -4.597
  176    HC2  HMR  21           HA2      B3R  21   0.653  -4.962  -3.420
  177    HH2  HMR  21          HH12      B3R  21   4.485 -13.080  -2.710
  178    H    HIS  22           HN       HIS  22   0.748  -2.896  -2.829
  179    HA   HIS  22           HA       HIS  22   1.895  -1.131  -4.785
  180    HB2  HIS  22           HB2      HIS  22  -0.328  -0.629  -4.157
  181    HB3  HIS  22           HB1      HIS  22   0.046  -0.746  -2.442
  182    HD1  HIS  22           HD1      HIS  22   0.358   1.614  -5.381
  183    HD2  HIS  22           HD2      HIS  22   1.125   1.505  -1.282
  184    HE1  HIS  22           HE1      HIS  22   0.973   3.988  -4.687
  185    H    LYS  23           HN       LYS  23   2.117  -1.441  -1.227
  186    HA   LYS  23           HA       LYS  23   3.747   0.728  -0.725
  187    HB2  LYS  23           HB2      LYS  23   2.690  -0.693   1.021
  188    HB3  LYS  23           HB1      LYS  23   3.876  -1.946   0.690
  189    HG2  LYS  23           HG2      LYS  23   4.621  -0.820   2.621
  190    HG3  LYS  23           HG1      LYS  23   5.653  -0.268   1.301
  191    HD2  LYS  23           HD2      LYS  23   5.052   1.629   2.646
  192    HD3  LYS  23           HD1      LYS  23   4.216   1.751   1.099
  193    HE2  LYS  23           HE2      LYS  23   2.159   0.972   2.090
  194    HE3  LYS  23           HE1      LYS  23   2.976   0.642   3.616
  195    HZ1  LYS  23           HZ1      LYS  23   3.396   3.007   3.868
  196    HZ2  LYS  23           HZ2      LYS  23   1.740   2.713   3.704
  197    HZ3  LYS  23           HZ3      LYS  23   2.618   3.329   2.400
  198    H    HMR  24           HN       B3R  24   4.678  -2.568  -1.584
  199    HB   HMR  24           HB       B3R  24   7.421  -1.610  -1.938
  200    HB2  HMR  24           HG1      B3R  24   6.154  -4.417  -2.023
  201    HB3  HMR  24           HG2      B3R  24   7.039  -3.740  -0.667
  202    HG2  HMR  24           HD1      B3R  24   9.054  -3.645  -2.165
  203    HG3  HMR  24           HD2      B3R  24   8.125  -4.590  -3.328
  204    HD2  HMR  24           HE1      B3R  24   7.809  -6.338  -1.632
  205    HD3  HMR  24           HE2      B3R  24   8.790  -5.402  -0.506
  206    HE   HMR  24           HF       B3R  24   9.966  -6.199  -3.066
  207    HH1  HMR  24          HH21      B3R  24  11.949  -7.307  -2.928
  208   HH21  HMR  24          HH11      B3R  24   9.785  -6.598   0.412
  209   HH22  HMR  24          HH12      B3R  24  11.282  -7.465   0.518
  210    HC1  HMR  24           HA1      B3R  24   7.076  -3.271  -4.133
  211    HC2  HMR  24           HA2      B3R  24   5.516  -2.473  -4.053
  212    HH2  HMR  24          HH22      B3R  24  12.516  -7.870  -1.388
  213    H    THR  25           HN       THR  25   5.490  -0.151  -4.037
  214    HA   THR  25           HA       THR  25   7.289   0.840  -6.060
  215    HB   THR  25           HB       THR  25   5.839   2.855  -6.032
  216    HG1  THR  25           HG1      THR  25   4.131   1.446  -4.251
  217   HG21  THR  25          HG21      THR  25   5.283   1.000  -7.514
  218   HG22  THR  25          HG22      THR  25   3.816   1.765  -6.902
  219   HG23  THR  25          HG23      THR  25   4.360   0.230  -6.224
  220    H    HIS  26           HN       HIS  26   6.382   1.768  -2.741
  221    HA   HIS  26           HA       HIS  26   8.339   3.889  -2.687
  222    HB2  HIS  26           HB2      HIS  26   6.838   2.675  -0.356
  223    HB3  HIS  26           HB1      HIS  26   7.679   4.217  -0.369
  224    HD1  HIS  26           HD1      HIS  26   6.488   6.129  -1.985
  225    HD2  HIS  26           HD2      HIS  26   4.236   2.779  -0.938
  226    HE1  HIS  26           HE1      HIS  26   4.034   6.766  -2.306
  227    HG   B3T  27           HG       B3T  27  10.192  -1.188   0.909
  228   HOD1  B3T  27           HD1      B3T  27   7.606  -0.442  -0.019
  229   H1D2  B3T  27          HD21      B3T  27   9.121   0.307   2.548
  230   H2D2  B3T  27          HD22      B3T  27   8.787   1.461   1.257
  231   H3D2  B3T  27          HD23      B3T  27  10.452   1.099   1.705
  232    HA   B3T  27           HA       B3T  27  10.827   0.641  -0.680
  233    H    B3T  27           H        B3T  27   8.006   0.611  -1.535
  234    HB1  B3T  27           HA1      B3T  27   9.793  -0.846  -2.728
  235    HB2  B3T  27           HA2      B3T  27   9.653  -1.966  -1.377
  236    H    GLY  28           HN       GLY  28  11.227  -2.975  -3.091
  237    HA2  GLY  28           HA2      GLY  28  13.357  -3.623  -3.648
  238    HA3  GLY  28           HA1      GLY  28  13.867  -1.986  -3.273
  239    H    GLU  29           HN       GLU  29  12.434  -4.451  -1.173
  240    HA   GLU  29           HA       GLU  29  13.111  -5.392   0.779
  241    HB2  GLU  29           HB2      GLU  29  14.851  -6.315  -0.829
  242    HB3  GLU  29           HB1      GLU  29  15.934  -5.067  -0.239
  243    HG2  GLU  29           HG2      GLU  29  15.658  -5.980   2.046
  244    HG3  GLU  29           HG1      GLU  29  14.705  -7.293   1.361
  245    H    LYS  30           HN       LYS  30  12.451  -2.907   1.179
  246    HA   LYS  30           HA       LYS  30  14.573  -1.794   2.890
  247    HB2  LYS  30           HB2      LYS  30  14.048  -0.372   0.907
  248    HB3  LYS  30           HB1      LYS  30  12.391  -0.246   1.476
  249    HG2  LYS  30           HG2      LYS  30  13.183   0.858   3.515
  250    HG3  LYS  30           HG1      LYS  30  14.839   0.745   2.916
  251    HD2  LYS  30           HD2      LYS  30  14.232   2.106   0.978
  252    HD3  LYS  30           HD1      LYS  30  12.578   2.233   1.583
  253    HE2  LYS  30           HE2      LYS  30  13.448   3.331   3.618
  254    HE3  LYS  30           HE1      LYS  30  15.071   3.259   2.934
  255    HZ1  LYS  30           HZ1      LYS  30  14.065   5.415   2.582
  256    HZ2  LYS  30           HZ2      LYS  30  12.764   4.713   1.765
  257    HZ3  LYS  30           HZ3      LYS  30  14.317   4.640   1.101
  258    HN1  NH2  31           HN1      NH2  31  13.896  -2.879   4.689
  259    HN2  NH2  31           HN2      NH2  31  12.392  -2.571   5.484