*HEADER    MEMBRANE PROTEIN                        06-NOV-17   6BJF              
*TITLE     NMR STRUCTURAL AND BIOPHYSICAL FUNCTIONAL ANALYSIS OF INTRACELLULAR   
*TITLE    2 LOOP 5 OF THE NHE1 ISOFORM OF THE NA+/H+ EXCHANGER.                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-LEU-THR-TRP-PHE-ILE-ASN-LYS-PHE-ARG-ILE-VAL-LYS;       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: SYNTHETIC PEPTIDE                                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    STRUCTURE FROM CYANA 2.1, MEMBRANE PROTEIN                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    R.MCKAY,K.WONG,K.TOWLE,L.FLIEGEL                                      
*REVDAT   1   14-NOV-18 6BJF    0                                                
# Restraints file 1: cycle7.noa
 
    Peak 0 from carmennoesy2.xpk (7.45, 9.90 ppm; 3.13 A):
    1 out of 2 assignments used, quality = 0.99:
      HZ2   TRP    4 + HE1   TRP    4  OK    99    99 100 100  2.8-2.8   2.8=100
      HE3   TRP    4 - HE1   TRP    4  far    0    79   0   -  5.3-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1 from carmennoesy2.xpk (7.27, 9.90 ppm; 2.66 A):
    1 out of 3 assignments used, quality = 1.00:
      HD1   TRP    4 + HE1   TRP    4  OK   100   100 100 100  2.6-2.6   2.6=100
      HD2   PHE    5 - HE1   TRP    4  far    0    43   0   -  8.4-10.3
      HD1   PHE    5 - HE1   TRP    4  far    0    48   0   -  9.8-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2 from carmennoesy2.xpk (4.57, 9.90 ppm; 3.15 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3 from carmennoesy2.xpk (4.16, 9.90 ppm; 4.92 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 4 from carmennoesy2.xpk (3.44, 9.91 ppm; 5.50 A increased from 5.24 A):
    1 out of 1 assignment used, quality = 0.92:
      HB2   TRP    4 + HE1   TRP    4  OK    92    92 100 100  5.1-5.3   5.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 5 from carmennoesy2.xpk (3.31, 9.90 ppm; 5.01 A):
    1 out of 1 assignment used, quality = 1.00:
      HB3   TRP    4 + HE1   TRP    4  OK   100   100 100 100  4.8-4.9   241/2.6=99, 5.3=85, 120/7.5=30
    Violated in 0 structures by 0.00 A.
 
    Peak 6 from carmennoesy2.xpk (2.45, 9.90 ppm; 4.36 A):
    1 out of 1 assignment used, quality = 0.89:
      HE2   LYS    8 + HE1   TRP    4  OK    89    91 100  98  2.3-4.3   1.8/7=69, 240/2.6=66...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 7 from carmennoesy2.xpk (2.67, 9.91 ppm; 4.71 A):
    1 out of 1 assignment used, quality = 0.93:
      HE3   LYS    8 + HE1   TRP    4  OK    93    93 100 100  3.3-4.7   1.8/6=87, 239/2.6=55...(9)
    Violated in 4 structures by 0.00 A.
 
    Peak 8 from carmennoesy2.xpk (1.22, 9.90 ppm; 5.00 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 9 from carmennoesy2.xpk (7.05, 9.90 ppm; 5.02 A increased from 4.46 A):
    1 out of 1 assignment used, quality = 0.98:
      HH2   TRP    4 + HE1   TRP    4  OK    98    98 100 100  5.0-5.0   5.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 10 from carmennoesy2.xpk (8.40, 8.13 ppm; 3.59 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 11 from carmennoesy2.xpk (8.13, 8.40 ppm; 3.71 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 12 from carmennoesy2.xpk (8.06, 8.40 ppm; 3.09 A):
    1 out of 1 assignment used, quality = 0.98:
      H     THR    3 + H     LEU    2  OK    98    98 100 100  2.1-2.6   16=99, 143/146=46...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 13 from carmennoesy2.xpk (8.04, 8.37 ppm; 3.29 A):
    1 out of 3 assignments used, quality = 0.99:
      H     PHE    5 + H     ILE    6  OK    99   100 100  99  2.9-3.1   17=98, 122/130=43...(8)
      H     THR    3 - H     ILE    6  far    0    39   0   -  5.3-5.7
      H     ARG   10 - H     ILE    6  far    0    76   0   -  5.8-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 14 from carmennoesy2.xpk (7.97, 8.37 ppm; 3.17 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ASN    7 + H     ILE    6  OK   100   100 100 100  2.5-2.8   18=100, 140/145=45...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 15 from carmennoesy2.xpk (7.98, 8.19 ppm; 4.16 A):
    1 out of 1 assignment used, quality = 0.92:
      H     ASN    7 + H     PHE    9  OK    92    93 100 100  4.0-4.2   222=76, 28/24=74...(7)
    Violated in 3 structures by 0.00 A.
 
    Peak 16 from carmennoesy2.xpk (8.40, 8.06 ppm; 3.10 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU    2 + H     THR    3  OK   100   100 100 100  2.1-2.6   12=100, 146/143=47...(11)
      H     LEU    2 - H     PHE    5  far    0    41   0   -  4.8-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 17 from carmennoesy2.xpk (8.37, 8.04 ppm; 3.31 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ILE    6 + H     PHE    5  OK   100   100 100 100  2.9-3.1   13=100, 130/122=43...(8)
      H     ILE    6 - H     ARG   10  far    0    81   0   -  5.8-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 18 from carmennoesy2.xpk (8.37, 7.97 ppm; 3.15 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ILE    6 + H     ASN    7  OK    99   100 100 100  2.5-2.8   14=98, 145/140=44...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 19 from carmennoesy2.xpk (8.19, 8.03 ppm; 3.33 A):
    1 out of 2 assignments used, quality = 0.99:
      H     PHE    9 + H     ARG   10  OK    99    99 100 100  2.8-2.9   23=100, 127/123=44...(10)
      H     PHE    9 - H     PHE    5  far    0    73   0   -  5.8-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 20 from carmennoesy2.xpk (7.90, 8.06 ppm; 3.12 A):
    1 out of 1 assignment used, quality = 0.85:
      H     TRP    4 + H     THR    3  OK    85    98 100  87  2.5-2.7   22=54, 81/80=31...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 21 from carmennoesy2.xpk (7.90, 8.04 ppm; 3.23 A):
    1 out of 2 assignments used, quality = 0.83:
      H     TRP    4 + H     PHE    5  OK    83   100 100  83  2.5-2.8   119/118=42, 22=36...(6)
      H     TRP    4 - H     ARG   10  far    0    82   0   -  9.4-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 22 from carmennoesy2.xpk (8.05, 7.90 ppm; 3.08 A):
    2 out of 2 assignments used, quality = 0.94:
      H     THR    3 + H     TRP    4  OK    83    85 100  97  2.5-2.7   20=91, 80/81=29...(9)
      H     PHE    5 + H     TRP    4  OK    62    69 100  90  2.5-2.8   21=72, 118/119=32...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 23 from carmennoesy2.xpk (8.03, 8.19 ppm; 3.22 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ARG   10 + H     PHE    9  OK    98    99 100  99  2.8-2.9   19=90, 123/127=41...(10)
      H     PHE    5 - H     PHE    9  far    0    83   0   -  5.8-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 24 from carmennoesy2.xpk (7.63, 8.19 ppm; 3.17 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LYS    8 + H     PHE    9  OK   100   100 100 100  2.2-2.3   33=90, 195/151=46...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 25 from carmennoesy2.xpk (7.56, 8.03 ppm; 3.39 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ILE   11 + H     ARG   10  OK    98   100 100  98  2.4-2.9   34=85, 31/27=34...(7)
      H     ILE   11 - H     PHE    5  far    0    80   0   -  9.4-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 26 from carmennoesy2.xpk (7.63, 8.03 ppm; 4.21 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LYS    8 + H     ARG   10  OK    99    99 100  99  3.8-4.2   219=79, 24/23=76...(6)
      H     LYS    8 - H     PHE    5  far    0    83   0   -  4.7-4.9
    Violated in 3 structures by 0.00 A.
 
    Peak 27 from carmennoesy2.xpk (7.70, 8.03 ppm; 4.35 A):
    1 out of 1 assignment used, quality = 0.92:
      H     VAL   12 + H     ARG   10  OK    92    96 100  97  3.9-4.3   31/25=72, 218=57...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 28 from carmennoesy2.xpk (7.63, 7.98 ppm; 3.17 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LYS    8 + H     ASN    7  OK    99   100 100  99  2.7-2.8   32=85, 136/131=38...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 29 from carmennoesy2.xpk (7.04, 7.83 ppm; 5.40 A increased from 5.08 A):
    1 out of 2 assignments used, quality = 0.83:
      HE    ARG   10 + H     LYS   13  OK    83    92 100  91  4.8-5.4   268/4.0=71, 271/160=64
      HE1   PHE    9 - H     LYS   13  far    0    97   0   -  8.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 30 from carmennoesy2.xpk (7.83, 7.70 ppm; 3.47 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LYS   13 + H     VAL   12  OK    99    99 100 100  2.4-2.8   43=100, 159/210=42...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 31 from carmennoesy2.xpk (7.56, 7.70 ppm; 3.41 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ILE   11 + H     VAL   12  OK    99   100 100 100  2.5-2.9   35=95, 206/209=46...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 32 from carmennoesy2.xpk (7.98, 7.63 ppm; 3.34 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ASN    7 + H     LYS    8  OK   100   100 100 100  2.7-2.8   28=100, 131/136=43...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 33 from carmennoesy2.xpk (8.19, 7.63 ppm; 3.28 A):
    1 out of 1 assignment used, quality = 1.00:
      H     PHE    9 + H     LYS    8  OK   100   100 100 100  2.2-2.3   24=100, 151/195=50...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 34 from carmennoesy2.xpk (8.03, 7.56 ppm; 3.59 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   10 + H     ILE   11  OK   100   100 100 100  2.4-2.9   25=100, 27/31=39...(7)
      H     PHE    5 - H     ILE   11  far    0    76   0   -  9.4-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 35 from carmennoesy2.xpk (7.70, 7.56 ppm; 3.47 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL   12 + H     ILE   11  OK   100   100 100 100  2.5-2.9   31=100, 209/206=48...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 36 from carmennoesy2.xpk (7.27, 7.90 ppm; 4.38 A increased from 4.13 A):
    1 out of 3 assignments used, quality = 0.97:
      HD1   TRP    4 + H     TRP    4  OK    97    97 100 100  4.0-4.4   62=95, 241/120=85...(4)
      HD2   PHE    5 - H     TRP    4  far    5    54  10   -  4.4-5.5
      HD1   PHE    5 - H     TRP    4  far    0    58   0   -  7.3-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 37 from carmennoesy2.xpk (7.28, 8.04 ppm; 3.89 A):
    1 out of 9 assignments used, quality = 0.92:
      HD2   PHE    5 + H     PHE    5  OK    92    97 100  96  2.5-3.5   3.7/122=57, 3.7/121=54...(7)
      HD1   PHE    5 - H     PHE    5  far    0    98   0   -  4.6-5.2
      HD2   PHE    5 - H     THR    3  far    0    36   0   -  5.1-5.8
      HD1   TRP    4 - H     PHE    5  far    0    56   0   -  5.7-5.9
      HD1   TRP    4 - H     THR    3  far    0    21   0   -  6.1-6.8
      HD1   PHE    5 - H     ARG   10  far    0    76   0   -  7.5-8.4
      HD1   PHE    5 - H     THR    3  far    0    37   0   -  8.4-8.9
      HD2   PHE    5 - H     ARG   10  far    0    75   0   -  9.7-10.3
      HD1   TRP    4 - H     ARG   10  far    0    43   0   -  9.8-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 38 from carmennoesy2.xpk (7.00, 7.83 ppm; 4.17 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 39 from carmennoesy2.xpk (6.87, 7.84 ppm; 4.51 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 40 from carmennoesy2.xpk (7.05, 8.04 ppm; 3.50 A):
    1 out of 6 assignments used, quality = 0.42:
      HE    ARG   10 + H     ARG   10  OK    42    43 100  99  2.3-2.9   49=66, 290/123=42...(10)
      HE1   PHE    9 - H     PHE    5  far    0    84   0   -  6.3-6.7
      HE1   PHE    9 - H     ARG   10  far    0    74   0   -  7.3-7.6
      HH2   TRP    4 - H     PHE    5  far    0    96   0   -  8.0-8.9
      HE    ARG   10 - H     PHE    5  far    0    48   0   -  8.7-9.6
      HH2   TRP    4 - H     ARG   10  far    0    85   0   -  9.0-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 41 from carmennoesy2.xpk (7.04, 8.19 ppm; 4.89 A increased from 4.12 A):
    1 out of 3 assignments used, quality = 0.88:
      HE    ARG   10 + H     PHE    9  OK    88    88 100 100  4.2-4.6   52=100, 264/133=87...(7)
      HE1   PHE    9 - H     PHE    9  far    0    99   0   -  5.0-5.6
      HH2   TRP    4 - H     PHE    9  far    0    88   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 42 from carmennoesy2.xpk (7.56, 7.84 ppm; 4.60 A):
    1 out of 1 assignment used, quality = 0.93:
      H     ILE   11 + H     LYS   13  OK    93    98 100  95  4.0-4.6   31/43=77, 224=58...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 43 from carmennoesy2.xpk (7.70, 7.83 ppm; 3.45 A):
    1 out of 1 assignment used, quality = 0.99:
      H     VAL   12 + H     LYS   13  OK    99   100 100 100  2.4-2.8   30=98, 210/159=41...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 44 from carmennoesy2.xpk (6.81, 7.46 ppm; 2.55 A):
    1 out of 3 assignments used, quality = 0.99:
      HZ3   TRP    4 + HE3   TRP    4  OK    99    99 100 100  2.5-2.5   2.5=100
      HH21  ARG   10 - HH12  ARG   10  far    0    82   0   -  3.5-3.5
      HZ3   TRP    4 - HZ2   TRP    4  far    0    78   0   -  4.3-4.3
    Violated in 0 structures by 0.00 A.
 
    Peak 45 from carmennoesy2.xpk (7.04, 7.45 ppm; 3.16 A):
    1 out of 6 assignments used, quality = 0.99:
      HH2   TRP    4 + HZ2   TRP    4  OK    99    99 100 100  2.5-2.5   2.5=100
      HE    ARG   10 - HH12  ARG   10  far    0    65   0   -  4.0-4.0
      HH2   TRP    4 - HE3   TRP    4  far    0    81   0   -  4.3-4.3
      HE1   PHE    9 - HE3   TRP    4  far    0    78   0   -  6.9-9.1
      HE    ARG   10 - HE3   TRP    4  far    0    53   0   -  8.4-11.3
      HE1   PHE    9 - HH12  ARG   10  far    0    95   0   -  9.2-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 46 from carmennoesy2.xpk (6.81, 7.29 ppm; 4.64 A):
    0 out of 4 assignments used, quality = 0.00:
      HZ3   TRP    4 - HD2   PHE    5  far    0   100   0   -  5.7-10.3
      HZ3   TRP    4 - HD1   PHE    5  far    0    99   0   -  5.8-9.6
      HZ3   TRP    4 - HD1   TRP    4  far    0    37   0   -  6.7-6.7
      HH21  ARG   10 - HD1   PHE    5  far    0    99   0   -  7.2-9.1
    Violated in 20 structures by 0.89 A.
 
    Peak 47 from carmennoesy2.xpk (7.05, 7.28 ppm; 3.39 A):
    1 out of 6 assignments used, quality = 0.51:
      HE1   PHE    9 + HD1   PHE    5  OK    51    82 100  62  2.0-2.4   279/3.7=33, 283/4.4=25
      HE1   PHE    9 - HD2   PHE    5  far    0    79   0   -  5.6-6.4
      HH2   TRP    4 - HD1   TRP    4  far    0    67   0   -  6.6-6.6
      HE    ARG   10 - HD1   PHE    5  far    0    49   0   -  7.7-8.8
      HH2   TRP    4 - HD2   PHE    5  far    0    89   0   -  7.9-11.9
      HH2   TRP    4 - HD1   PHE    5  far    0    92   0   -  8.0-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 48 from carmennoesy2.xpk (7.45, 7.04 ppm; 2.68 A):
    1 out of 6 assignments used, quality = 0.98:
      HZ2   TRP    4 + HH2   TRP    4  OK    98    98 100 100  2.5-2.5   2.5=100
      HH12  ARG   10 - HE    ARG   10  far    0    65   0   -  4.0-4.0
      HE3   TRP    4 - HH2   TRP    4  far    0    76   0   -  4.3-4.3
      HE3   TRP    4 - HE1   PHE    9  far    0    73   0   -  6.9-9.1
      HE3   TRP    4 - HE    ARG   10  far    0    51   0   -  8.4-11.3
      HH12  ARG   10 - HE1   PHE    9  far    0    94   0   -  9.2-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 49 from carmennoesy2.xpk (8.04, 7.05 ppm; 4.02 A):
    1 out of 6 assignments used, quality = 0.34:
      H     ARG   10 + HE    ARG   10  OK    34    34 100 100  2.3-2.9   40=100, 142/3.5=47...(11)
      H     PHE    5 - HE1   PHE    9  far    0    75   0   -  6.3-6.7
      H     ARG   10 - HE1   PHE    9  far    0    66   0   -  7.3-7.6
      H     PHE    5 - HH2   TRP    4  far    0    92   0   -  8.0-8.9
      H     PHE    5 - HE    ARG   10  far    0    39   0   -  8.7-9.6
      H     ARG   10 - HH2   TRP    4  far    0    80   0   -  9.0-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 50 from carmennoesy2.xpk (8.04, 7.29 ppm; 5.18 A):
    2 out of 8 assignments used, quality = 1.00:
      H     PHE    5 + HD2   PHE    5  OK    99    99 100 100  2.5-3.5   37=100, 122/3.7=87...(6)
      H     PHE    5 + HD1   PHE    5  OK    99    99 100 100  4.6-5.2   122/3.7=87, 121/3.7=84...(6)
      H     THR    3 - HD2   PHE    5  poor  11    45  25   -  5.1-5.8
      H     PHE    5 - HD1   TRP    4  far    0    42   0   -  5.7-5.9
      H     ARG   10 - HD1   PHE    5  far    0    69   0   -  7.5-8.4
      H     THR    3 - HD1   PHE    5  far    0    45   0   -  8.4-8.9
      H     ARG   10 - HD2   PHE    5  far    0    69   0   -  9.7-10.3
      H     ARG   10 - HD1   TRP    4  far    0    29   0   -  9.8-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 51 from carmennoesy2.xpk (7.90, 7.05 ppm; 5.50 A):
    0 out of 2 assignments used, quality = 0.00:
      H     TRP    4 - HH2   TRP    4  far    0    84   0   -  8.3-9.0
      H     TRP    4 - HE1   PHE    9  far    0    64   0   -  8.8-9.5
    Violated in 20 structures by 2.54 A.
 
    Peak 52 from carmennoesy2.xpk (8.19, 7.04 ppm; 4.71 A increased from 4.18 A):
    1 out of 3 assignments used, quality = 0.84:
      H     PHE    9 + HE    ARG   10  OK    84    84 100 100  4.2-4.6   41=89, 133/264=83...(7)
      H     PHE    9 - HE1   PHE    9  far    0    99   0   -  5.0-5.6
      H     PHE    9 - HH2   TRP    4  far    0    92   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 53 from carmennoesy2.xpk (7.83, 7.00 ppm; 3.82 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 54 from carmennoesy2.xpk (7.83, 6.87 ppm; 4.13 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 55 from carmennoesy2.xpk (7.46, 6.81 ppm; 2.51 A):
    1 out of 3 assignments used, quality = 0.99:
      HE3   TRP    4 + HZ3   TRP    4  OK    99    99 100 100  2.5-2.5   2.5=100
      HH12  ARG   10 - HH21  ARG   10  far    0    85   0   -  3.5-3.5
      HZ2   TRP    4 - HZ3   TRP    4  far    0    81   0   -  4.3-4.3
    Violated in 0 structures by 0.00 A.
 
    Peak 56 from carmennoesy2.xpk (7.28, 6.81 ppm; 3.94 A):
    0 out of 4 assignments used, quality = 0.00:
      HD2   PHE    5 - HZ3   TRP    4  far    0    98   0   -  5.7-10.3
      HD1   PHE    5 - HZ3   TRP    4  far    0    99   0   -  5.8-9.6
      HD1   TRP    4 - HZ3   TRP    4  far    0    51   0   -  6.7-6.7
      HD1   PHE    5 - HH21  ARG   10  far    0    99   0   -  7.2-9.1
    Violated in 20 structures by 1.59 A.
 
    Peak 57 from carmennoesy2.xpk (7.04, 6.81 ppm; 2.51 A):
    2 out of 5 assignments used, quality = 1.00:
      HH2   TRP    4 + HZ3   TRP    4  OK   100   100 100 100  2.4-2.4   2.4=100
      HE    ARG   10 + HH21  ARG   10  OK    59    59 100 100  2.3-2.3   2.3=100
      HE1   PHE    9 - HH21  ARG   10  far    0    92   0   -  6.0-8.0
      HE1   PHE    9 - HZ3   TRP    4  far    0    93   0   -  7.2-10.9
      HE    ARG   10 - HZ3   TRP    4  far    0    59   0   -  8.9-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 58 from carmennoesy2.xpk (7.00, 6.87 ppm; 2.40 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 59 from carmennoesy2.xpk (8.03, 7.04 ppm; 3.89 A):
    1 out of 6 assignments used, quality = 0.92:
      H     ARG   10 + HE    ARG   10  OK    92    92 100 100  2.3-2.9   40=87, 3.0/284=61...(11)
      H     PHE    5 - HE1   PHE    9  far    0    83   0   -  6.3-6.7
      H     ARG   10 - HE1   PHE    9  far    0    95   0   -  7.3-7.6
      H     PHE    5 - HH2   TRP    4  far    0    71   0   -  8.0-8.9
      H     PHE    5 - HE    ARG   10  far    0    81   0   -  8.7-9.6
      H     ARG   10 - HH2   TRP    4  far    0    81   0   -  9.0-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 60 from carmennoesy2.xpk (8.37, 7.29 ppm; 5.50 A):
    2 out of 3 assignments used, quality = 1.00:
      H     ILE    6 + HD1   PHE    5  OK   100   100 100 100  4.8-5.0   130/3.7=89, 129/3.7=87...(5)
      H     ILE    6 + HD2   PHE    5  OK    99    99 100 100  4.7-5.0   13/37=90, 130/3.7=89...(4)
      H     ILE    6 - HD1   TRP    4  far    0    47   0   -  7.5-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 61 from carmennoesy2.xpk (8.04, 7.27 ppm; 4.44 A):
    1 out of 7 assignments used, quality = 0.42:
      H     PHE    5 + HD2   PHE    5  OK    42    43 100  99  2.5-3.5   37=78, 122/3.7=71...(6)
      H     PHE    5 - HD1   PHE    5  far    0    47   0   -  4.6-5.2
      H     PHE    5 - HD1   TRP    4  far    0   100   0   -  5.7-5.9
      H     THR    3 - HD1   TRP    4  far    0    41   0   -  6.1-6.8
      H     ARG   10 - HD1   PHE    5  far    0    34   0   -  7.5-8.4
      H     ARG   10 - HD2   PHE    5  far    0    31   0   -  9.7-10.3
      H     ARG   10 - HD1   TRP    4  far    0    73   0   -  9.8-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 62 from carmennoesy2.xpk (7.90, 7.27 ppm; 4.46 A increased from 3.75 A):
    1 out of 3 assignments used, quality = 1.00:
      H     TRP    4 + HD1   TRP    4  OK   100   100 100 100  4.0-4.4   36=100, 120/241=86...(4)
      H     TRP    4 - HD2   PHE    5  far    4    41  10   -  4.4-5.5
      H     TRP    4 - HD1   PHE    5  far    0    45   0   -  7.3-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 63 from carmennoesy2.xpk (7.18, 7.04 ppm; 2.40 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 64 from carmennoesy2.xpk (7.28, 7.13 ppm; 3.44 A):
    1 out of 2 assignments used, quality = 0.86:
      HD1   PHE    5 + HE1   PHE    5  OK    86    86 100 100  2.5-2.5   2.5=100
      HD2   PHE    5 - HE1   PHE    5  far    0    84   0   -  4.9-4.9
    Violated in 0 structures by 0.00 A.
 
    Peak 65 from carmennoesy2.xpk (7.22, 7.13 ppm; 2.44 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 66 from carmennoesy2.xpk (7.22, 7.11 ppm; 2.60 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 67 from carmennoesy2.xpk (6.87, 7.00 ppm; 2.40 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 68 from carmennoesy2.xpk (6.81, 7.04 ppm; 2.40 A):
    2 out of 5 assignments used, quality = 0.98:
      HZ3   TRP    4 + HH2   TRP    4  OK    95   100 100  95  2.4-2.4   2.4=95
      HH21  ARG   10 + HE    ARG   10  OK    62    62 100 100  2.3-2.3   2.3=100
      HH21  ARG   10 - HE1   PHE    9  far    0    94   0   -  6.0-8.0
      HZ3   TRP    4 - HE1   PHE    9  far    0    94   0   -  7.2-10.9
      HZ3   TRP    4 - HE    ARG   10  far    0    62   0   -  8.9-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 69 from carmennoesy2.xpk (7.04, 7.18 ppm; 2.40 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 70 from carmennoesy2.xpk (7.12, 7.22 ppm; 2.49 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 71 from carmennoesy2.xpk (4.57, 8.06 ppm; 4.17 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 72 from carmennoesy2.xpk (4.35, 8.06 ppm; 3.68 A):
    2 out of 6 assignments used, quality = 0.99:
      HA    LEU    2 + H     THR    3  OK    98    98 100 100  3.5-3.5   3.6=100
      HA    TRP    4 + H     PHE    5  OK    36    36 100 100  3.5-3.5   3.6=100
      HA    LEU    2 - H     PHE    5  poor  14    44  90  37  3.4-3.8   75/4.7=16, 251/5.5=15, 77/4.6=8
      HA    TRP    4 - H     THR    3  far    0    79   0   -  5.1-5.3
      HA    ASN    7 - H     PHE    5  far    0    23   0   -  6.5-6.7
      HA    ASN    7 - H     THR    3  far    0    51   0   -  8.1-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 73 from carmennoesy2.xpk (4.36, 8.03 ppm; 3.62 A):
    2 out of 5 assignments used, quality = 0.94:
      HA    TRP    4 + H     PHE    5  OK    92    92 100 100  3.5-3.5   3.6=100
      HA    LEU    2 + H     PHE    5  OK    24    79  75  40  3.4-3.8   75/21=18, 251/37=17, 77/13=9
      HA    ASN    7 - H     ARG   10  far    0    75   0   -  4.2-4.5
      HA    ASN    7 - H     PHE    5  far    0    74   0   -  6.5-6.7
      HA    TRP    4 - H     ARG   10  far    0    93   0   -  7.5-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 74 from carmennoesy2.xpk (4.37, 7.98 ppm; 3.22 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    ASN    7 + H     ASN    7  OK    99    99 100 100  2.8-2.8   3.0=100
      HA    TRP    4 - H     ASN    7  poor  19    93  20   -  3.3-3.8
      HA    LEU    2 - H     ASN    7  far    0    51   0   -  6.6-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 75 from carmennoesy2.xpk (4.35, 7.90 ppm; 4.65 A):
    2 out of 3 assignments used, quality = 0.99:
      HA    LEU    2 + H     TRP    4  OK    96   100 100  96  4.2-4.4   3.6/20=81, 3.0/163=54...(5)
      HA    TRP    4 + H     TRP    4  OK    70    70 100 100  2.8-2.9   3.0=100
      HA    ASN    7 - H     TRP    4  far    0    41   0   -  6.8-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 76 from carmennoesy2.xpk (4.37, 8.19 ppm; 4.87 A):
    1 out of 3 assignments used, quality = 0.96:
      HA    ASN    7 + H     PHE    9  OK    96    97 100  98  4.6-4.9   3.6/24=85, 3.0/15=79, 105/223=40
      HA    TRP    4 - H     PHE    9  far    0    96   0   -  5.9-6.6
      HA    LEU    2 - H     PHE    9  far    0    58   0   -  8.6-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 77 from carmennoesy2.xpk (4.36, 8.37 ppm; 5.28 A increased from 4.22 A):
    3 out of 3 assignments used, quality = 0.99:
      HA    TRP    4 + H     ILE    6  OK    86    92 100  93  4.6-5.3   3.6/13=90, 3.0/221=19, 82/220=4
      HA    LEU    2 + H     ILE    6  OK    69    93  95  79  4.7-5.6   4.9/97=62, 73/13=18...(4)
      HA    ASN    7 + H     ILE    6  OK    67    67 100 100  5.1-5.4   3.0/18=98, 3.0/137=75
    Violated in 0 structures by 0.00 A.
 
    Peak 78 from carmennoesy2.xpk (4.35, 8.40 ppm; 3.26 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    LEU    2 + H     LEU    2  OK    99    99 100 100  2.8-2.9   3.0=100
      HA    TRP    4 - H     LEU    2  far    0    76   0   -  6.5-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 79 from carmennoesy2.xpk (4.24, 8.40 ppm; 5.00 A):
    1 out of 1 assignment used, quality = 0.97:
      HB    THR    3 + H     LEU    2  OK    97    99 100  98  4.5-5.0   80/12=93, 81/221=31...(5)
    Violated in 4 structures by 0.00 A.
 
    Peak 80 from carmennoesy2.xpk (4.24, 8.06 ppm; 3.17 A):
    1 out of 1 assignment used, quality = 0.83:
      HB    THR    3 + H     THR    3  OK    83    99 100  84  2.6-2.7   4.0=48, 81/20=33...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 81 from carmennoesy2.xpk (4.24, 7.90 ppm; 4.20 A increased from 3.54 A):
    1 out of 1 assignment used, quality = 0.98:
      HB    THR    3 + H     TRP    4  OK    98   100 100  98  4.0-4.0   80/20=77, 4.6=75...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 82 from carmennoesy2.xpk (4.37, 7.64 ppm; 4.02 A):
    1 out of 3 assignments used, quality = 0.97:
      HA    ASN    7 + H     LYS    8  OK    97    97 100 100  3.5-3.5   3.6=100
      HA    TRP    4 - H     LYS    8  lone   8    95  60  13  3.8-4.5   77/220=9
      HA    LEU    2 - H     LYS    8  far    0    56   0   -  8.0-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 83 from carmennoesy2.xpk (4.16, 7.97 ppm; 4.22 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 84 from carmennoesy2.xpk (4.15, 8.04 ppm; 4.11 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 85 from carmennoesy2.xpk (4.03, 8.06 ppm; 4.58 A):
    1 out of 1 assignment used, quality = 0.89:
      HA3   GLY    1 + H     THR    3  OK    89    98 100  90  3.4-4.5   3.6/12=80, 88/20=47
    Violated in 0 structures by 0.00 A.
 
    Peak 86 from carmennoesy2.xpk (4.04, 8.03 ppm; 3.73 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    PHE    9 + H     ARG   10  OK    99    99 100 100  3.5-3.6   3.6=100
      HA3   GLY    1 - H     PHE    5  far    0    64   0   -  4.5-5.9
      HA    PHE    9 - H     PHE    5  far    0    80   0   -  8.1-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 87 from carmennoesy2.xpk (4.16, 7.90 ppm; 3.34 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 88 from carmennoesy2.xpk (4.02, 7.90 ppm; 4.82 A):
    1 out of 1 assignment used, quality = 0.48:
      HA3   GLY    1 + H     TRP    4  OK    48    65 100  74  3.2-4.3   85/20=54, 3.6/221=39
    Violated in 0 structures by 0.00 A.
 
    Peak 89 from carmennoesy2.xpk (4.08, 7.84 ppm; 3.49 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LYS   13 + H     LYS   13  OK   100   100 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 90 from carmennoesy2.xpk (4.04, 7.70 ppm; 4.37 A):
    1 out of 1 assignment used, quality = 0.91:
      HA    PHE    9 + H     VAL   12  OK    91   100 100  91  3.3-3.8   302/210=60, 3.6/27=56, 106/31=48
    Violated in 0 structures by 0.00 A.
 
    Peak 91 from carmennoesy2.xpk (4.15, 7.64 ppm; 5.14 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 92 from carmennoesy2.xpk (4.04, 7.64 ppm; 5.36 A):
    1 out of 2 assignments used, quality = 0.98:
      HA    PHE    9 + H     LYS    8  OK    98    98 100 100  4.9-4.9   3.0/24=98, 3.6/26=80, 3.0/126=67
      HA3   GLY    1 - H     LYS    8  far    0    82   0   -  8.4-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 93 from carmennoesy2.xpk (4.03, 8.13 ppm; 2.94 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 94 from carmennoesy2.xpk (4.04, 8.19 ppm; 3.39 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    PHE    9 + H     PHE    9  OK    99    99 100 100  2.8-2.8   3.0=100
      HA3   GLY    1 - H     PHE    9  far    0    80   0   -  9.9-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 95 from carmennoesy2.xpk (4.02, 8.40 ppm; 3.34 A):
    1 out of 1 assignment used, quality = 0.81:
      HA3   GLY    1 + H     LEU    2  OK    81    84 100  97  2.1-3.3   3.6=82, 1.8/96=68...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 96 from carmennoesy2.xpk (3.92, 8.40 ppm; 3.43 A):
    1 out of 2 assignments used, quality = 0.75:
      HA2   GLY    1 + H     LEU    2  OK    75    77 100  97  2.1-3.5   3.6=90, 1.8/95=74
      HA    THR    3 - H     LEU    2  far    0    98   0   -  4.8-5.2
    Violated in 4 structures by 0.01 A.
 
    Peak 97 from carmennoesy2.xpk (3.92, 8.37 ppm; 4.17 A increased from 3.71 A):
    1 out of 2 assignments used, quality = 0.68:
      HA    THR    3 + H     ILE    6  OK    68    99 100  69  3.5-4.0   100/18=60, 3.6/221=11, 4.9/77=10
      HA2   GLY    1 - H     ILE    6  far    0    79   0   -  7.4-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 98 from carmennoesy2.xpk (3.92, 8.06 ppm; 3.19 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    THR    3 + H     THR    3  OK   100   100 100 100  2.8-2.9   3.0=100
      HA2   GLY    1 - H     THR    3  far    0    69   0   -  3.7-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 99 from carmennoesy2.xpk (3.89, 8.03 ppm; 3.11 A):
    2 out of 3 assignments used, quality = 0.98:
      HA    PHE    5 + H     PHE    5  OK    88    88 100 100  2.8-2.8   3.0=100
      HA    ARG   10 + H     ARG   10  OK    83    83 100 100  2.8-2.9   3.0=100
      HA    PHE    5 - H     ARG   10  far    0    87   0   -  6.6-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 100 from carmennoesy2.xpk (3.92, 7.98 ppm; 4.13 A):
    1 out of 2 assignments used, quality = 0.48:
      HA    THR    3 + H     ASN    7  OK    48    99  80  60  3.8-4.4   97/18=58
      HA2   GLY    1 - H     ASN    7  far    0    77   0   -  8.3-9.7
    Violated in 4 structures by 0.05 A.
 
    Peak 101 from carmennoesy2.xpk (3.92, 7.90 ppm; 3.71 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    THR    3 + H     TRP    4  OK    99    99 100 100  3.5-3.5   3.6=100
      HA2   GLY    1 - H     TRP    4  far    0    73   0   -  4.2-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 102 from carmennoesy2.xpk (3.89, 8.19 ppm; 4.26 A):
    1 out of 2 assignments used, quality = 0.73:
      HA    PHE    5 + H     PHE    9  OK    73   100 100  73  4.0-4.3   107/24=65, 283/7.4=18
      HA    ARG   10 - H     PHE    9  far    0    70   0   -  5.4-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 103 from carmennoesy2.xpk (3.91, 8.13 ppm; 5.10 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 104 from carmennoesy2.xpk (3.82, 8.19 ppm; 3.95 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LYS    8 + H     PHE    9  OK   100   100 100 100  3.5-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 105 from carmennoesy2.xpk (4.36, 7.56 ppm; 5.09 A):
    1 out of 2 assignments used, quality = 0.48:
      HA    ASN    7 + H     ILE   11  OK    48    94 100  51  4.6-5.1   76/223=46
      HA    TRP    4 - H     ILE   11  far    0    99   0   -  8.2-8.9
    Violated in 1 structures by 0.00 A.
 
    Peak 106 from carmennoesy2.xpk (4.04, 7.56 ppm; 4.99 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    PHE    9 + H     ILE   11  OK    97    97 100 100  4.2-4.9   3.6/25=84, 90/31=72...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 107 from carmennoesy2.xpk (3.89, 7.63 ppm; 3.94 A):
    1 out of 3 assignments used, quality = 0.71:
      HA    PHE    5 + H     LYS    8  OK    71   100 100  71  3.7-3.9   102/24=51, 3.6/220=38
      HA    ARG   10 - H     LYS    8  far    0    67   0   -  6.7-7.0
      HA2   GLY    1 - H     LYS    8  far    0    39   0   -  8.6-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 108 from carmennoesy2.xpk (3.82, 7.63 ppm; 3.37 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LYS    8 + H     LYS    8  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 109 from carmennoesy2.xpk (3.84, 7.56 ppm; 3.29 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    ILE   11 + H     ILE   11  OK    99    99 100 100  2.8-2.9   3.0=100
      HA    LYS    8 - H     ILE   11  poor  15    42  95  37  3.1-3.6   3.6/223=21, 4.8/106=19
      HA    VAL   12 - H     ILE   11  far    0    99   0   -  5.1-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 110 from carmennoesy2.xpk (3.85, 7.70 ppm; 3.28 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    VAL   12 + H     VAL   12  OK    99    99 100 100  2.8-2.9   3.0=100
      HA    ILE   11 - H     VAL   12  far    0    99   0   -  3.5-3.6
    Violated in 0 structures by 0.00 A.
 
    Peak 111 from carmennoesy2.xpk (3.87, 7.56 ppm; 3.75 A):
    1 out of 1 assignment used, quality = 0.79:
      HA    ARG   10 + H     ILE   11  OK    79    79 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 112 from carmennoesy2.xpk (3.85, 7.83 ppm; 3.76 A):
    1 out of 2 assignments used, quality = 0.98:
      HA    VAL   12 + H     LYS   13  OK    98    98 100 100  3.5-3.6   3.6=100
      HA    ILE   11 - H     LYS   13  far    0    98   0   -  4.4-5.0
    Violated in 0 structures by 0.00 A.
 
    Peak 113 from carmennoesy2.xpk (3.83, 7.98 ppm; 5.50 A increased from 5.22 A):
    1 out of 2 assignments used, quality = 0.95:
      HA    LYS    8 + H     ASN    7  OK    95    95 100 100  5.3-5.4   3.0/28=99, 3.6/15=83, 3.0/153=76
      HA    ILE   11 - H     ASN    7  far    0    53   0   -  8.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 114 from carmennoesy2.xpk (3.62, 7.63 ppm; 4.71 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ILE    6 + H     LYS    8  OK   100   100 100 100  3.9-4.2   3.6/28=82, 117/24=77...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 115 from carmennoesy2.xpk (3.62, 7.97 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ILE    6 + H     ASN    7  OK    99    99 100 100  3.5-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 116 from carmennoesy2.xpk (3.62, 8.03 ppm; 4.32 A):
    1 out of 2 assignments used, quality = 0.87:
      HA    ILE    6 + H     ARG   10  OK    87    93 100  94  3.4-4.1   117/23=66, 282/40=50...(5)
      HA    ILE    6 - H     PHE    5  far    0    95   0   -  5.4-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 117 from carmennoesy2.xpk (3.62, 8.19 ppm; 3.88 A):
    1 out of 1 assignment used, quality = 0.91:
      HA    ILE    6 + H     PHE    9  OK    91    99 100  92  3.1-3.2   116/23=48, 3.6/15=47...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 118 from carmennoesy2.xpk (3.44, 8.04 ppm; 3.63 A):
    1 out of 2 assignments used, quality = 0.85:
      HB2   TRP    4 + H     PHE    5  OK    85   100 100  85  2.6-3.2   119/21=60, 4.6=48, 256/37=24
      HB2   TRP    4 - H     ARG   10  far    0    79   0   -  8.7-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 119 from carmennoesy2.xpk (3.44, 7.90 ppm; 3.16 A):
    1 out of 1 assignment used, quality = 0.74:
      HB2   TRP    4 + H     TRP    4  OK    74   100  80  93  2.9-3.3   1.8/120=71, 4.0=49...(4)
    Violated in 4 structures by 0.03 A.
 
    Peak 120 from carmennoesy2.xpk (3.31, 7.90 ppm; 3.10 A):
    1 out of 1 assignment used, quality = 0.91:
      HB3   TRP    4 + H     TRP    4  OK    91    99 100  91  2.1-2.2   1.8/119=67, 4.0=46...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 121 from carmennoesy2.xpk (3.29, 8.04 ppm; 3.58 A increased from 3.18 A):
    1 out of 2 assignments used, quality = 0.99:
      HB2   PHE    5 + H     PHE    5  OK    99   100 100  99  3.4-3.5   3.8=80, 1.8/122=79...(5)
      HB2   PHE    5 - H     ARG   10  far    0    79   0   -  6.9-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 122 from carmennoesy2.xpk (3.23, 8.04 ppm; 3.32 A):
    1 out of 2 assignments used, quality = 0.96:
      HB3   PHE    5 + H     PHE    5  OK    96    99 100  97  2.1-2.2   3.8=64, 1.8/121=64...(6)
      HB3   PHE    5 - H     ARG   10  far    0    80   0   -  7.9-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 123 from carmennoesy2.xpk (3.14, 8.03 ppm; 3.42 A):
    1 out of 2 assignments used, quality = 0.94:
      HB3   PHE    9 + H     ARG   10  OK    94    98 100  96  2.7-3.2   1.8/132=62, 127/23=49...(6)
      HB3   PHE    9 - H     PHE    5  far    0    75   0   -  8.1-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 124 from carmennoesy2.xpk (3.22, 7.98 ppm; 4.90 A):
    1 out of 1 assignment used, quality = 0.94:
      HB3   PHE    5 + H     ASN    7  OK    94    98 100  96  4.6-4.9   130/18=86, 1.8/125=70
    Violated in 1 structures by 0.00 A.
 
    Peak 125 from carmennoesy2.xpk (3.29, 7.98 ppm; 5.32 A increased from 5.01 A):
    1 out of 2 assignments used, quality = 0.88:
      HB2   PHE    5 + H     ASN    7  OK    88    89 100  99  4.8-5.0   1.8/124=90, 4.2/18=84
      HB3   TRP    4 - H     ASN    7  far    0    56   0   -  5.6-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 126 from carmennoesy2.xpk (3.14, 7.64 ppm; 5.50 A increased from 5.29 A):
    1 out of 1 assignment used, quality = 0.98:
      HB3   PHE    9 + H     LYS    8  OK    98    99 100 100  5.4-5.6   127/24=96, 123/26=84, 3.0/92=72
    Violated in 18 structures by 0.02 A.
 
    Peak 127 from carmennoesy2.xpk (3.14, 8.19 ppm; 3.46 A increased from 3.26 A):
    1 out of 1 assignment used, quality = 0.98:
      HB3   PHE    9 + H     PHE    9  OK    98   100 100  98  3.4-3.4   1.8/133=81, 4.1=62...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 128 from carmennoesy2.xpk (3.62, 8.37 ppm; 3.44 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ILE    6 + H     ILE    6  OK   100   100 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 129 from carmennoesy2.xpk (3.28, 8.37 ppm; 3.75 A):
    1 out of 1 assignment used, quality = 0.96:
      HB2   PHE    5 + H     ILE    6  OK    96    97 100  99  2.5-2.8   1.8/130=79, 4.2=70...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 130 from carmennoesy2.xpk (3.22, 8.37 ppm; 3.55 A):
    1 out of 1 assignment used, quality = 0.95:
      HB3   PHE    5 + H     ILE    6  OK    95    98 100  97  2.4-2.8   1.8/129=67, 4.2=60...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 131 from carmennoesy2.xpk (2.81, 7.98 ppm; 3.09 A):
    1 out of 2 assignments used, quality = 0.89:
      HB2   ASN    7 + H     ASN    7  OK    89   100 100  89  2.1-2.5   1.8/134=54, 3.9=51...(4)
      HB2   PHE    9 - H     ASN    7  far    0    53   0   -  4.6-4.8
    Violated in 0 structures by 0.00 A.
 
    Peak 132 from carmennoesy2.xpk (2.80, 8.03 ppm; 3.77 A):
    1 out of 4 assignments used, quality = 0.97:
      HB2   PHE    9 + H     ARG   10  OK    97    98 100  99  2.8-3.1   1.8/123=83, 133/23=64...(4)
      HB2   ASN    7 - H     PHE    5  far    0    46   0   -  4.3-5.0
      HB2   ASN    7 - H     ARG   10  far    0    60   0   -  6.0-6.5
      HB2   PHE    9 - H     PHE    5  far    0    75   0   -  6.3-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 133 from carmennoesy2.xpk (2.80, 8.19 ppm; 3.13 A):
    1 out of 2 assignments used, quality = 0.90:
      HB2   PHE    9 + H     PHE    9  OK    90   100 100  90  2.1-2.1   1.8/127=59, 4.1=46...(4)
      HB2   ASN    7 - H     PHE    9  far    0    49   0   -  4.9-5.7
    Violated in 0 structures by 0.00 A.
 
    Peak 134 from carmennoesy2.xpk (2.64, 7.98 ppm; 3.62 A increased from 3.41 A):
    1 out of 1 assignment used, quality = 0.99:
      HB3   ASN    7 + H     ASN    7  OK    99   100 100  99  2.6-3.5   1.8/131=86, 3.9=83, 135/28=48
    Violated in 0 structures by 0.00 A.
 
    Peak 135 from carmennoesy2.xpk (2.64, 7.63 ppm; 3.90 A):
    1 out of 1 assignment used, quality = 0.97:
      HB3   ASN    7 + H     LYS    8  OK    97    99 100  98  2.8-4.0   1.8/136=77, 4.3=75, 134/28=61
    Violated in 1 structures by 0.00 A.
 
    Peak 136 from carmennoesy2.xpk (2.81, 7.63 ppm; 3.81 A):
    1 out of 2 assignments used, quality = 0.94:
      HB2   ASN    7 + H     LYS    8  OK    94    96 100  98  2.7-3.7   1.8/135=72, 4.3=70...(4)
      HB2   PHE    9 - H     LYS    8  far    0    66   0   -  3.9-4.0
    Violated in 0 structures by 0.00 A.
 
    Peak 137 from carmennoesy2.xpk (2.81, 8.37 ppm; 4.66 A):
    1 out of 2 assignments used, quality = 0.93:
      HB2   ASN    7 + H     ILE    6  OK    93    98 100  95  4.3-4.7   131/18=88, 136/220=51, 3.0/77=16
      HB2   PHE    9 - H     ILE    6  lone   5    61 100   8  4.2-4.5
    Violated in 1 structures by 0.00 A.
 
    Peak 138 from carmennoesy2.xpk (2.06, 8.13 ppm; 2.88 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 139 from carmennoesy2.xpk (1.90, 8.03 ppm; 3.09 A):
    1 out of 2 assignments used, quality = 0.61:
      HB2   ARG   10 + H     ARG   10  OK    61    75 100  82  2.1-2.7   4.0=47, 3.0/142=32...(5)
      HB2   ARG   10 - H     PHE    5  far    0    61   0   -  8.9-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 140 from carmennoesy2.xpk (1.94, 7.98 ppm; 3.34 A):
    1 out of 3 assignments used, quality = 0.94:
      HB    ILE    6 + H     ASN    7  OK    94   100 100  94  2.5-2.8   145/18=53, 4.4=43...(6)
      HB    ILE   11 - H     ASN    7  far    0   100   0   -  7.4-8.1
      HB2   LYS   13 - H     ASN    7  far    0    47   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 141 from carmennoesy2.xpk (1.79, 7.98 ppm; 4.50 A):
    1 out of 1 assignment used, quality = 0.94:
      HG13  ILE    6 + H     ASN    7  OK    94    95 100 100  4.1-4.2   3.0/140=83, 144/18=81...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 142 from carmennoesy2.xpk (1.69, 8.03 ppm; 4.22 A increased from 3.97 A):
    1 out of 2 assignments used, quality = 0.98:
      HG2   ARG   10 + H     ARG   10  OK    98    99 100  99  2.0-4.2   4.5=82, 3.0/139=81...(4)
      HG2   ARG   10 - H     PHE    5  far    0    75   0   -  8.5-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 143 from carmennoesy2.xpk (1.82, 8.06 ppm; 3.24 A):
    1 out of 2 assignments used, quality = 0.81:
      HB2   LEU    2 + H     THR    3  OK    81    96 100  84  2.5-2.8   146/16=53, 4.5=38...(8)
      HB2   LEU    2 - H     PHE    5  far    0    40   0   -  5.4-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 144 from carmennoesy2.xpk (1.79, 8.37 ppm; 3.30 A):
    1 out of 1 assignment used, quality = 0.93:
      HG13  ILE    6 + H     ILE    6  OK    93    97 100  96  1.9-2.2   1.8/150=58, 3.0/145=55...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 145 from carmennoesy2.xpk (1.94, 8.37 ppm; 3.11 A):
    1 out of 2 assignments used, quality = 0.96:
      HB    ILE    6 + H     ILE    6  OK    96   100 100  96  2.5-2.6   3.7=59, 3.0/144=46...(11)
      HB    ILE   11 - H     ILE    6  far    0   100   0   -  9.1-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 146 from carmennoesy2.xpk (1.82, 8.40 ppm; 2.96 A increased from 2.79 A):
    1 out of 1 assignment used, quality = 0.80:
      HB2   LEU    2 + H     LEU    2  OK    80    99 100  82  2.2-2.9   3.6=57, 143/16=41...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 147 from carmennoesy2.xpk (2.06, 8.40 ppm; 4.79 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 148 from carmennoesy2.xpk (2.06, 8.06 ppm; 4.90 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 149 from carmennoesy2.xpk (2.06, 7.90 ppm; 5.07 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 150 from carmennoesy2.xpk (1.25, 8.37 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 0.99:
      HG12  ILE    6 + H     ILE    6  OK    99   100 100  99  3.1-3.6   1.8/144=85, 3.0/145=68...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 151 from carmennoesy2.xpk (1.30, 8.19 ppm; 3.35 A):
    1 out of 4 assignments used, quality = 0.82:
      HB2   LYS    8 + H     PHE    9  OK    82    92 100  89  2.6-3.2   195/24=55, 4.4=45...(5)
      HG21  THR    3 - H     PHE    9  far    0    79   0   -  8.7-10.7
      HG22  THR    3 - H     PHE    9  far    0    79   0   -  8.8-10.7
      HG23  THR    3 - H     PHE    9  far    0    79   0   -  8.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 152 from carmennoesy2.xpk (1.31, 8.06 ppm; 3.57 A):
    3 out of 4 assignments used, quality = 0.99:
      HG22  THR    3 + H     THR    3  OK    82    99 100  83  1.9-3.5   3.0/80=61, 4.8=41...(4)
      HG21  THR    3 + H     THR    3  OK    81    99 100  82  2.0-3.6   3.0/80=61, 5.0=36...(4)
      HG23  THR    3 + H     THR    3  OK    81    99 100  81  2.0-3.5   3.0/80=61, 5.1=35...(4)
      HB2   LYS    8 - H     THR    3  far    0    93   0   -  8.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 153 from carmennoesy2.xpk (1.31, 7.98 ppm; 5.08 A increased from 4.27 A):
    1 out of 4 assignments used, quality = 0.99:
      HB2   LYS    8 + H     ASN    7  OK    99   100 100  99  4.6-5.1   195/28=91, 151/15=72, 3.0/113=60
      HG21  THR    3 - H     ASN    7  far   10    97  10   -  5.1-6.8
      HG23  THR    3 - H     ASN    7  far    5    97   5   -  5.2-7.0
      HG22  THR    3 - H     ASN    7  far    0    97   0   -  5.2-7.1
    Violated in 1 structures by 0.00 A.
 
    Peak 154 from carmennoesy2.xpk (1.25, 7.98 ppm; 5.23 A increased from 4.92 A):
    1 out of 1 assignment used, quality = 0.99:
      HG12  ILE    6 + H     ASN    7  OK    99    99 100 100  4.9-5.0   3.0/140=95, 1.8/141=94...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 155 from carmennoesy2.xpk (1.32, 7.90 ppm; 4.12 A):
    3 out of 4 assignments used, quality = 0.99:
      HG21  THR    3 + H     TRP    4  OK    85    99 100  86  2.2-3.8   3.0/81=58, 5.0/20=44...(4)
      HG22  THR    3 + H     TRP    4  OK    80    99 100  80  2.0-3.8   3.0/81=58, 4.8/20=47, 158/221=6
      HG23  THR    3 + H     TRP    4  OK    78    99 100  79  2.3-3.8   3.0/81=58, 5.1/20=43, 158/221=6
      HB2   LYS    8 - H     TRP    4  far    0    91   0   -  6.5-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 156 from carmennoesy2.xpk (1.31, 8.04 ppm; 4.53 A):
    3 out of 9 assignments used, quality = 0.71:
      HG22  THR    3 + H     THR    3  OK    35    39 100  91  1.9-3.5   4.8=83, 3.0/80=25...(4)
      HG21  THR    3 + H     THR    3  OK    33    39 100  86  2.0-3.6   5.0=73, 3.0/80=25...(4)
      HG23  THR    3 + H     THR    3  OK    33    39 100  85  2.0-3.5   5.1=70, 3.0/80=25...(4)
      HG21  THR    3 - H     PHE    5  far    5    98   5   -  4.6-6.4
      HG22  THR    3 - H     PHE    5  far    0    98   0   -  4.7-6.3
      HG23  THR    3 - H     PHE    5  far    0    98   0   -  4.7-6.4
      HB2   LYS    8 - H     ARG   10  far    0    75   0   -  5.0-5.6
      HB2   LYS    8 - H     PHE    5  far    0    99   0   -  5.1-5.8
      HB2   LYS    8 - H     THR    3  far    0    39   0   -  8.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 157 from carmennoesy2.xpk (1.25, 8.37 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 0.99:
      HG12  ILE    6 + H     ILE    6  OK    99   100 100  99  3.1-3.6   1.8/144=85, 3.0/145=68...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 158 from carmennoesy2.xpk (1.32, 8.40 ppm; 5.35 A increased from 5.03 A):
    3 out of 4 assignments used, quality = 1.00:
      HG22  THR    3 + H     LEU    2  OK    88    97  95  95  3.3-5.5   4.8/16=76, 3.0/79=74, 155/221=12
      HG23  THR    3 + H     LEU    2  OK    87    97  95  94  3.2-5.5   3.0/79=74, 5.1/16=72, 155/221=12
      HG21  THR    3 + H     LEU    2  OK    83    97  90  95  3.4-5.5   3.0/79=74, 5.0/16=73, 155/221=13
      HB2   LYS    8 - H     LEU    2  far    0    87   0   -  9.7-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 159 from carmennoesy2.xpk (2.04, 7.83 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 0.96:
      HB    VAL   12 + H     LYS   13  OK    96   100 100  96  2.2-3.9   4.4=66, 210/43=59...(9)
    Violated in 1 structures by 0.00 A.
 
    Peak 160 from carmennoesy2.xpk (1.58, 7.84 ppm; 3.93 A):
    1 out of 1 assignment used, quality = 0.89:
      HD2   LYS   13 + H     LYS   13  OK    89    94 100  95  2.1-3.1   301/3.0=62, 2.8/161=57...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 161 from carmennoesy2.xpk (1.42, 7.83 ppm; 4.18 A increased from 3.72 A):
    1 out of 1 assignment used, quality = 0.94:
      HG2   LYS   13 + H     LYS   13  OK    94    99 100  95  3.6-4.2   2.8/160=69, 5.2=53...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 162 from carmennoesy2.xpk (1.27, 7.83 ppm; 4.33 A):
    0 out of 1 assignment used, quality = 0.00:
      HG12  ILE    6 - H     LYS   13  far    0    37   0   -  9.6-11.5
    Violated in 20 structures by 6.08 A.
 
    Peak 163 from carmennoesy2.xpk (1.82, 7.90 ppm; 5.24 A):
    1 out of 1 assignment used, quality = 0.98:
      HB2   LEU    2 + H     TRP    4  OK    98   100 100  99  4.9-5.2   143/20=94, 146/221=45, 3.0/75=45
    Violated in 0 structures by 0.00 A.
 
    Peak 164 from carmennoesy2.xpk (1.92, 8.19 ppm; 5.19 A increased from 4.88 A):
    1 out of 3 assignments used, quality = 0.83:
      HB2   ARG   10 + H     PHE    9  OK    83    85 100  97  4.7-5.2   4.0/23=84, 5.0/52=53, 4.7/223=49
      HB    ILE   11 - H     PHE    9  poor  16    52  30   -  5.1-5.5
      HB    ILE    6 - H     PHE    9  far    3    52   5   -  5.3-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 165 from carmennoesy2.xpk (1.82, 8.13 ppm; 4.85 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 166 from carmennoesy2.xpk (0.96, 8.37 ppm; 4.65 A increased from 3.72 A):
    3 out of 9 assignments used, quality = 1.00:
      HG21  ILE    6 + H     ILE    6  OK    98    98 100 100  4.4-4.5   3.0/145=89, 5.1=76...(9)
      HG23  ILE    6 + H     ILE    6  OK    98    98 100 100  4.6-4.7   3.0/145=89, 5.1=77...(7)
      HG22  ILE    6 + H     ILE    6  OK    98    98 100 100  4.4-4.5   3.0/145=90, 5.2=70...(7)
      HD11  LEU    2 - H     ILE    6  far    0    98   0   -  5.2-9.4
      HD13  LEU    2 - H     ILE    6  far    0    98   0   -  6.3-9.0
      HD12  LEU    2 - H     ILE    6  far    0    98   0   -  6.8-8.9
      HG22  VAL   12 - H     ILE    6  far    0    92   0   -  8.6-11.1
      HG23  VAL   12 - H     ILE    6  far    0    92   0   -  8.6-10.9
      HG21  VAL   12 - H     ILE    6  far    0    92   0   -  8.7-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 167 from carmennoesy2.xpk (0.90, 8.37 ppm; 4.53 A increased from 4.03 A):
    3 out of 3 assignments used, quality = 1.00:
      HD13  ILE    6 + H     ILE    6  OK    94   100  95 100  3.1-4.8   3.0/144=84, 3.0/150=77...(7)
      HD12  ILE    6 + H     ILE    6  OK    84   100  85 100  3.2-4.8   3.0/144=84, 3.0/150=77...(7)
      HD11  ILE    6 + H     ILE    6  OK    59   100  60 100  3.3-4.8   3.0/144=84, 3.0/150=77...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 168 from carmennoesy2.xpk (1.02, 8.37 ppm; 4.88 A):
    0 out of 3 assignments used, quality = 0.00:
      HD21  LEU    2 - H     ILE    6  poor  20   100  20   -  3.9-9.0
      HD22  LEU    2 - H     ILE    6  poor  20   100  20   -  4.1-7.7
      HD23  LEU    2 - H     ILE    6  far   15   100  15   -  4.1-8.5
    Violated in 14 structures by 0.65 A.
 
    Peak 169 from carmennoesy2.xpk (1.02, 8.40 ppm; 4.28 A):
    0 out of 3 assignments used, quality = 0.00:
      HD22  LEU    2 - H     LEU    2  far   10    98  10   -  3.8-5.9
      HD23  LEU    2 - H     LEU    2  far    5    98   5   -  3.9-5.9
      HD21  LEU    2 - H     LEU    2  far    0    98   0   -  4.6-6.0
    Violated in 4 structures by 0.01 A.
 
    Peak 170 from carmennoesy2.xpk (0.96, 8.40 ppm; 4.31 A):
    3 out of 4 assignments used, quality = 0.91:
      HD13  LEU    2 + H     LEU    2  OK    82    98 100  84  2.4-4.2   4.2/146=65, 6.1=36, 173/16=25
      HD11  LEU    2 + H     LEU    2  OK    32    98  40  81  2.7-5.3   4.2/146=65, 6.0=36, 173/16=10
      HD12  LEU    2 + H     LEU    2  OK    27    98  35  80  2.5-5.6   4.2/146=65, 6.1=36, 173/16=7
      HG23  ILE    6 - H     LEU    2  far    0    98   0   -  9.8-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 171 from carmennoesy2.xpk (0.97, 8.19 ppm; 5.49 A increased from 5.16 A):
    5 out of 7 assignments used, quality = 1.00:
      HG21  ILE    6 + H     PHE    9  OK    98    99 100  99  4.5-5.4   4.3/117=78, 176/15=77...(4)
      HG22  ILE    6 + H     PHE    9  OK    91    99  95  97  4.9-5.8   4.2/117=78, 273/52=72, 174/23=39
      HG21  VAL   12 + H     PHE    9  OK    38    97  60  65  4.2-7.2   ~302=53, 185/223=15
      HG22  VAL   12 + H     PHE    9  OK    35    97  55  66  4.1-6.6   ~302=53, 185/223=17
      HG23  VAL   12 + H     PHE    9  OK    25    97  40  65  4.3-6.6   ~302=53, 185/223=15
      HG23  ILE    6 - H     PHE    9  far    0    99   0   -  6.0-6.5
      HD11  LEU    2 - H     PHE    9  far    0    99   0   -  9.1-13.7
    Violated in 0 structures by 0.00 A.
 
    Peak 172 from carmennoesy2.xpk (0.82, 8.19 ppm; 5.24 A increased from 4.93 A):
    1 out of 1 assignment used, quality = 0.79:
      HD2   LYS    8 + H     PHE    9  OK    79    80 100 100  4.5-5.2   3.6/151=89, 181/24=86
    Violated in 1 structures by 0.00 A.
 
    Peak 173 from carmennoesy2.xpk (0.96, 8.06 ppm; 5.49 A increased from 4.63 A):
    3 out of 15 assignments used, quality = 0.93:
      HD13  LEU    2 + H     THR    3  OK    85    97  90  98  4.4-6.0   4.2/143=87, 6.1/16=60...(5)
      HD11  LEU    2 + H     THR    3  OK    33    97  35  98  4.7-6.1   4.2/143=87, 6.0/16=60...(5)
      HD12  LEU    2 + H     THR    3  OK    24    97  25  98  4.3-6.5   4.2/143=87, 6.1/16=60...(5)
      HD11  LEU    2 - H     PHE    5  poor  12    39  30   -  5.1-8.3
      HD13  LEU    2 - H     PHE    5  far    4    39  10   -  5.4-7.7
      HD12  LEU    2 - H     PHE    5  far    0    39   0   -  6.1-7.9
      HG21  ILE    6 - H     PHE    5  far    0    39   0   -  7.0-7.2
      HG23  ILE    6 - H     PHE    5  far    0    39   0   -  7.2-7.7
      HG22  ILE    6 - H     PHE    5  far    0    39   0   -  7.3-7.5
      HG23  ILE    6 - H     THR    3  far    0    97   0   -  8.0-8.8
      HG21  ILE    6 - H     THR    3  far    0    97   0   -  8.3-8.8
      HG22  ILE    6 - H     THR    3  far    0    97   0   -  8.6-9.5
      HG23  VAL   12 - H     PHE    5  far    0    36   0   -  9.2-11.4
      HG22  VAL   12 - H     PHE    5  far    0    36   0   -  9.2-12.0
      HG21  VAL   12 - H     PHE    5  far    0    36   0   -  9.2-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 174 from carmennoesy2.xpk (0.96, 8.03 ppm; 4.82 A increased from 4.28 A):
    2 out of 15 assignments used, quality = 0.96:
      HG22  ILE    6 + H     ARG   10  OK    82    96  95  90  3.9-5.2   273/59=69, 4.2/116=59, 171/23=17
      HG21  ILE    6 + H     ARG   10  OK    79    96 100  83  3.6-4.7   4.3/116=58, 193/26=45, 171/23=18
      HG22  VAL   12 - H     ARG   10  far    5    90   5   -  4.1-7.2
      HG21  VAL   12 - H     ARG   10  far    0    90   0   -  5.1-7.4
      HD11  LEU    2 - H     PHE    5  far    0    88   0   -  5.1-8.3
      HG23  ILE    6 - H     ARG   10  far    0    96   0   -  5.2-6.1
      HG23  VAL   12 - H     ARG   10  far    0    90   0   -  5.3-7.2
      HD13  LEU    2 - H     PHE    5  far    0    88   0   -  5.4-7.7
      HD12  LEU    2 - H     PHE    5  far    0    88   0   -  6.1-7.9
      HG21  ILE    6 - H     PHE    5  far    0    88   0   -  7.0-7.2
      HG23  ILE    6 - H     PHE    5  far    0    88   0   -  7.2-7.7
      HG22  ILE    6 - H     PHE    5  far    0    88   0   -  7.3-7.5
      HG23  VAL   12 - H     PHE    5  far    0    82   0   -  9.2-11.4
      HG22  VAL   12 - H     PHE    5  far    0    82   0   -  9.2-12.0
      HG21  VAL   12 - H     PHE    5  far    0    82   0   -  9.2-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 175 from carmennoesy2.xpk (1.02, 8.06 ppm; 5.50 A increased from 4.87 A):
    3 out of 3 assignments used, quality = 0.95:
      HD22  LEU    2 + H     THR    3  OK    78   100  80  97  3.8-6.2   4.2/143=87, 6.4/12=54...(5)
      HD23  LEU    2 + H     THR    3  OK    68   100  70  98  3.8-6.1   4.2/143=87, 6.0/12=61...(5)
      HD21  LEU    2 + H     THR    3  OK    34   100  35  97  3.9-6.5   4.2/143=87, 6.4/12=55...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 176 from carmennoesy2.xpk (0.96, 7.98 ppm; 3.93 A increased from 3.70 A):
    1 out of 9 assignments used, quality = 0.93:
      HG21  ILE    6 + H     ASN    7  OK    93    97 100  95  3.6-4.0   3.0/140=69, 5.1/18=39...(6)
      HG23  ILE    6 - H     ASN    7  far    0    97   0   -  4.2-5.0
      HG22  ILE    6 - H     ASN    7  far    0    97   0   -  4.6-5.0
      HD11  LEU    2 - H     ASN    7  far    0    97   0   -  7.7-11.2
      HG22  VAL   12 - H     ASN    7  far    0    91   0   -  8.0-10.3
      HG23  VAL   12 - H     ASN    7  far    0    91   0   -  8.1-10.5
      HG21  VAL   12 - H     ASN    7  far    0    91   0   -  8.1-11.3
      HD13  LEU    2 - H     ASN    7  far    0    97   0   -  8.5-10.9
      HD12  LEU    2 - H     ASN    7  far    0    97   0   -  9.2-10.8
    Violated in 3 structures by 0.00 A.
 
    Peak 177 from carmennoesy2.xpk (0.89, 7.97 ppm; 4.85 A):
    0 out of 3 assignments used, quality = 0.00:
      HD13  ILE    6 - H     ASN    7  far    0    99   0   -  5.0-6.3
      HD11  ILE    6 - H     ASN    7  far    0    99   0   -  5.0-6.3
      HD12  ILE    6 - H     ASN    7  far    0    99   0   -  5.1-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 178 from carmennoesy2.xpk (0.91, 7.83 ppm; 4.81 A increased from 4.28 A):
    3 out of 6 assignments used, quality = 0.90:
      HG12  VAL   12 + H     LYS   13  OK    58    64  95  96  3.3-5.1   3.0/159=81, 5.1/43=56...(5)
      HG13  VAL   12 + H     LYS   13  OK    55    64  90  96  3.5-5.0   3.0/159=81, 4.9/43=59...(5)
      HG11  VAL   12 + H     LYS   13  OK    46    64  75  95  3.3-5.1   3.0/159=81, 5.3/43=54...(5)
      HD12  ILE    6 - H     LYS   13  far    0    47   0   -  8.5-12.2
      HD13  ILE    6 - H     LYS   13  far    0    47   0   -  8.7-12.3
      HD11  ILE    6 - H     LYS   13  far    0    47   0   -  8.9-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 179 from carmennoesy2.xpk (0.97, 7.83 ppm; 5.05 A increased from 4.25 A):
    3 out of 6 assignments used, quality = 1.00:
      HG22  VAL   12 + H     LYS   13  OK    93   100  95  98  2.4-5.2   3.0/159=86, 4.7/43=69...(6)
      HG23  VAL   12 + H     LYS   13  OK    92   100  95  98  2.2-5.2   3.0/159=86, 5.1/43=61...(6)
      HG21  VAL   12 + H     LYS   13  OK    88   100  90  98  3.6-5.2   3.0/159=86, 4.9/43=65...(6)
      HG21  ILE    6 - H     LYS   13  far    0    96   0   -  7.9-9.3
      HG22  ILE    6 - H     LYS   13  far    0    96   0   -  8.1-9.1
      HG23  ILE    6 - H     LYS   13  far    0    96   0   -  9.6-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 180 from carmennoesy2.xpk (0.60, 8.19 ppm; 5.24 A):
    1 out of 1 assignment used, quality = 0.99:
      HG2   LYS    8 + H     PHE    9  OK    99    99 100 100  4.2-5.2   3.0/151=96, 182/24=80
    Violated in 1 structures by 0.00 A.
 
    Peak 181 from carmennoesy2.xpk (0.82, 7.64 ppm; 3.95 A increased from 3.72 A):
    1 out of 4 assignments used, quality = 0.67:
      HD2   LYS    8 + H     LYS    8  OK    67    73 100  93  2.5-3.7   3.6/195=65, 3.0/182=51...(4)
      HD11  ILE   11 - H     LYS    8  far    0    41   0   -  4.3-8.0
      HD13  ILE   11 - H     LYS    8  far    0    41   0   -  4.7-8.0
      HD12  ILE   11 - H     LYS    8  far    0    41   0   -  5.4-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 182 from carmennoesy2.xpk (0.60, 7.63 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 0.98:
      HG2   LYS    8 + H     LYS    8  OK    98    98 100 100  2.5-4.4   3.0/195=87, 4.8=76...(4)
    Violated in 1 structures by 0.00 A.
 
    Peak 183 from carmennoesy2.xpk (0.79, 7.56 ppm; 4.67 A increased from 4.40 A):
    3 out of 3 assignments used, quality = 1.00:
      HD13  ILE   11 + H     ILE   11  OK    96    98 100  98  3.5-4.7   3.0/194=76, 4.3/206=70...(7)
      HD12  ILE   11 + H     ILE   11  OK    96    98 100  98  3.4-4.7   3.0/194=77, 4.2/206=70...(7)
      HD11  ILE   11 + H     ILE   11  OK    92    98  95  98  3.5-4.8   3.0/194=76, 4.2/206=70...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 184 from carmennoesy2.xpk (0.87, 7.56 ppm; 4.84 A increased from 3.87 A):
    3 out of 6 assignments used, quality = 1.00:
      HG21  ILE   11 + H     ILE   11  OK   100   100 100 100  4.4-4.7   3.0/206=92, 5.2=82...(7)
      HG22  ILE   11 + H     ILE   11  OK   100   100 100 100  4.4-4.7   3.0/206=92, 5.3=77...(7)
      HG23  ILE   11 + H     ILE   11  OK    99   100 100 100  4.4-4.7   3.0/206=92, 5.3=76...(7)
      HD12  ILE    6 - H     ILE   11  far    0    37   0   -  7.5-10.9
      HD13  ILE    6 - H     ILE   11  far    0    37   0   -  7.7-10.9
      HD11  ILE    6 - H     ILE   11  far    0    37   0   -  7.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 185 from carmennoesy2.xpk (0.97, 7.56 ppm; 5.50 A increased from 4.97 A):
    3 out of 6 assignments used, quality = 0.96:
      HG22  VAL   12 + H     ILE   11  OK    72   100  75  96  3.7-6.5   4.7/31=78, 3.0/207=70...(4)
      HG21  VAL   12 + H     ILE   11  OK    62   100  65  95  4.4-6.4   4.9/31=75, 3.0/207=70...(4)
      HG23  VAL   12 + H     ILE   11  OK    61   100  65  94  4.2-6.3   5.1/31=71, 3.0/207=70...(4)
      HG21  ILE    6 - H     ILE   11  far    0    98   0   -  5.8-6.9
      HG22  ILE    6 - H     ILE   11  far    0    98   0   -  6.5-7.9
      HG23  ILE    6 - H     ILE   11  far    0    98   0   -  7.5-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 186 from carmennoesy2.xpk (0.80, 7.70 ppm; 5.50 A increased from 5.33 A):
    3 out of 3 assignments used, quality = 0.72:
      HD13  ILE   11 + H     VAL   12  OK    44   100  45  99  4.8-6.3   4.3/209=81, 3.0/198=70...(6)
      HD11  ILE   11 + H     VAL   12  OK    30   100  30  99  4.9-6.3   4.2/209=81, 3.0/198=70...(6)
      HD12  ILE   11 + H     VAL   12  OK    30   100  30  99  5.1-6.3   4.2/209=81, 3.0/198=70...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 187 from carmennoesy2.xpk (0.97, 7.70 ppm; 3.81 A increased from 3.21 A):
    3 out of 6 assignments used, quality = 1.00:
      HG22  VAL   12 + H     VAL   12  OK    91   100 100  91  2.0-3.9   3.0/210=63, 4.7=55...(7)
      HG21  VAL   12 + H     VAL   12  OK    89   100 100  89  2.4-3.9   3.0/210=63, 4.9=47...(7)
      HG23  VAL   12 + H     VAL   12  OK    88   100 100  88  2.2-3.8   3.0/210=63, 5.1=41...(7)
      HG21  ILE    6 - H     VAL   12  far    0    98   0   -  7.7-8.9
      HG22  ILE    6 - H     VAL   12  far    0    98   0   -  8.1-9.2
      HG23  ILE    6 - H     VAL   12  far    0    98   0   -  9.4-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 188 from carmennoesy2.xpk (0.91, 7.70 ppm; 4.84 A increased from 3.88 A):
    3 out of 6 assignments used, quality = 0.97:
      HG13  VAL   12 + H     VAL   12  OK    68    68 100 100  4.4-4.7   4.9=95, 3.0/210=88...(6)
      HG12  VAL   12 + H     VAL   12  OK    67    68 100  99  4.4-4.7   3.0/210=88, 5.1=84...(6)
      HG11  VAL   12 + H     VAL   12  OK    67    68 100  99  4.4-4.7   3.0/210=88, 5.3=77...(6)
      HD12  ILE    6 - H     VAL   12  far    0    51   0   -  8.4-12.2
      HD13  ILE    6 - H     VAL   12  far    0    51   0   -  8.8-12.4
      HD11  ILE    6 - H     VAL   12  far    0    51   0   -  8.9-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 189 from carmennoesy2.xpk (0.88, 7.70 ppm; 4.91 A increased from 3.93 A):
    3 out of 6 assignments used, quality = 1.00:
      HG22  ILE   11 + H     VAL   12  OK    97    99 100  98  3.7-4.9   3.0/209=87, 5.3/31=57...(6)
      HG23  ILE   11 + H     VAL   12  OK    97    99 100  98  3.8-5.0   3.0/209=87, 5.3/31=56...(6)
      HG21  ILE   11 + H     VAL   12  OK    78    99  80  98  3.4-5.1   3.0/209=87, 5.2/31=58...(6)
      HD12  ILE    6 - H     VAL   12  far    0    42   0   -  8.4-12.2
      HD13  ILE    6 - H     VAL   12  far    0    42   0   -  8.8-12.4
      HD11  ILE    6 - H     VAL   12  far    0    42   0   -  8.9-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 190 from carmennoesy2.xpk (0.81, 7.45 ppm; 5.50 A):
    2 out of 11 assignments used, quality = 0.60:
      HD2   LYS    8 + HZ2   TRP    4  OK    44    56  80  99  4.7-5.8   ~267=55, ~6=53, ~7=51...(7)
      HD2   LYS    8 + HE3   TRP    4  OK    29    45  70  90  2.3-6.4   3.6/197=67, 3.0/191=33...(4)
      HD11  ILE   11 - HE3   TRP    4  far    5    47  10   -  4.4-12.5
      HD13  ILE   11 - HE3   TRP    4  far    5    47  10   -  5.0-12.5
      HD12  ILE   11 - HE3   TRP    4  far    0    47   0   -  5.9-12.5
      HD13  ILE   11 - HZ2   TRP    4  far    0    58   0   -  6.6-11.6
      HD11  ILE   11 - HZ2   TRP    4  far    0    58   0   -  6.6-12.0
      HD12  ILE   11 - HZ2   TRP    4  far    0    58   0   -  6.8-12.5
      HD12  ILE   11 - HH12  ARG   10  far    0    58   0   -  9.2-12.8
      HD11  ILE   11 - HH12  ARG   10  far    0    58   0   -  9.3-13.0
      HD13  ILE   11 - HH12  ARG   10  far    0    58   0   -  9.7-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 191 from carmennoesy2.xpk (0.60, 7.45 ppm; 5.50 A):
    2 out of 2 assignments used, quality = 0.93:
      HG2   LYS    8 + HZ2   TRP    4  OK    77    96 100  80  4.1-5.5   3.0/190=43, 3.6/225=39
      HG2   LYS    8 + HE3   TRP    4  OK    69    80  90  96  2.6-5.7   3.0/197=73, ~297=54...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 192 from carmennoesy2.xpk (1.10, 7.45 ppm; 4.68 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 193 from carmennoesy2.xpk (0.96, 7.63 ppm; 5.50 A):
    1 out of 8 assignments used, quality = 0.99:
      HG21  ILE    6 + H     LYS    8  OK    99    99 100 100  5.1-5.5   176/28=91, 3.0/208=68...(6)
      HG22  VAL   12 - H     LYS    8  poor  19    94  20   -  5.5-7.8
      HG21  VAL   12 - H     LYS    8  far    0    94   0   -  5.6-8.8
      HG23  VAL   12 - H     LYS    8  far    0    94   0   -  5.6-8.0
      HG22  ILE    6 - H     LYS    8  far    0    99   0   -  5.7-6.4
      HG23  ILE    6 - H     LYS    8  far    0    99   0   -  6.0-6.8
      HD11  LEU    2 - H     LYS    8  far    0    99   0   -  9.0-13.0
      HD13  LEU    2 - H     LYS    8  far    0    99   0   -  9.9-12.5
    Violated in 1 structures by 0.00 A.
 
    Peak 194 from carmennoesy2.xpk (1.18, 7.56 ppm; 3.98 A):
    1 out of 1 assignment used, quality = 0.98:
      HG12  ILE   11 + H     ILE   11  OK    98   100 100  98  2.0-3.5   3.0/206=73, 4.5=68...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 195 from carmennoesy2.xpk (1.30, 7.63 ppm; 3.01 A):
    1 out of 4 assignments used, quality = 0.80:
      HB2   LYS    8 + H     LYS    8  OK    80    93 100  86  2.2-2.5   3.9=44, 151/24=40...(5)
      HG21  THR    3 - H     LYS    8  far    0    80   0   -  6.7-8.8
      HG22  THR    3 - H     LYS    8  far    0    80   0   -  6.7-8.8
      HG23  THR    3 - H     LYS    8  far    0    80   0   -  6.9-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 196 from carmennoesy2.xpk (1.22, 7.45 ppm; 5.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 197 from carmennoesy2.xpk (1.31, 7.45 ppm; 5.32 A):
    1 out of 8 assignments used, quality = 0.73:
      HB2   LYS    8 + HE3   TRP    4  OK    73    76 100  95  3.3-4.7   297/2.5=83, 3.0/191=31...(5)
      HG21  THR    3 - HE3   TRP    4  far    8    75  10   -  5.4-8.8
      HG23  THR    3 - HE3   TRP    4  far    4    75   5   -  5.4-8.9
      HB2   LYS    8 - HZ2   TRP    4  far    0    98   0   -  5.7-7.7
      HG22  THR    3 - HE3   TRP    4  far    0    75   0   -  6.7-8.8
      HG23  THR    3 - HZ2   TRP    4  far    0    97   0   -  7.0-10.9
      HG21  THR    3 - HZ2   TRP    4  far    0    97   0   -  7.0-10.7
      HG22  THR    3 - HZ2   TRP    4  far    0    97   0   -  8.2-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 198 from carmennoesy2.xpk (1.18, 7.70 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.97:
      HG12  ILE   11 + H     VAL   12  OK    97    97 100 100  4.1-5.1   3.0/209=95, 194/31=87...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 199 from carmennoesy2.xpk (1.59, 7.70 ppm; 5.00 A):
    1 out of 1 assignment used, quality = 0.51:
      HD2   LYS   13 + H     VAL   12  OK    51    69 100  74  4.0-5.0   211/27=47, 6.1/43=46
    Violated in 0 structures by 0.00 A.
 
    Peak 200 from carmennoesy2.xpk (1.59, 7.56 ppm; 3.64 A):
    0 out of 1 assignment used, quality = 0.00:
      HD2   LYS   13 - H     ILE   11  far    0    75   0   -  5.5-6.4
    Violated in 20 structures by 2.20 A.
 
    Peak 201 from carmennoesy2.xpk (1.69, 7.56 ppm; 5.19 A):
    1 out of 1 assignment used, quality = 0.81:
      HG2   ARG   10 + H     ILE   11  OK    81   100 100  81  4.0-5.1   142/25=79
    Violated in 0 structures by 0.00 A.
 
    Peak 202 from carmennoesy2.xpk (1.22, 7.63 ppm; 4.26 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 203 from carmennoesy2.xpk (1.27, 7.43 ppm; 5.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 204 from carmennoesy2.xpk (1.31, 7.47 ppm; 4.79 A):
    1 out of 8 assignments used, quality = 0.62:
      HB2   LYS    8 + HE3   TRP    4  OK    62    77 100  81  3.3-4.7   297/2.5=71, 3.0/191=11...(5)
      HG23  THR    3 - HE3   TRP    4  far    0    82   0   -  5.4-8.9
      HG21  THR    3 - HE3   TRP    4  far    0    82   0   -  5.4-8.8
      HB2   LYS    8 - HZ2   TRP    4  far    0    46   0   -  5.7-7.7
      HG22  THR    3 - HE3   TRP    4  far    0    82   0   -  6.7-8.8
      HG23  THR    3 - HZ2   TRP    4  far    0    49   0   -  7.0-10.9
      HG21  THR    3 - HZ2   TRP    4  far    0    49   0   -  7.0-10.7
      HG22  THR    3 - HZ2   TRP    4  far    0    49   0   -  8.2-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 205 from carmennoesy2.xpk (1.57, 7.43 ppm; 5.10 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 206 from carmennoesy2.xpk (1.93, 7.56 ppm; 3.16 A):
    1 out of 3 assignments used, quality = 0.89:
      HB    ILE   11 + H     ILE   11  OK    89   100 100  89  2.5-2.6   3.9=55, 209/31=37...(9)
      HB2   LYS   13 - H     ILE   11  far    0    44   0   -  4.8-5.6
      HB    ILE    6 - H     ILE   11  far    0   100   0   -  7.5-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 207 from carmennoesy2.xpk (2.04, 7.56 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.97:
      HB    VAL   12 + H     ILE   11  OK    97    97 100 100  4.8-5.2   210/31=93, 159/42=73...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 208 from carmennoesy2.xpk (1.93, 7.63 ppm; 5.34 A increased from 4.75 A):
    1 out of 3 assignments used, quality = 1.00:
      HB    ILE    6 + H     LYS    8  OK   100   100 100 100  4.9-5.1   140/28=95, 3.0/114=79...(4)
      HB    ILE   11 - H     LYS    8  lone   6   100  50  11  5.3-5.7
      HB2   LYS   13 - H     LYS    8  far    0    41   0   -  8.4-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 209 from carmennoesy2.xpk (1.94, 7.70 ppm; 3.65 A):
    1 out of 3 assignments used, quality = 0.91:
      HB    ILE   11 + H     VAL   12  OK    91    98 100  93  2.3-2.8   206/31=57, 4.4=57...(9)
      HB2   LYS   13 - H     VAL   12  far    0    57   0   -  4.3-4.6
      HB    ILE    6 - H     VAL   12  far    0    98   0   -  9.3-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 210 from carmennoesy2.xpk (2.04, 7.70 ppm; 3.43 A):
    1 out of 1 assignment used, quality = 0.96:
      HB    VAL   12 + H     VAL   12  OK    96   100 100  96  2.5-2.6   3.9=69, 159/43=41...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 211 from carmennoesy2.xpk (1.59, 8.03 ppm; 5.45 A):
    1 out of 1 assignment used, quality = 0.56:
      HD2   LYS   13 + H     ARG   10  OK    56    74 100  77  4.6-5.4   199/27=61, 271/59=31
    Violated in 1 structures by 0.00 A.
 
    Peak 212 from carmennoesy2.xpk (2.63, 8.03 ppm; 5.50 A increased from 5.42 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   ASN    7 - H     PHE    5  lone   3    67  35  12  5.1-6.2
      HB3   ASN    7 - H     ARG   10  far    0    96   0   -  5.8-6.4
    Violated in 2 structures by 0.00 A.
 
    Peak 213 from carmennoesy2.xpk (3.23, 7.90 ppm; 4.71 A):
    1 out of 1 assignment used, quality = 0.88:
      HB3   PHE    5 + H     TRP    4  OK    88   100 100  88  4.3-4.7   122/21=84, 4.2/221=18
    Violated in 0 structures by 0.00 A.
 
    Peak 214 from carmennoesy2.xpk (3.15, 7.56 ppm; 5.38 A):
    1 out of 1 assignment used, quality = 0.52:
      HB3   PHE    9 + H     ILE   11  OK    52    56  95  98  4.9-5.5   4.4/25=80, 3.0/106=75
    Violated in 3 structures by 0.01 A.
 
    Peak 215 from carmennoesy2.xpk (7.05, 7.90 ppm; 4.41 A):
    0 out of 2 assignments used, quality = 0.00:
      HH2   TRP    4 - H     TRP    4  far    0    96   0   -  8.3-9.0
      HE1   PHE    9 - H     TRP    4  far    0    82   0   -  8.8-9.5
    Violated in 20 structures by 3.63 A.
 
    Peak 216 from carmennoesy2.xpk (7.46, 7.98 ppm; 4.73 A):
    0 out of 3 assignments used, quality = 0.00:
      HE3   TRP    4 - H     ASN    7  poor  20    99  20   -  3.8-6.8
      HZ2   TRP    4 - H     ASN    7  far    0    80   0   -  8.4-9.3
      HH12  ARG   10 - H     ASN    7  far    0    84   0   -  9.2-10.4
    Violated in 16 structures by 1.23 A.
 
    Peak 217 from carmennoesy2.xpk (7.28, 7.97 ppm; 4.73 A):
    0 out of 3 assignments used, quality = 0.00:
      HD1   TRP    4 - H     ASN    7  far    0    71   0   -  6.0-7.6
      HD2   PHE    5 - H     ASN    7  far    0    85   0   -  6.2-7.1
      HD1   PHE    5 - H     ASN    7  far    0    88   0   -  6.4-7.0
    Violated in 20 structures by 0.80 A.
 
    Peak 218 from carmennoesy2.xpk (8.03, 7.70 ppm; 5.22 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG   10 + H     VAL   12  OK    99    99 100 100  3.9-4.3   27=99, 25/31=90...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 219 from carmennoesy2.xpk (8.03, 7.64 ppm; 4.56 A):
    1 out of 2 assignments used, quality = 0.99:
      H     ARG   10 + H     LYS    8  OK    99    99 100 100  3.8-4.2   26=100, 23/24=83...(6)
      H     PHE    5 - H     LYS    8  far    0    75   0   -  4.7-4.9
    Violated in 0 structures by 0.00 A.
 
    Peak 220 from carmennoesy2.xpk (8.37, 7.63 ppm; 4.97 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ILE    6 + H     LYS    8  OK    99    99 100 100  4.1-4.3   18/28=92, 3.6/107=76...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 221 from carmennoesy2.xpk (8.39, 7.90 ppm; 4.83 A):
    2 out of 2 assignments used, quality = 0.81:
      H     LEU    2 + H     TRP    4  OK    70    71 100  99  3.7-4.1   12/20=76, 3.6/88=60...(8)
      H     ILE    6 + H     TRP    4  OK    38    47  85  94  4.6-5.0   4.6/21=68, 4.2/213=54...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 222 from carmennoesy2.xpk (8.19, 7.98 ppm; 4.56 A):
    1 out of 1 assignment used, quality = 1.00:
      H     PHE    9 + H     ASN    7  OK   100   100 100 100  4.0-4.2   15=99, 24/28=84...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 223 from carmennoesy2.xpk (8.19, 7.56 ppm; 5.42 A):
    1 out of 1 assignment used, quality = 0.96:
      H     PHE    9 + H     ILE   11  OK    96    96 100 100  4.1-4.5   23/25=95, 3.0/106=77...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 224 from carmennoesy2.xpk (7.83, 7.56 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LYS   13 + H     ILE   11  OK   100   100 100 100  4.0-4.6   42=100, 43/31=94...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 225 from carmennoesy2.xpk (2.45, 7.45 ppm; 5.50 A):
    2 out of 2 assignments used, quality = 0.95:
      HE2   LYS    8 + HZ2   TRP    4  OK    88    88 100 100  2.9-4.6   6/2.8=89, 266/2.5=81...(8)
      HE2   LYS    8 + HE3   TRP    4  OK    56    67  85  99  3.7-5.7   266/4.3=62, 240/5.1=61...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 226 from carmennoesy2.xpk (2.66, 7.45 ppm; 5.50 A):
    2 out of 2 assignments used, quality = 0.93:
      HE3   LYS    8 + HZ2   TRP    4  OK    81    81 100 100  2.3-3.9   267/2.5=89, 7/2.8=83...(8)
      HE3   LYS    8 + HE3   TRP    4  OK    62    66  95  99  3.2-5.6   267/4.3=68, 4.8/197=55...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 227 from carmennoesy2.xpk (2.63, 7.46 ppm; 4.79 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   ASN    7 - HE3   TRP    4  poor  19    96  20   -  2.3-7.4
      HB3   ASN    7 - HZ2   TRP    4  far    0    73   0   -  5.6-8.6
    Violated in 16 structures by 1.07 A.
 
    Peak 228 from carmennoesy2.xpk (2.81, 7.46 ppm; 4.43 A):
    0 out of 4 assignments used, quality = 0.00:
      HB2   ASN    7 - HE3   TRP    4  poor  20   100  20   -  2.5-7.0
      HB2   PHE    9 - HH12  ARG   10  far    0    42   0   -  6.1-7.2
      HB2   ASN    7 - HZ2   TRP    4  far    0    81   0   -  6.4-8.4
      HB2   PHE    9 - HE3   TRP    4  far    0    49   0   -  6.8-8.4
    Violated in 16 structures by 0.87 A.
 
    Peak 229 from carmennoesy2.xpk (2.94, 7.42 ppm; 4.81 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 230 from carmennoesy2.xpk (4.57, 7.42 ppm; 2.90 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 231 from carmennoesy2.xpk (3.44, 7.27 ppm; 4.02 A increased from 3.39 A):
    1 out of 3 assignments used, quality = 0.99:
      HB2   TRP    4 + HD1   TRP    4  OK    99    99 100 100  3.4-3.9   3.9=100
      HB2   TRP    4 - HD2   PHE    5  poor  11    42  25   -  3.2-5.5
      HB2   TRP    4 - HD1   PHE    5  far    0    46   0   -  5.9-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 232 from carmennoesy2.xpk (2.45, 7.27 ppm; 4.59 A increased from 3.87 A):
    1 out of 1 assignment used, quality = 0.87:
      HE2   LYS    8 + HD1   TRP    4  OK    87    92 100  95  3.8-4.4   6/2.6=74, ~7=48...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 233 from carmennoesy2.xpk (2.67, 7.26 ppm; 3.77 A):
    0 out of 1 assignment used, quality = 0.00:
      HE3   LYS    8 - HD1   TRP    4  far    0    79   0   -  5.2-5.5
    Violated in 20 structures by 1.64 A.
 
    Peak 234 from carmennoesy2.xpk (1.22, 7.28 ppm; 4.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 235 from carmennoesy2.xpk (1.30, 7.28 ppm; 4.28 A):
    0 out of 12 assignments used, quality = 0.00:
      HG23  THR    3 - HD1   TRP    4  poor  18    61  30   -  3.9-6.0
      HG22  THR    3 - HD1   TRP    4  poor  12    61  20   -  3.9-5.8
      HG21  THR    3 - HD1   TRP    4  lone   4    61  35  18  3.8-5.8   155/36=13
      HB2   LYS    8 - HD1   PHE    5  far    0    85   0   -  4.8-6.7
      HB2   LYS    8 - HD1   TRP    4  far    0    69   0   -  6.0-7.4
      HB2   LYS    8 - HD2   PHE    5  far    0    82   0   -  6.2-7.8
      HG21  THR    3 - HD2   PHE    5  far    0    72   0   -  6.3-8.3
      HG22  THR    3 - HD2   PHE    5  far    0    72   0   -  6.3-8.7
      HG23  THR    3 - HD2   PHE    5  far    0    72   0   -  6.5-8.8
      HG21  THR    3 - HD1   PHE    5  far    0    75   0   -  9.4-11.4
      HG23  THR    3 - HD1   PHE    5  far    0    75   0   -  9.4-11.3
      HG22  THR    3 - HD1   PHE    5  far    0    75   0   -  9.5-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 236 from carmennoesy2.xpk (0.97, 7.29 ppm; 5.49 A):
    3 out of 19 assignments used, quality = 0.88:
      HD13  LEU    2 + HD2   PHE    5  OK    60    99  85  71  3.5-6.6   5.4/251=36, 4.2/237=20...(4)
      HD11  LEU    2 + HD2   PHE    5  OK    54    99  75  73  3.1-6.8   4.8/251=41, 4.3/237=20...(4)
      HD12  LEU    2 + HD2   PHE    5  OK    36    99  50  72  4.5-6.6   5.0/251=39, 4.2/237=20...(4)
      HD11  LEU    2 - HD1   PHE    5  far    0    98   0   -  5.8-10.9
      HD13  LEU    2 - HD1   PHE    5  far    0    98   0   -  6.9-10.4
      HG23  VAL   12 - HD1   PHE    5  far    0    99   0   -  7.0-10.4
      HG21  VAL   12 - HD1   PHE    5  far    0    99   0   -  7.2-9.8
      HG22  VAL   12 - HD1   PHE    5  far    0    99   0   -  7.2-10.2
      HD12  LEU    2 - HD1   PHE    5  far    0    98   0   -  7.3-10.5
      HG22  ILE    6 - HD1   PHE    5  far    0    98   0   -  7.5-7.9
      HG21  ILE    6 - HD1   PHE    5  far    0    98   0   -  7.9-8.6
      HG23  ILE    6 - HD1   PHE    5  far    0    98   0   -  8.4-8.9
      HG22  ILE    6 - HD2   PHE    5  far    0    99   0   -  9.0-9.3
      HG21  ILE    6 - HD2   PHE    5  far    0    99   0   -  9.1-9.4
      HG23  ILE    6 - HD2   PHE    5  far    0    99   0   -  9.2-9.5
      HG21  ILE    6 - HD1   TRP    4  far    0    38   0   -  9.6-11.4
      HD13  LEU    2 - HD1   TRP    4  far    0    38   0   -  9.7-11.4
      HD12  LEU    2 - HD1   TRP    4  far    0    38   0   -  9.7-12.2
      HD11  LEU    2 - HD1   TRP    4  far    0    38   0   -  9.8-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 237 from carmennoesy2.xpk (1.02, 7.29 ppm; 5.50 A):
    3 out of 9 assignments used, quality = 0.73:
      HD23  LEU    2 + HD2   PHE    5  OK    37   100  50  73  3.4-7.1   4.7/251=42, 4.2/236=23...(4)
      HD21  LEU    2 + HD2   PHE    5  OK    36   100  50  73  4.0-6.7   4.9/251=40, 4.2/236=23...(4)
      HD22  LEU    2 + HD2   PHE    5  OK    32   100  45  72  3.0-6.7   5.3/251=38, 4.2/236=23...(4)
      HD21  LEU    2 - HD1   PHE    5  far    5   100   5   -  5.6-10.7
      HD23  LEU    2 - HD1   PHE    5  far    0   100   0   -  5.8-10.9
      HD22  LEU    2 - HD1   PHE    5  far    0   100   0   -  6.4-10.0
      HD22  LEU    2 - HD1   TRP    4  far    0    41   0   -  9.5-12.1
      HD23  LEU    2 - HD1   TRP    4  far    0    41   0   -  9.7-12.4
      HD21  LEU    2 - HD1   TRP    4  far    0    41   0   -  9.8-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 238 from carmennoesy2.xpk (1.23, 7.27 ppm; 3.87 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 239 from carmennoesy2.xpk (2.67, 7.28 ppm; 5.50 A increased from 4.55 A):
    1 out of 3 assignments used, quality = 0.51:
      HE3   LYS    8 + HD1   TRP    4  OK    51    51 100 100  5.2-5.5   1.8/240=98, 7/2.6=87...(6)
      HE3   LYS    8 - HD2   PHE    5  far    0    83   0   -  7.9-10.9
      HE3   LYS    8 - HD1   PHE    5  far    0    85   0   -  7.9-10.1
    Violated in 3 structures by 0.00 A.
 
    Peak 240 from carmennoesy2.xpk (2.45, 7.28 ppm; 4.41 A):
    1 out of 3 assignments used, quality = 0.55:
      HE2   LYS    8 + HD1   TRP    4  OK    55    57 100  96  3.8-4.4   6/2.6=69, 1.8/239=51...(6)
      HE2   LYS    8 - HD2   PHE    5  far    0    88   0   -  7.7-10.6
      HE2   LYS    8 - HD1   PHE    5  far    0    90   0   -  8.0-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 241 from carmennoesy2.xpk (3.31, 7.27 ppm; 2.98 A):
    1 out of 4 assignments used, quality = 0.68:
      HB3   TRP    4 + HD1   TRP    4  OK    68    99 100  68  2.6-2.9   3.9=45, 120/36=27, 5/2.6=21
      HB3   TRP    4 - HD2   PHE    5  far    0    42   0   -  4.6-6.3
      HB3   TRP    4 - HD1   PHE    5  far    0    46   0   -  7.3-8.4
      HB2   PHE    5 - HD1   TRP    4  far    0    38   0   -  8.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 242 from carmennoesy2.xpk (3.28, 7.29 ppm; 4.38 A):
    2 out of 3 assignments used, quality = 1.00:
      HB2   PHE    5 + HD1   PHE    5  OK    99    99 100 100  2.3-2.8   3.7=100
      HB2   PHE    5 + HD2   PHE    5  OK    98    98 100 100  3.4-3.7   3.7=100
      HB2   PHE    5 - HD1   TRP    4  far    0    44   0   -  8.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 243 from carmennoesy2.xpk (3.23, 7.29 ppm; 4.46 A):
    2 out of 3 assignments used, quality = 1.00:
      HB3   PHE    5 + HD2   PHE    5  OK   100   100 100 100  2.3-2.6   3.7=100
      HB3   PHE    5 + HD1   PHE    5  OK   100   100 100 100  3.5-3.7   3.7=100
      HB3   PHE    5 - HD1   TRP    4  far    0    42   0   -  7.8-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 244 from carmennoesy2.xpk (3.62, 7.29 ppm; 5.50 A):
    1 out of 3 assignments used, quality = 0.43:
      HA    ILE    6 + HD1   PHE    5  OK    43   100 100  43  5.3-5.5   3.0/60=35
      HA    ILE    6 - HD2   PHE    5  far    0   100   0   -  7.0-7.2
      HA    ILE    6 - HD1   TRP    4  far    0    40   0   -  9.3-10.5
    Violated in 3 structures by 0.00 A.
 
    Peak 245 from carmennoesy2.xpk (3.89, 7.29 ppm; 4.35 A):
    2 out of 6 assignments used, quality = 1.00:
      HA    PHE    5 + HD2   PHE    5  OK   100   100 100 100  3.2-4.2   4.2=100
      HA    PHE    5 + HD1   PHE    5  OK    99    99 100 100  2.3-3.6   4.4=99, 283/47=49...(4)
      HA2   GLY    1 - HD2   PHE    5  far    6    40  15   -  4.2-5.9
      HA    PHE    5 - HD1   TRP    4  far    0    40   0   -  6.9-7.3
      HA2   GLY    1 - HD1   PHE    5  far    0    40   0   -  7.5-10.1
      HA    ARG   10 - HD1   PHE    5  far    0    65   0   -  9.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 246 from carmennoesy2.xpk (3.88, 7.17 ppm; 4.32 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 247 from carmennoesy2.xpk (3.89, 7.23 ppm; 4.81 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 248 from carmennoesy2.xpk (4.16, 7.27 ppm; 3.22 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 249 from carmennoesy2.xpk (3.89, 7.27 ppm; 4.33 A):
    2 out of 7 assignments used, quality = 0.82:
      HA    PHE    5 + HD1   PHE    5  OK    59    59 100  99  2.3-3.6   4.4=97, 283/47=45...(4)
      HA    PHE    5 + HD2   PHE    5  OK    55    55 100 100  3.2-4.2   4.2=100
      HA2   GLY    1 - HD2   PHE    5  far    2    25  10   -  4.2-5.9
      HA2   GLY    1 - HD1   TRP    4  far    0    43   0   -  4.8-8.1
      HA    PHE    5 - HD1   TRP    4  far    0    96   0   -  6.9-7.3
      HA2   GLY    1 - HD1   PHE    5  far    0    27   0   -  7.5-10.1
      HA    ARG   10 - HD1   PHE    5  far    0    37   0   -  9.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 250 from carmennoesy2.xpk (4.04, 7.18 ppm; 3.98 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 251 from carmennoesy2.xpk (4.35, 7.29 ppm; 4.83 A):
    2 out of 8 assignments used, quality = 0.77:
      HA    LEU    2 + HD2   PHE    5  OK    67    99 100  67  2.2-3.5   4.8/236=15, 4.7/237=14...(8)
      HA    TRP    4 + HD1   TRP    4  OK    31    31 100 100  2.7-4.4   4.5=100
      HA    TRP    4 - HD2   PHE    5  far    0    70   0   -  5.5-7.0
      HA    LEU    2 - HD1   PHE    5  far    0   100   0   -  5.9-6.7
      HA    TRP    4 - HD1   PHE    5  far    0    70   0   -  7.1-8.2
      HA    LEU    2 - HD1   TRP    4  far    0    45   0   -  7.8-8.4
      HA    ASN    7 - HD1   PHE    5  far    0    41   0   -  8.7-9.3
      HA    ASN    7 - HD2   PHE    5  far    0    40   0   -  8.9-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 252 from carmennoesy2.xpk (4.57, 7.26 ppm; 2.77 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 253 from carmennoesy2.xpk (6.63, 7.03 ppm; 3.78 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 254 from carmennoesy2.xpk (4.57, 7.06 ppm; 3.80 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 255 from carmennoesy2.xpk (3.89, 7.22 ppm; 4.70 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 256 from carmennoesy2.xpk (3.45, 7.29 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 0.85:
      HB2   TRP    4 + HD2   PHE    5  OK    85    98 100  86  3.2-5.5   118/37=84
      HB2   TRP    4 - HD1   PHE    5  far    0    97   0   -  5.9-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 257 from carmennoesy2.xpk (3.14, 7.18 ppm; 4.01 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 258 from carmennoesy2.xpk (3.62, 7.17 ppm; 4.72 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 259 from carmennoesy2.xpk (3.23, 7.23 ppm; 4.81 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 260 from carmennoesy2.xpk (3.22, 7.22 ppm; 4.84 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 261 from carmennoesy2.xpk (3.28, 7.23 ppm; 5.23 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 262 from carmennoesy2.xpk (3.28, 7.22 ppm; 5.01 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 263 from carmennoesy2.xpk (2.93, 7.18 ppm; 4.66 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 264 from carmennoesy2.xpk (2.80, 7.04 ppm; 3.51 A):
    1 out of 6 assignments used, quality = 0.74:
      HB2   PHE    9 + HE    ARG   10  OK    74    83 100  90  2.8-3.5   1.8/290=74, 132/59=38, 133/52=34
      HB2   PHE    9 - HE1   PHE    9  far    0   100   0   -  4.6-4.8
      HB2   ASN    7 - HH2   TRP    4  far    0    48   0   -  5.6-9.4
      HB2   ASN    7 - HE    ARG   10  far    0    43   0   -  7.5-8.3
      HB2   ASN    7 - HE1   PHE    9  far    0    52   0   -  8.9-9.7
      HB2   PHE    9 - HH2   TRP    4  far    0    93   0   - 10.0-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 265 from carmennoesy2.xpk (2.80, 7.18 ppm; 4.04 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 266 from carmennoesy2.xpk (2.45, 7.04 ppm; 5.18 A increased from 4.60 A):
    1 out of 2 assignments used, quality = 0.80:
      HE2   LYS    8 + HH2   TRP    4  OK    80    80 100  99  4.4-4.9   1.8/267=91, 6/5.0=57...(7)
      HE2   LYS    8 - HE1   PHE    9  far    0    80   0   -  9.4-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 267 from carmennoesy2.xpk (2.67, 7.04 ppm; 4.67 A):
    1 out of 2 assignments used, quality = 0.78:
      HE3   LYS    8 + HH2   TRP    4  OK    78    82 100  96  3.1-3.7   1.8/266=66, 7/5.0=43...(7)
      HE3   LYS    8 - HE1   PHE    9  far    0    79   0   -  9.1-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 268 from carmennoesy2.xpk (1.95, 7.03 ppm; 4.40 A increased from 3.71 A):
    1 out of 7 assignments used, quality = 0.60:
      HB2   LYS   13 + HE    ARG   10  OK    60    94 100  64  3.9-4.4   4.0/29=38, 3.7/271=37
      HB    ILE    6 - HE    ARG   10  far    0    66   0   -  5.5-6.4
      HB    ILE   11 - HH2   TRP    4  far    0    39   0   -  6.7-9.5
      HB    ILE   11 - HE    ARG   10  far    0    66   0   -  7.0-7.4
      HB    ILE    6 - HE1   PHE    9  far    0    52   0   -  7.3-8.1
      HB2   LYS   13 - HE1   PHE    9  far    0    75   0   -  8.8-10.0
      HB    ILE   11 - HE1   PHE    9  far    0    52   0   -  9.4-10.7
    Violated in 1 structures by 0.00 A.
 
    Peak 269 from carmennoesy2.xpk (1.90, 7.03 ppm; 4.12 A increased from 3.88 A):
    1 out of 3 assignments used, quality = 0.55:
      HB2   ARG   10 + HE    ARG   10  OK    55    57 100  96  3.3-4.0   3.0/284=67, 139/59=60...(4)
      HB2   ARG   10 - HH2   TRP    4  far    0    35   0   -  8.9-12.5
      HB2   ARG   10 - HE1   PHE    9  far    0    46   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 270 from carmennoesy2.xpk (1.69, 7.03 ppm; 3.61 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   ARG   10 + HE    ARG   10  OK   100   100 100 100  2.2-3.3   3.5=100
      HG2   ARG   10 - HE1   PHE    9  far    0    82   0   -  8.3-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 271 from carmennoesy2.xpk (1.58, 7.04 ppm; 5.07 A increased from 4.51 A):
    1 out of 2 assignments used, quality = 0.62:
      HD2   LYS   13 + HE    ARG   10  OK    62    72 100  86  3.7-5.1   3.7/268=56, 160/29=53, 211/59=25
      HD2   LYS   13 - HE1   PHE    9  far    0    92   0   -  7.0-8.3
    Violated in 2 structures by 0.00 A.
 
    Peak 272 from carmennoesy2.xpk (1.58, 7.00 ppm; 4.70 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 273 from carmennoesy2.xpk (0.97, 7.04 ppm; 3.86 A):
    1 out of 18 assignments used, quality = 0.50:
      HG22  ILE    6 + HE    ARG   10  OK    50    93 100  54  3.1-3.9   4.2/282=36, 174/59=18, 171/52=8
      HG21  ILE    6 - HE    ARG   10  far    9    93  10   -  2.9-4.7
      HG23  ILE    6 - HE    ARG   10  far    0    93   0   -  4.5-5.5
      HG22  VAL   12 - HE    ARG   10  far    0    91   0   -  5.3-8.7
      HG23  VAL   12 - HE    ARG   10  far    0    91   0   -  5.8-8.7
      HG21  VAL   12 - HE1   PHE    9  far    0    95   0   -  6.2-10.1
      HG21  VAL   12 - HE    ARG   10  far    0    91   0   -  6.3-8.7
      HD11  LEU    2 - HE1   PHE    9  far    0    97   0   -  6.6-12.4
      HG23  VAL   12 - HE1   PHE    9  far    0    95   0   -  6.6-9.6
      HG22  VAL   12 - HE1   PHE    9  far    0    95   0   -  6.7-9.5
      HG22  ILE    6 - HE1   PHE    9  far    0    97   0   -  6.8-7.9
      HG23  VAL   12 - HH2   TRP    4  far    0    82   0   -  7.2-11.3
      HG21  VAL   12 - HH2   TRP    4  far    0    82   0   -  7.4-10.4
      HG22  VAL   12 - HH2   TRP    4  far    0    82   0   -  7.5-10.2
      HG21  ILE    6 - HE1   PHE    9  far    0    97   0   -  7.6-8.8
      HD13  LEU    2 - HE1   PHE    9  far    0    97   0   -  7.9-11.4
      HG23  ILE    6 - HE1   PHE    9  far    0    97   0   -  8.0-9.2
      HD12  LEU    2 - HE1   PHE    9  far    0    97   0   -  8.2-12.2
    Violated in 1 structures by 0.00 A.
 
    Peak 274 from carmennoesy2.xpk (1.27, 7.17 ppm; 3.85 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 275 from carmennoesy2.xpk (0.90, 7.03 ppm; 4.70 A):
    0 out of 15 assignments used, quality = 0.00:
      HD12  ILE    6 - HE    ARG   10  far   13    83  15   -  3.8-7.4
      HD11  ILE    6 - HE    ARG   10  far   13    83  15   -  4.5-7.2
      HD12  ILE    6 - HE1   PHE    9  far    8    85  10   -  4.1-8.7
      HD13  ILE    6 - HE    ARG   10  far    8    83  10   -  4.0-7.2
      HD11  ILE    6 - HE1   PHE    9  far    4    85   5   -  4.2-8.9
      HD13  ILE    6 - HE1   PHE    9  far    4    85   5   -  4.3-9.3
      HG13  VAL   12 - HE1   PHE    9  far    0    94   0   -  7.7-10.7
      HG11  VAL   12 - HE1   PHE    9  far    0    94   0   -  7.8-11.0
      HG11  VAL   12 - HE    ARG   10  far    0    92   0   -  7.8-9.2
      HG12  VAL   12 - HE    ARG   10  far    0    92   0   -  7.8-9.4
      HG13  VAL   12 - HE    ARG   10  far    0    92   0   -  7.9-9.3
      HG12  VAL   12 - HE1   PHE    9  far    0    94   0   -  8.1-11.0
      HG13  VAL   12 - HH2   TRP    4  far    0    79   0   -  9.4-13.7
      HG12  VAL   12 - HH2   TRP    4  far    0    79   0   -  9.5-13.2
      HG11  VAL   12 - HH2   TRP    4  far    0    79   0   -  9.6-13.8
    Violated in 11 structures by 0.19 A.
 
    Peak 276 from carmennoesy2.xpk (1.30, 7.04 ppm; 4.04 A):
    0 out of 6 assignments used, quality = 0.00:
      HB2   LYS    8 - HH2   TRP    4  far    0    85   0   -  5.3-6.6
      HB2   LYS    8 - HE1   PHE    9  far    0    85   0   -  5.7-7.0
      HB2   LYS    8 - HE    ARG   10  far    0    61   0   -  7.0-7.7
      HG21  THR    3 - HH2   TRP    4  far    0    70   0   -  7.8-11.9
      HG23  THR    3 - HH2   TRP    4  far    0    70   0   -  7.8-12.0
      HG22  THR    3 - HH2   TRP    4  far    0    70   0   -  9.1-11.9
    Violated in 20 structures by 1.13 A.
 
    Peak 277 from carmennoesy2.xpk (1.22, 7.04 ppm; 4.28 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 278 from carmennoesy2.xpk (3.44, 7.05 ppm; 4.29 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   TRP    4 - HH2   TRP    4  far    0    89   0   -  6.2-6.7
      HB2   TRP    4 - HE1   PHE    9  far    0    71   0   -  8.1-8.3
    Violated in 20 structures by 1.86 A.
 
    Peak 279 from carmennoesy2.xpk (3.29, 7.05 ppm; 4.24 A):
    1 out of 4 assignments used, quality = 0.58:
      HB2   PHE    5 + HE1   PHE    9  OK    58    63 100  92  3.2-3.9   3.7/47=65, 3.0/283=55
      HB3   TRP    4 - HH2   TRP    4  far    0    50   0   -  7.1-7.3
      HB3   TRP    4 - HE1   PHE    9  far    0    39   0   -  9.2-9.9
      HB2   PHE    5 - HH2   TRP    4  far    0    79   0   -  9.4-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 280 from carmennoesy2.xpk (3.23, 7.05 ppm; 5.34 A increased from 4.75 A):
    1 out of 3 assignments used, quality = 0.75:
      HB3   PHE    5 + HE1   PHE    9  OK    75    75 100 100  4.8-5.3   1.8/279=98, 3.7/47=88
      HB3   PHE    5 - HE    ARG   10  far    0    38   0   -  8.2-9.0
      HB3   PHE    5 - HH2   TRP    4  far    0    92   0   -  9.3-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 281 from carmennoesy2.xpk (3.17, 7.03 ppm; 3.24 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 282 from carmennoesy2.xpk (3.62, 7.04 ppm; 4.50 A):
    1 out of 2 assignments used, quality = 0.79:
      HA    ILE    6 + HE    ARG   10  OK    79    86 100  91  3.4-4.3   4.2/273=58, 116/40=56, 117/52=51
      HA    ILE    6 - HE1   PHE    9  far    0   100   0   -  5.0-5.7
    Violated in 0 structures by 0.00 A.
 
    Peak 283 from carmennoesy2.xpk (3.89, 7.05 ppm; 4.65 A increased from 3.72 A):
    1 out of 5 assignments used, quality = 0.66:
      HA    PHE    5 + HE1   PHE    9  OK    66    68 100  97  4.4-4.4   3.0/279=72, 4.4/47=64...(4)
      HA    PHE    5 - HH2   TRP    4  far    0    87   0   -  6.8-9.1
      HA    ARG   10 - HE1   PHE    9  far    0    45   0   -  9.1-9.2
      HA2   GLY    1 - HH2   TRP    4  far    0    35   0   -  9.3-11.8
      HA2   GLY    1 - HE1   PHE    9  far    0    27   0   -  9.3-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 284 from carmennoesy2.xpk (3.89, 7.03 ppm; 3.73 A):
    1 out of 5 assignments used, quality = 0.81:
      HA    ARG   10 + HE    ARG   10  OK    81    91 100  90  2.3-2.9   3.0/59=54, 3.0/269=50...(4)
      HA    PHE    5 - HE1   PHE    9  far    0    81   0   -  4.4-4.4
      HA    PHE    5 - HH2   TRP    4  far    0    64   0   -  6.8-9.1
      HA    PHE    5 - HE    ARG   10  far    0    90   0   -  7.4-8.3
      HA    ARG   10 - HE1   PHE    9  far    0    81   0   -  9.1-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 285 from carmennoesy2.xpk (3.85, 7.00 ppm; 4.52 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 286 from carmennoesy2.xpk (4.04, 7.04 ppm; 3.51 A):
    0 out of 4 assignments used, quality = 0.00:
      HA    PHE    9 - HE    ARG   10  far    0    81   0   -  4.3-4.4
      HA    PHE    9 - HE1   PHE    9  far    0    99   0   -  4.8-5.6
      HA3   GLY    1 - HH2   TRP    4  far    0    75   0   -  9.0-11.1
      HA    PHE    9 - HH2   TRP    4  far    0    94   0   -  9.2-10.3
    Violated in 20 structures by 0.66 A.
 
    Peak 287 from carmennoesy2.xpk (4.15, 7.05 ppm; 5.48 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 288 from carmennoesy2.xpk (4.08, 7.00 ppm; 4.56 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 289 from carmennoesy2.xpk (3.88, 7.00 ppm; 4.67 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 290 from carmennoesy2.xpk (3.15, 7.04 ppm; 3.42 A):
    1 out of 2 assignments used, quality = 0.60:
      HB3   PHE    9 + HE    ARG   10  OK    60    69 100  87  2.0-2.4   1.8/264=69, 123/59=39, 127/52=27
      HB3   PHE    9 - HE1   PHE    9  far    0    84   0   -  5.2-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 291 from carmennoesy2.xpk (3.89, 6.82 ppm; 4.70 A):
    1 out of 5 assignments used, quality = 0.62:
      HA    ARG   10 + HH21  ARG   10  OK    62    62 100  99  3.5-4.7   284/2.3=85, ~40=52...(6)
      HA    PHE    5 - HZ3   TRP    4  far   13    87  15   -  4.8-7.1
      HA2   GLY    1 - HZ3   TRP    4  far    0    34   0   -  7.7-10.9
      HA    PHE    5 - HH21  ARG   10  far    0    93   0   -  7.9-9.5
      HA    ARG   10 - HZ3   TRP    4  far    0    58   0   -  9.1-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 292 from carmennoesy2.xpk (9.90, 7.27 ppm; 2.70 A increased from 2.54 A):
    1 out of 3 assignments used, quality = 1.00:
      HE1   TRP    4 + HD1   TRP    4  OK   100   100 100 100  2.6-2.6   2.6=100
      HE1   TRP    4 - HD2   PHE    5  far    0    42   0   -  8.4-10.3
      HE1   TRP    4 - HD1   PHE    5  far    0    46   0   -  9.8-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 293 from carmennoesy2.xpk (9.91, 7.45 ppm; 4.90 A):
    1 out of 2 assignments used, quality = 0.99:
      HE1   TRP    4 + HZ2   TRP    4  OK    99    99 100 100  2.8-2.8   2.8=100
      HE1   TRP    4 - HE3   TRP    4  far    0    81   0   -  5.3-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 294 from carmennoesy2.xpk (9.90, 7.04 ppm; 5.31 A):
    1 out of 1 assignment used, quality = 0.84:
      HE1   TRP    4 + HH2   TRP    4  OK    84    84 100 100  5.0-5.0   5.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 295 from carmennoesy2.xpk (4.57, 6.81 ppm; 3.70 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 296 from carmennoesy2.xpk (4.57, 6.88 ppm; 3.60 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 297 from carmennoesy2.xpk (1.31, 6.81 ppm; 4.80 A increased from 4.05 A):
    1 out of 5 assignments used, quality = 0.77:
      HB2   LYS    8 + HZ3   TRP    4  OK    77    99 100  78  4.4-4.8   204/2.5=71, ~191=17
      HG21  THR    3 - HZ3   TRP    4  far    0    99   0   -  7.1-11.1
      HG23  THR    3 - HZ3   TRP    4  far    0    99   0   -  7.1-11.1
      HB2   LYS    8 - HH21  ARG   10  far    0    99   0   -  7.9-9.2
      HG22  THR    3 - HZ3   TRP    4  far    0    99   0   -  8.6-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 298 from carmennoesy2.xpk (1.82, 4.35 ppm; 4.10 A):
    1 out of 2 assignments used, quality = 0.95:
      HB2   LEU    2 + HA    LEU    2  OK    95    95 100 100  3.0-3.0   3.0=100
      HB2   LEU    2 - HA    TRP    4  far    0    59   0   -  7.4-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 299 from carmennoesy2.xpk (1.44, 4.08 ppm; 3.60 A):
    1 out of 1 assignment used, quality = 0.62:
      HG2   LYS   13 + HA    LYS   13  OK    62    68 100  91  2.1-3.6   4.1=67, 2.8/301=51...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 300 from carmennoesy2.xpk (1.27, 4.07 ppm; 4.00 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 301 from carmennoesy2.xpk (1.58, 4.08 ppm; 3.78 A increased from 3.36 A):
    1 out of 1 assignment used, quality = 0.91:
      HD2   LYS   13 + HA    LYS   13  OK    91    98 100  93  2.9-3.8   2.8/299=59, 160/3.0=55...(4)
    Violated in 1 structures by 0.00 A.
 
    Peak 302 from carmennoesy2.xpk (2.05, 4.04 ppm; 4.11 A):
    1 out of 1 assignment used, quality = 0.62:
      HB    VAL   12 + HA    PHE    9  OK    62    94 100  66  2.7-4.1   210/90=50, 207/106=26, ~171=3
    Violated in 0 structures by 0.00 A.
 
    Average quality of peak assignments : 0.638
    Average number of used assignments  : 0.941
    Peaks with increased upper limit    : 55
    Peaks with decreased upper limit    : 0
 
    Protons used in less than 30% of expected peaks:
    Peak observation distance: 3.51 A
    Atom  Residue     Shift  Peaks   Used Expect
    HA2   GLY    1    3.912     10      1      4
    HG23  ILE    6    0.967     12      1      8
    HG12  ILE    6    1.248      4      3     11
    HG13  ILE    6    1.797      2      2     11
    HD11  ILE    6    0.894      7      1      6
    HD12  ILE    6    0.894      7      1      6
    HD13  ILE    6    0.894      7      1      7
    HD1   PHE    9    7.107      0      0      9
    HD2   ARG   10    3.189      0      0      7
    HH12  ARG   10    7.452      7      0      4
    HA    ILE   11    3.845      4      1      9
    HB    ILE   11    1.935      7      2      8
    HG21  ILE   11    0.874      2      2      8
    HG12  ILE   11    1.179      2      2     10
    HA    VAL   12    3.845      3      2      8
    HG11  VAL   12    0.898      3      2      7
    HG13  VAL   12    0.898      3      2      7
    HB2   LYS   13    1.953      5      1      6
    HG3   LYS   13    1.345      0      0      5
    HE2   LYS   13    2.949      0      0      3
 
    Peaks:
      selected                               :    303
      assigned                               :    219
      unassigned                             :     84
      with diagonal assignment               :      0
    Cross peaks:
      with off-diagonal assignment           :    219
      with unique assignment                 :    177
      with short-range assignment    |i-j|<=1:    160
      with medium-range assignment 1<|i-j|<5 :     59
      with long-range assignment     |i-j|>=5:      0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   2.082   0.028   1.504
    2    HA2  GLY   1           HA2      GLY   1   2.034  -0.832  -1.321
    3    HA3  GLY   1           HA3      GLY   1   2.031   0.869  -0.882
    4    H    LEU   2           H        LEU   2   3.964   0.398  -2.488
    5    HA   LEU   2           HA       LEU   2   6.352  -0.472  -1.064
    6    HB2  LEU   2           HB2      LEU   2   5.929  -1.178  -3.399
    7    HB3  LEU   2           HB3      LEU   2   6.050   0.507  -3.899
    8    HG   LEU   2           HG       LEU   2   8.079  -1.004  -4.272
    9   HD11  LEU   2          HD11      LEU   2   7.820   1.727  -3.603
   10   HD12  LEU   2          HD12      LEU   2   9.074   0.951  -4.569
   11   HD13  LEU   2          HD13      LEU   2   9.288   1.132  -2.828
   12   HD21  LEU   2          HD21      LEU   2   9.387  -1.678  -2.528
   13   HD22  LEU   2          HD22      LEU   2   7.801  -1.782  -1.763
   14   HD23  LEU   2          HD23      LEU   2   8.834  -0.383  -1.465
   15    H    THR   3           H        THR   3   4.860   2.443  -2.297
   16    HA   THR   3           HA       THR   3   7.088   4.159  -2.090
   17    HB   THR   3           HB       THR   3   5.174   4.871  -3.364
   18    HG1  THR   3           HG1      THR   3   4.714   6.909  -2.046
   19   HG21  THR   3          HG21      THR   3   3.085   4.498  -2.689
   20   HG22  THR   3          HG22      THR   3   3.315   5.584  -1.319
   21   HG23  THR   3          HG23      THR   3   3.703   3.871  -1.161
   22    H    TRP   4           H        TRP   4   4.758   3.008   0.247
   23    HA   TRP   4           HA       TRP   4   5.091   4.881   2.276
   24    HB2  TRP   4           HB2      TRP   4   3.923   2.282   1.996
   25    HB3  TRP   4           HB3      TRP   4   4.850   2.328   3.494
   26    HD1  TRP   4           HD1      TRP   4   1.507   2.451   2.918
   27    HE1  TRP   4           HE1      TRP   4   0.214   4.208   4.284
   28    HE3  TRP   4           HE3      TRP   4   5.405   5.484   4.236
   29    HZ2  TRP   4           HZ2      TRP   4   0.773   6.567   5.729
   30    HZ3  TRP   4           HZ3      TRP   4   4.941   7.471   5.611
   31    HH2  TRP   4           HH2      TRP   4   2.672   8.000   6.340
   32    H    PHE   5           H        PHE   5   7.055   2.079   1.427
   33    HA   PHE   5           HA       PHE   5   8.692   1.892   3.638
   34    HB2  PHE   5           HB2      PHE   5   8.939   1.205   0.777
   35    HB3  PHE   5           HB3      PHE   5  10.462   1.368   1.645
   36    HD1  PHE   5           HD1      PHE   5  10.131   0.255   4.186
   37    HD2  PHE   5           HD2      PHE   5   8.304  -0.977   0.544
   38    HE1  PHE   5           HE1      PHE   5   9.857  -2.015   5.095
   39    HE2  PHE   5           HE2      PHE   5   8.026  -3.249   1.448
   40    HZ   PHE   5           HZ       PHE   5   8.802  -3.770   3.726
   41    H    ILE   6           H        ILE   6   9.752   3.509   0.647
   42    HA   ILE   6           HA       ILE   6  11.898   4.871   1.714
   43    HB   ILE   6           HB       ILE   6  10.095   5.800  -0.524
   44   HG12  ILE   6          HG12      ILE   6  12.682   4.233  -0.614
   45   HG13  ILE   6          HG13      ILE   6  11.078   3.543  -0.840
   46   HG21  ILE   6          HG21      ILE   6  11.472   7.616   0.327
   47   HG22  ILE   6          HG22      ILE   6  12.914   6.613   0.173
   48   HG23  ILE   6          HG23      ILE   6  12.028   7.111  -1.269
   49   HD11  ILE   6          HD11      ILE   6  10.919   5.352  -2.729
   50   HD12  ILE   6          HD12      ILE   6  12.679   5.261  -2.655
   51   HD13  ILE   6          HD13      ILE   6  11.735   3.813  -3.004
   52    H    ASN   7           H        ASN   7   8.577   6.089   1.297
   53    HA   ASN   7           HA       ASN   7   8.870   8.635   2.279
   54    HB2  ASN   7           HB2      ASN   7   6.701   6.851   1.771
   55    HB3  ASN   7           HB3      ASN   7   6.426   7.617   3.332
   56   HD21  ASN   7          HD21      ASN   7   5.084   7.922   0.716
   57   HD22  ASN   7          HD22      ASN   7   5.136   9.614   0.372
   58    H    LYS   8           H        LYS   8   8.001   5.756   4.196
   59    HA   LYS   8           HA       LYS   8   8.080   7.038   6.697
   60    HB2  LYS   8           HB2      LYS   8   8.021   4.246   5.723
   61    HB3  LYS   8           HB3      LYS   8   8.666   4.474   7.343
   62    HG2  LYS   8           HG2      LYS   8   6.660   4.995   8.212
   63    HG3  LYS   8           HG3      LYS   8   6.151   5.889   6.778
   64    HD2  LYS   8           HD2      LYS   8   5.744   3.767   5.613
   65    HD3  LYS   8           HD3      LYS   8   6.231   2.885   7.062
   66    HE2  LYS   8           HE2      LYS   8   3.982   4.883   7.044
   67    HE3  LYS   8           HE3      LYS   8   3.740   3.171   6.697
   68    HZ1  LYS   8           HZ1      LYS   8   3.382   3.147   8.918
   69    HZ2  LYS   8           HZ2      LYS   8   4.371   4.484   9.225
   70    HZ3  LYS   8           HZ3      LYS   8   5.064   2.964   8.959
   71    H    PHE   9           H        PHE   9  10.573   5.587   4.722
   72    HA   PHE   9           HA       PHE   9  12.574   5.432   6.726
   73    HB2  PHE   9           HB2      PHE   9  12.542   5.322   3.740
   74    HB3  PHE   9           HB3      PHE   9  14.084   5.552   4.558
   75    HD1  PHE   9           HD1      PHE   9  12.261   3.165   3.043
   76    HD2  PHE   9           HD2      PHE   9  14.102   3.885   6.812
   77    HE1  PHE   9           HE1      PHE   9  12.408   0.739   3.431
   78    HE2  PHE   9           HE2      PHE   9  14.254   1.461   7.205
   79    HZ   PHE   9           HZ       PHE   9  13.407  -0.115   5.513
   80    H    ARG  10           H        ARG  10  11.586   7.939   4.467
   81    HA   ARG  10           HA       ARG  10  13.712   9.684   4.609
   82    HB2  ARG  10           HB2      ARG  10  10.751  10.255   4.462
   83    HB3  ARG  10           HB3      ARG  10  11.981  11.500   4.285
   84    HG2  ARG  10           HG2      ARG  10  11.623   9.090   2.515
   85    HG3  ARG  10           HG3      ARG  10  11.195  10.756   2.120
   86    HD2  ARG  10           HD2      ARG  10  13.237  10.651   1.114
   87    HD3  ARG  10           HD3      ARG  10  13.738  11.165   2.724
   88    HE   ARG  10           HE       ARG  10  13.854   8.492   2.924
   89   HH11  ARG  10          HH11      ARG  10  15.083  10.708   0.536
   90   HH12  ARG  10          HH12      ARG  10  16.439   9.713   0.121
   91   HH21  ARG  10          HH21      ARG  10  15.636   7.174   2.387
   92   HH22  ARG  10          HH22      ARG  10  16.753   7.702   1.174
   93    H    ILE  11           H        ILE  11  11.002   9.356   6.871
   94    HA   ILE  11           HA       ILE  11  11.597  11.498   8.551
   95    HB   ILE  11           HB       ILE  11  10.354   8.838   9.258
   96   HG12  ILE  11          HG12      ILE  11   8.400  10.791   9.293
   97   HG13  ILE  11          HG13      ILE  11   9.398  11.258   7.920
   98   HG21  ILE  11          HG21      ILE  11  11.144   9.850  11.276
   99   HG22  ILE  11          HG22      ILE  11  10.487  11.418  10.806
  100   HG23  ILE  11          HG23      ILE  11   9.398  10.086  11.194
  101   HD11  ILE  11          HD11      ILE  11   9.144   8.645   7.412
  102   HD12  ILE  11          HD12      ILE  11   7.635   8.928   8.280
  103   HD13  ILE  11          HD13      ILE  11   8.009   9.864   6.833
  104    H    VAL  12           H        VAL  12  13.054   8.343   8.297
  105    HA   VAL  12           HA       VAL  12  14.451   8.497  10.807
  106    HB   VAL  12           HB       VAL  12  15.082   6.671   8.490
  107   HG11  VAL  12          HG11      VAL  12  15.384   5.596  11.153
  108   HG12  VAL  12          HG12      VAL  12  16.562   5.706   9.844
  109   HG13  VAL  12          HG13      VAL  12  16.335   7.066  10.945
  110   HG21  VAL  12          HG21      VAL  12  13.178   6.122  10.761
  111   HG22  VAL  12          HG22      VAL  12  12.673   6.584   9.136
  112   HG23  VAL  12          HG23      VAL  12  13.542   5.071   9.393
  113    H    LYS  13           H        LYS  13  15.177   9.163   7.429
  114    HA   LYS  13           HA       LYS  13  17.961   9.495   7.690
  115    HB2  LYS  13           HB2      LYS  13  16.225  10.989   5.730
  116    HB3  LYS  13           HB3      LYS  13  17.903  10.500   5.536
  117    HG2  LYS  13           HG2      LYS  13  15.468   8.739   5.531
  118    HG3  LYS  13           HG3      LYS  13  16.572   9.065   4.194
  119    HD2  LYS  13           HD2      LYS  13  18.210   8.110   6.223
  120    HD3  LYS  13           HD3      LYS  13  16.763   7.104   6.320
  121    HE2  LYS  13           HE2      LYS  13  18.077   5.955   4.797
  122    HE3  LYS  13           HE3      LYS  13  17.022   6.907   3.753
  123    HZ1  LYS  13           HZ1      LYS  13  19.091   8.574   4.115
  124    HZ2  LYS  13           HZ2      LYS  13  18.935   7.521   2.801
  125    HZ3  LYS  13           HZ3      LYS  13  19.880   7.078   4.132
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   1.811  -0.001   0.854
    2    HA2  GLY   1           HA2      GLY   1   1.824  -0.892  -1.802
    3    HA3  GLY   1           HA3      GLY   1   1.779   0.865  -1.826
    4    H    LEU   2           H        LEU   2   3.861   0.689  -2.900
    5    HA   LEU   2           HA       LEU   2   6.091  -0.189  -1.241
    6    HB2  LEU   2           HB2      LEU   2   6.006  -0.789  -3.631
    7    HB3  LEU   2           HB3      LEU   2   6.074   0.922  -4.044
    8    HG   LEU   2           HG       LEU   2   8.224  -0.463  -4.230
    9   HD11  LEU   2          HD11      LEU   2   7.716   2.228  -3.510
   10   HD12  LEU   2          HD12      LEU   2   9.099   1.565  -4.380
   11   HD13  LEU   2          HD13      LEU   2   9.142   1.691  -2.621
   12   HD21  LEU   2          HD21      LEU   2   9.449  -0.947  -2.307
   13   HD22  LEU   2          HD22      LEU   2   7.810  -1.450  -1.895
   14   HD23  LEU   2          HD23      LEU   2   8.441   0.082  -1.289
   15    H    THR   3           H        THR   3   4.697   2.747  -2.572
   16    HA   THR   3           HA       THR   3   6.714   4.574  -2.143
   17    HB   THR   3           HB       THR   3   4.629   5.202  -3.233
   18    HG1  THR   3           HG1      THR   3   4.512   7.236  -2.337
   19   HG21  THR   3          HG21      THR   3   3.115   3.888  -1.776
   20   HG22  THR   3          HG22      THR   3   2.578   5.554  -1.994
   21   HG23  THR   3          HG23      THR   3   3.367   5.070  -0.493
   22    H    TRP   4           H        TRP   4   4.546   3.105   0.190
   23    HA   TRP   4           HA       TRP   4   4.858   4.762   2.370
   24    HB2  TRP   4           HB2      TRP   4   3.510   2.524   2.042
   25    HB3  TRP   4           HB3      TRP   4   4.934   1.799   2.783
   26    HD1  TRP   4           HD1      TRP   4   2.328   4.557   3.589
   27    HE1  TRP   4           HE1      TRP   4   1.995   4.609   6.141
   28    HE3  TRP   4           HE3      TRP   4   5.817   1.071   4.934
   29    HZ2  TRP   4           HZ2      TRP   4   3.069   3.340   8.422
   30    HZ3  TRP   4           HZ3      TRP   4   6.103   0.549   7.321
   31    HH2  TRP   4           HH2      TRP   4   4.757   1.661   9.027
   32    H    PHE   5           H        PHE   5   6.969   2.106   1.327
   33    HA   PHE   5           HA       PHE   5   8.772   2.081   3.415
   34    HB2  PHE   5           HB2      PHE   5   8.835   1.308   0.572
   35    HB3  PHE   5           HB3      PHE   5  10.413   1.617   1.289
   36    HD1  PHE   5           HD1      PHE   5  10.397   0.588   3.886
   37    HD2  PHE   5           HD2      PHE   5   8.352  -0.923   0.473
   38    HE1  PHE   5           HE1      PHE   5  10.380  -1.656   4.894
   39    HE2  PHE   5           HE2      PHE   5   8.331  -3.169   1.476
   40    HZ   PHE   5           HZ       PHE   5   9.345  -3.539   3.689
   41    H    ILE   6           H        ILE   6   9.405   3.736   0.320
   42    HA   ILE   6           HA       ILE   6  11.573   5.236   1.184
   43    HB   ILE   6           HB       ILE   6   9.548   6.005  -0.922
   44   HG12  ILE   6          HG12      ILE   6  10.571   3.801  -1.315
   45   HG13  ILE   6          HG13      ILE   6  11.111   4.980  -2.505
   46   HG21  ILE   6          HG21      ILE   6  10.907   7.901  -0.228
   47   HG22  ILE   6          HG22      ILE   6  12.375   6.959  -0.483
   48   HG23  ILE   6          HG23      ILE   6  11.349   7.381  -1.854
   49   HD11  ILE   6          HD11      ILE   6  13.196   5.264  -1.231
   50   HD12  ILE   6          HD12      ILE   6  12.655   4.012  -0.112
   51   HD13  ILE   6          HD13      ILE   6  12.959   3.613  -1.803
   52    H    ASN   7           H        ASN   7   8.124   6.016   1.269
   53    HA   ASN   7           HA       ASN   7   8.295   8.678   2.066
   54    HB2  ASN   7           HB2      ASN   7   6.244   6.537   2.290
   55    HB3  ASN   7           HB3      ASN   7   6.038   7.955   3.314
   56   HD21  ASN   7          HD21      ASN   7   4.177   7.380   1.435
   57   HD22  ASN   7          HD22      ASN   7   4.247   8.534   0.151
   58    H    LYS   8           H        LYS   8   8.198   5.730   4.039
   59    HA   LYS   8           HA       LYS   8   8.333   7.110   6.528
   60    HB2  LYS   8           HB2      LYS   8   8.220   4.351   5.610
   61    HB3  LYS   8           HB3      LYS   8   9.312   4.545   6.975
   62    HG2  LYS   8           HG2      LYS   8   7.118   3.982   7.773
   63    HG3  LYS   8           HG3      LYS   8   7.499   5.643   8.233
   64    HD2  LYS   8           HD2      LYS   8   6.259   6.307   6.083
   65    HD3  LYS   8           HD3      LYS   8   5.622   4.661   6.105
   66    HE2  LYS   8           HE2      LYS   8   3.988   5.825   7.249
   67    HE3  LYS   8           HE3      LYS   8   4.995   5.222   8.565
   68    HZ1  LYS   8           HZ1      LYS   8   4.279   7.816   8.159
   69    HZ2  LYS   8           HZ2      LYS   8   5.870   7.765   7.586
   70    HZ3  LYS   8           HZ3      LYS   8   5.526   7.281   9.170
   71    H    PHE   9           H        PHE   9  10.722   5.497   4.471
   72    HA   PHE   9           HA       PHE   9  12.928   5.708   6.168
   73    HB2  PHE   9           HB2      PHE   9  12.497   5.282   3.279
   74    HB3  PHE   9           HB3      PHE   9  14.072   5.940   3.711
   75    HD1  PHE   9           HD1      PHE   9  12.331   3.008   3.134
   76    HD2  PHE   9           HD2      PHE   9  15.162   4.696   5.827
   77    HE1  PHE   9           HE1      PHE   9  13.102   0.749   3.734
   78    HE2  PHE   9           HE2      PHE   9  15.939   2.440   6.430
   79    HZ   PHE   9           HZ       PHE   9  14.909   0.463   5.383
   80    H    ARG  10           H        ARG  10  11.504   8.028   3.943
   81    HA   ARG  10           HA       ARG  10  13.542   9.923   3.862
   82    HB2  ARG  10           HB2      ARG  10  10.761   9.786   3.146
   83    HB3  ARG  10           HB3      ARG  10  11.097  11.334   3.910
   84    HG2  ARG  10           HG2      ARG  10  11.416  11.669   1.608
   85    HG3  ARG  10           HG3      ARG  10  13.035  11.559   2.302
   86    HD2  ARG  10           HD2      ARG  10  11.633   9.174   1.132
   87    HD3  ARG  10           HD3      ARG  10  12.586  10.276   0.139
   88    HE   ARG  10           HE       ARG  10  13.576   8.330   2.020
   89   HH11  ARG  10          HH11      ARG  10  14.267  11.259   0.270
   90   HH12  ARG  10          HH12      ARG  10  15.986  11.056   0.350
   91   HH21  ARG  10          HH21      ARG  10  15.837   8.052   2.133
   92   HH22  ARG  10          HH22      ARG  10  16.877   9.231   1.409
   93    H    ILE  11           H        ILE  11  11.065   9.339   6.287
   94    HA   ILE  11           HA       ILE  11  11.659  11.706   7.799
   95    HB   ILE  11           HB       ILE  11  10.122   9.235   8.611
   96   HG12  ILE  11          HG12      ILE  11   8.661  11.730   8.132
   97   HG13  ILE  11          HG13      ILE  11   9.454  11.098   6.693
   98   HG21  ILE  11          HG21      ILE  11  10.508  11.908   9.922
   99   HG22  ILE  11          HG22      ILE  11   9.118  10.884  10.279
  100   HG23  ILE  11          HG23      ILE  11  10.750  10.300  10.604
  101   HD11  ILE  11          HD11      ILE  11   7.213   9.984   8.273
  102   HD12  ILE  11          HD12      ILE  11   7.464  10.029   6.527
  103   HD13  ILE  11          HD13      ILE  11   8.330   8.851   7.513
  104    H    VAL  12           H        VAL  12  12.433   8.260   8.085
  105    HA   VAL  12           HA       VAL  12  13.795   8.416  10.546
  106    HB   VAL  12           HB       VAL  12  14.291   6.445   8.310
  107   HG11  VAL  12          HG11      VAL  12  14.785   6.248  11.280
  108   HG12  VAL  12          HG12      VAL  12  15.049   4.962  10.101
  109   HG13  VAL  12          HG13      VAL  12  16.019   6.434  10.033
  110   HG21  VAL  12          HG21      VAL  12  12.628   5.037   9.337
  111   HG22  VAL  12          HG22      VAL  12  12.369   6.216  10.624
  112   HG23  VAL  12          HG23      VAL  12  11.905   6.603   8.967
  113    H    LYS  13           H        LYS  13  14.856   8.847   7.216
  114    HA   LYS  13           HA       LYS  13  17.614   9.259   8.079
  115    HB2  LYS  13           HB2      LYS  13  16.258   8.806   5.464
  116    HB3  LYS  13           HB3      LYS  13  17.776   9.694   5.460
  117    HG2  LYS  13           HG2      LYS  13  18.452   7.513   5.119
  118    HG3  LYS  13           HG3      LYS  13  18.672   7.720   6.858
  119    HD2  LYS  13           HD2      LYS  13  16.266   6.782   7.032
  120    HD3  LYS  13           HD3      LYS  13  16.544   6.207   5.387
  121    HE2  LYS  13           HE2      LYS  13  17.228   4.393   6.631
  122    HE3  LYS  13           HE3      LYS  13  18.750   5.251   6.397
  123    HZ1  LYS  13           HZ1      LYS  13  18.888   5.000   8.612
  124    HZ2  LYS  13           HZ2      LYS  13  17.219   4.826   8.824
  125    HZ3  LYS  13           HZ3      LYS  13  17.893   6.368   8.653
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   2.150  -2.186  -1.730
    2    HA2  GLY   1           HA2      GLY   1   2.026   0.304  -2.241
    3    HA3  GLY   1           HA3      GLY   1   1.718   0.470  -0.519
    4    H    LEU   2           H        LEU   2   4.066   0.501  -2.889
    5    HA   LEU   2           HA       LEU   2   6.241  -0.318  -1.132
    6    HB2  LEU   2           HB2      LEU   2   6.229  -0.998  -3.502
    7    HB3  LEU   2           HB3      LEU   2   6.314   0.699  -3.970
    8    HG   LEU   2           HG       LEU   2   8.466  -0.694  -4.042
    9   HD11  LEU   2          HD11      LEU   2   7.941   2.020  -3.427
   10   HD12  LEU   2          HD12      LEU   2   9.350   1.327  -4.230
   11   HD13  LEU   2          HD13      LEU   2   9.337   1.511  -2.477
   12   HD21  LEU   2          HD21      LEU   2   9.562  -1.255  -2.113
   13   HD22  LEU   2          HD22      LEU   2   7.892  -1.498  -1.603
   14   HD23  LEU   2          HD23      LEU   2   8.744  -0.020  -1.156
   15    H    THR   3           H        THR   3   4.893   2.572  -2.600
   16    HA   THR   3           HA       THR   3   6.899   4.412  -2.171
   17    HB   THR   3           HB       THR   3   4.800   4.955  -3.334
   18    HG1  THR   3           HG1      THR   3   5.064   6.710  -1.120
   19   HG21  THR   3          HG21      THR   3   3.466   3.800  -1.354
   20   HG22  THR   3          HG22      THR   3   2.743   5.072  -2.338
   21   HG23  THR   3          HG23      THR   3   3.411   5.456  -0.752
   22    H    TRP   4           H        TRP   4   4.664   3.016   0.143
   23    HA   TRP   4           HA       TRP   4   4.909   4.744   2.276
   24    HB2  TRP   4           HB2      TRP   4   3.578   2.490   1.981
   25    HB3  TRP   4           HB3      TRP   4   4.982   1.797   2.789
   26    HD1  TRP   4           HD1      TRP   4   2.394   4.622   3.429
   27    HE1  TRP   4           HE1      TRP   4   1.963   4.736   5.964
   28    HE3  TRP   4           HE3      TRP   4   5.728   1.070   4.980
   29    HZ2  TRP   4           HZ2      TRP   4   2.912   3.486   8.311
   30    HZ3  TRP   4           HZ3      TRP   4   5.905   0.590   7.387
   31    HH2  TRP   4           HH2      TRP   4   4.526   1.774   9.016
   32    H    PHE   5           H        PHE   5   7.059   2.067   1.378
   33    HA   PHE   5           HA       PHE   5   8.799   2.113   3.518
   34    HB2  PHE   5           HB2      PHE   5   8.938   1.244   0.709
   35    HB3  PHE   5           HB3      PHE   5  10.499   1.606   1.438
   36    HD1  PHE   5           HD1      PHE   5  10.455   0.674   4.073
   37    HD2  PHE   5           HD2      PHE   5   8.494  -0.997   0.685
   38    HE1  PHE   5           HE1      PHE   5  10.457  -1.532   5.164
   39    HE2  PHE   5           HE2      PHE   5   8.493  -3.205   1.770
   40    HZ   PHE   5           HZ       PHE   5   9.474  -3.475   4.013
   41    H    ILE   6           H        ILE   6   9.384   3.766   0.410
   42    HA   ILE   6           HA       ILE   6  11.571   5.271   1.262
   43    HB   ILE   6           HB       ILE   6   9.554   6.005  -0.863
   44   HG12  ILE   6          HG12      ILE   6  12.229   4.654  -1.227
   45   HG13  ILE   6          HG13      ILE   6  10.725   3.754  -1.061
   46   HG21  ILE   6          HG21      ILE   6  10.922   7.905  -0.173
   47   HG22  ILE   6          HG22      ILE   6  12.384   6.958  -0.445
   48   HG23  ILE   6          HG23      ILE   6  11.341   7.380  -1.803
   49   HD11  ILE   6          HD11      ILE   6  11.798   5.229  -3.343
   50   HD12  ILE   6          HD12      ILE   6  10.675   3.870  -3.288
   51   HD13  ILE   6          HD13      ILE   6  10.086   5.511  -3.028
   52    H    ASN   7           H        ASN   7   8.116   6.025   1.317
   53    HA   ASN   7           HA       ASN   7   8.273   8.700   2.089
   54    HB2  ASN   7           HB2      ASN   7   6.233   7.012   1.534
   55    HB3  ASN   7           HB3      ASN   7   6.087   7.102   3.287
   56   HD21  ASN   7          HD21      ASN   7   6.421   9.140   0.416
   57   HD22  ASN   7          HD22      ASN   7   5.438  10.433   1.005
   58    H    LYS   8           H        LYS   8   8.170   5.762   4.073
   59    HA   LYS   8           HA       LYS   8   8.261   7.163   6.557
   60    HB2  LYS   8           HB2      LYS   8   8.127   4.404   5.661
   61    HB3  LYS   8           HB3      LYS   8   9.229   4.588   7.019
   62    HG2  LYS   8           HG2      LYS   8   7.029   4.051   7.825
   63    HG3  LYS   8           HG3      LYS   8   7.440   5.704   8.289
   64    HD2  LYS   8           HD2      LYS   8   6.191   6.423   6.182
   65    HD3  LYS   8           HD3      LYS   8   5.558   4.776   6.136
   66    HE2  LYS   8           HE2      LYS   8   3.909   5.848   7.323
   67    HE3  LYS   8           HE3      LYS   8   4.939   5.265   8.630
   68    HZ1  LYS   8           HZ1      LYS   8   5.929   7.742   7.889
   69    HZ2  LYS   8           HZ2      LYS   8   5.105   7.350   9.314
   70    HZ3  LYS   8           HZ3      LYS   8   4.249   7.923   7.973
   71    H    PHE   9           H        PHE   9  10.672   5.507   4.558
   72    HA   PHE   9           HA       PHE   9  12.854   5.727   6.281
   73    HB2  PHE   9           HB2      PHE   9  12.460   5.270   3.394
   74    HB3  PHE   9           HB3      PHE   9  14.029   5.937   3.832
   75    HD1  PHE   9           HD1      PHE   9  12.469   3.005   3.115
   76    HD2  PHE   9           HD2      PHE   9  14.935   4.712   6.136
   77    HE1  PHE   9           HE1      PHE   9  13.241   0.757   3.751
   78    HE2  PHE   9           HE2      PHE   9  15.711   2.466   6.775
   79    HZ   PHE   9           HZ       PHE   9  14.865   0.485   5.582
   80    H    ARG  10           H        ARG  10  11.473   8.036   4.020
   81    HA   ARG  10           HA       ARG  10  13.525   9.920   3.957
   82    HB2  ARG  10           HB2      ARG  10  10.762   9.787   3.182
   83    HB3  ARG  10           HB3      ARG  10  11.082  11.339   3.944
   84    HG2  ARG  10           HG2      ARG  10  11.452  11.661   1.648
   85    HG3  ARG  10           HG3      ARG  10  13.055  11.554   2.379
   86    HD2  ARG  10           HD2      ARG  10  11.674   9.169   1.181
   87    HD3  ARG  10           HD3      ARG  10  12.669  10.260   0.218
   88    HE   ARG  10           HE       ARG  10  13.579   8.312   2.136
   89   HH11  ARG  10          HH11      ARG  10  14.353  11.228   0.399
   90   HH12  ARG  10          HH12      ARG  10  16.066  11.011   0.536
   91   HH21  ARG  10          HH21      ARG  10  15.833   8.014   2.323
   92   HH22  ARG  10          HH22      ARG  10  16.907   9.182   1.630
   93    H    ILE  11           H        ILE  11  10.997   9.371   6.337
   94    HA   ILE  11           HA       ILE  11  11.577  11.748   7.839
   95    HB   ILE  11           HB       ILE  11   9.999   9.299   8.638
   96   HG12  ILE  11          HG12      ILE  11   8.574  11.803   8.105
   97   HG13  ILE  11          HG13      ILE  11   9.391  11.151   6.689
   98   HG21  ILE  11          HG21      ILE  11   8.984  11.255  10.149
   99   HG22  ILE  11          HG22      ILE  11  10.321  10.234  10.676
  100   HG23  ILE  11          HG23      ILE  11  10.644  11.836  10.014
  101   HD11  ILE  11          HD11      ILE  11   7.394  10.100   6.491
  102   HD12  ILE  11          HD12      ILE  11   8.226   8.923   7.507
  103   HD13  ILE  11          HD13      ILE  11   7.105  10.076   8.230
  104    H    VAL  12           H        VAL  12  12.309   8.297   8.176
  105    HA   VAL  12           HA       VAL  12  13.626   8.473  10.662
  106    HB   VAL  12           HB       VAL  12  14.129   6.454   8.472
  107   HG11  VAL  12          HG11      VAL  12  15.837   6.282  10.106
  108   HG12  VAL  12          HG12      VAL  12  14.684   6.460  11.431
  109   HG13  VAL  12          HG13      VAL  12  14.685   4.993  10.452
  110   HG21  VAL  12          HG21      VAL  12  11.734   6.666   9.077
  111   HG22  VAL  12          HG22      VAL  12  12.419   5.094   9.489
  112   HG23  VAL  12          HG23      VAL  12  12.158   6.299  10.750
  113    H    LYS  13           H        LYS  13  14.737   8.859   7.348
  114    HA   LYS  13           HA       LYS  13  17.485   9.265   8.268
  115    HB2  LYS  13           HB2      LYS  13  16.208   8.665   5.646
  116    HB3  LYS  13           HB3      LYS  13  17.717   9.568   5.630
  117    HG2  LYS  13           HG2      LYS  13  18.490   7.423   5.461
  118    HG3  LYS  13           HG3      LYS  13  18.536   7.654   7.211
  119    HD2  LYS  13           HD2      LYS  13  16.306   6.577   7.362
  120    HD3  LYS  13           HD3      LYS  13  16.377   6.261   5.627
  121    HE2  LYS  13           HE2      LYS  13  18.372   5.261   7.656
  122    HE3  LYS  13           HE3      LYS  13  17.041   4.312   6.995
  123    HZ1  LYS  13           HZ1      LYS  13  18.454   3.719   5.407
  124    HZ2  LYS  13           HZ2      LYS  13  19.595   4.883   5.857
  125    HZ3  LYS  13           HZ3      LYS  13  18.340   5.295   4.800
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   1.855   0.447   0.654
    2    HA2  GLY   1           HA2      GLY   1   1.905  -1.009  -1.755
    3    HA3  GLY   1           HA3      GLY   1   1.956   0.706  -2.135
    4    H    LEU   2           H        LEU   2   4.043   0.566  -2.989
    5    HA   LEU   2           HA       LEU   2   6.194  -0.313  -1.231
    6    HB2  LEU   2           HB2      LEU   2   6.177  -0.976  -3.606
    7    HB3  LEU   2           HB3      LEU   2   6.299   0.722  -4.061
    8    HG   LEU   2           HG       LEU   2   8.422  -0.715  -4.135
    9   HD11  LEU   2          HD11      LEU   2   7.951   2.005  -3.503
   10   HD12  LEU   2          HD12      LEU   2   9.348   1.289  -4.306
   11   HD13  LEU   2          HD13      LEU   2   9.333   1.460  -2.551
   12   HD21  LEU   2          HD21      LEU   2   9.490  -1.325  -2.210
   13   HD22  LEU   2          HD22      LEU   2   7.814  -1.512  -1.695
   14   HD23  LEU   2          HD23      LEU   2   8.718  -0.065  -1.248
   15    H    THR   3           H        THR   3   4.913   2.615  -2.684
   16    HA   THR   3           HA       THR   3   6.955   4.409  -2.234
   17    HB   THR   3           HB       THR   3   4.913   5.043  -3.410
   18    HG1  THR   3           HG1      THR   3   5.032   6.718  -1.131
   19   HG21  THR   3          HG21      THR   3   2.836   5.470  -2.259
   20   HG22  THR   3          HG22      THR   3   3.569   5.069  -0.706
   21   HG23  THR   3          HG23      THR   3   3.340   3.814  -1.924
   22    H    TRP   4           H        TRP   4   4.681   3.045   0.060
   23    HA   TRP   4           HA       TRP   4   4.952   4.753   2.207
   24    HB2  TRP   4           HB2      TRP   4   3.575   2.531   1.893
   25    HB3  TRP   4           HB3      TRP   4   4.961   1.800   2.696
   26    HD1  TRP   4           HD1      TRP   4   2.432   4.672   3.359
   27    HE1  TRP   4           HE1      TRP   4   2.002   4.773   5.894
   28    HE3  TRP   4           HE3      TRP   4   5.694   1.042   4.881
   29    HZ2  TRP   4           HZ2      TRP   4   2.924   3.485   8.231
   30    HZ3  TRP   4           HZ3      TRP   4   5.860   0.538   7.284
   31    HH2  TRP   4           HH2      TRP   4   4.504   1.736   8.923
   32    H    PHE   5           H        PHE   5   7.051   2.039   1.299
   33    HA   PHE   5           HA       PHE   5   8.782   2.033   3.447
   34    HB2  PHE   5           HB2      PHE   5   8.915   1.181   0.633
   35    HB3  PHE   5           HB3      PHE   5  10.480   1.506   1.370
   36    HD1  PHE   5           HD1      PHE   5  10.406   0.557   3.998
   37    HD2  PHE   5           HD2      PHE   5   8.426  -1.050   0.591
   38    HE1  PHE   5           HE1      PHE   5  10.359  -1.656   5.073
   39    HE2  PHE   5           HE2      PHE   5   8.375  -3.265   1.661
   40    HZ   PHE   5           HZ       PHE   5   9.342  -3.570   3.905
   41    H    ILE   6           H        ILE   6   9.405   3.702   0.354
   42    HA   ILE   6           HA       ILE   6  11.621   5.156   1.230
   43    HB   ILE   6           HB       ILE   6   9.636   5.934  -0.910
   44   HG12  ILE   6          HG12      ILE   6  12.280   4.497  -1.199
   45   HG13  ILE   6          HG13      ILE   6  10.723   3.677  -1.156
   46   HG21  ILE   6          HG21      ILE   6  11.024   7.810  -0.201
   47   HG22  ILE   6          HG22      ILE   6  12.475   6.843  -0.457
   48   HG23  ILE   6          HG23      ILE   6  11.456   7.283  -1.827
   49   HD11  ILE   6          HD11      ILE   6  10.139   5.282  -3.117
   50   HD12  ILE   6          HD12      ILE   6  11.891   5.415  -3.271
   51   HD13  ILE   6          HD13      ILE   6  11.112   3.839  -3.408
   52    H    ASN   7           H        ASN   7   8.181   5.988   1.242
   53    HA   ASN   7           HA       ASN   7   8.366   8.650   2.019
   54    HB2  ASN   7           HB2      ASN   7   6.307   7.000   1.473
   55    HB3  ASN   7           HB3      ASN   7   6.177   7.056   3.228
   56   HD21  ASN   7          HD21      ASN   7   4.457   8.311   3.546
   57   HD22  ASN   7          HD22      ASN   7   4.279   9.922   2.949
   58    H    LYS   8           H        LYS   8   8.198   5.733   4.036
   59    HA   LYS   8           HA       LYS   8   8.318   7.133   6.508
   60    HB2  LYS   8           HB2      LYS   8   8.213   4.371   5.615
   61    HB3  LYS   8           HB3      LYS   8   9.312   4.570   6.974
   62    HG2  LYS   8           HG2      LYS   8   7.121   4.013   7.785
   63    HG3  LYS   8           HG3      LYS   8   7.504   5.676   8.235
   64    HD2  LYS   8           HD2      LYS   8   6.252   6.340   6.100
   65    HD3  LYS   8           HD3      LYS   8   5.627   4.689   6.107
   66    HE2  LYS   8           HE2      LYS   8   3.984   5.841   7.255
   67    HE3  LYS   8           HE3      LYS   8   4.985   5.214   8.565
   68    HZ1  LYS   8           HZ1      LYS   8   5.905   7.756   7.669
   69    HZ2  LYS   8           HZ2      LYS   8   5.463   7.263   9.226
   70    HZ3  LYS   8           HZ3      LYS   8   4.285   7.832   8.153
   71    H    PHE   9           H        PHE   9  10.739   5.533   4.483
   72    HA   PHE   9           HA       PHE   9  12.925   5.767   6.209
   73    HB2  PHE   9           HB2      PHE   9  12.531   5.307   3.321
   74    HB3  PHE   9           HB3      PHE   9  14.097   5.979   3.763
   75    HD1  PHE   9           HD1      PHE   9  12.438   3.033   3.140
   76    HD2  PHE   9           HD2      PHE   9  15.112   4.761   5.965
   77    HE1  PHE   9           HE1      PHE   9  13.216   0.786   3.773
   78    HE2  PHE   9           HE2      PHE   9  15.894   2.518   6.602
   79    HZ   PHE   9           HZ       PHE   9  14.947   0.527   5.505
   80    H    ARG  10           H        ARG  10  11.512   8.054   3.944
   81    HA   ARG  10           HA       ARG  10  13.536   9.960   3.859
   82    HB2  ARG  10           HB2      ARG  10  10.748   9.809   3.150
   83    HB3  ARG  10           HB3      ARG  10  11.098  11.372   3.875
   84    HG2  ARG  10           HG2      ARG  10  11.397  11.629   1.553
   85    HG3  ARG  10           HG3      ARG  10  13.015  11.568   2.255
   86    HD2  ARG  10           HD2      ARG  10  11.662   9.115   1.175
   87    HD3  ARG  10           HD3      ARG  10  12.578  10.203   0.132
   88    HE   ARG  10           HE       ARG  10  13.634   8.354   2.073
   89   HH11  ARG  10          HH11      ARG  10  14.233  11.235   0.213
   90   HH12  ARG  10          HH12      ARG  10  15.957  11.081   0.285
   91   HH21  ARG  10          HH21      ARG  10  15.903   8.139   2.174
   92   HH22  ARG  10          HH22      ARG  10  16.906   9.319   1.400
   93    H    ILE  11           H        ILE  11  11.053   9.385   6.279
   94    HA   ILE  11           HA       ILE  11  11.627  11.769   7.771
   95    HB   ILE  11           HB       ILE  11  10.102   9.296   8.601
   96   HG12  ILE  11          HG12      ILE  11   8.626  11.775   8.093
   97   HG13  ILE  11          HG13      ILE  11   9.430  11.138   6.663
   98   HG21  ILE  11          HG21      ILE  11  10.065  10.171  10.640
   99   HG22  ILE  11          HG22      ILE  11  10.981  11.573  10.092
  100   HG23  ILE  11          HG23      ILE  11   9.220  11.577   9.992
  101   HD11  ILE  11          HD11      ILE  11   8.320   8.889   7.493
  102   HD12  ILE  11          HD12      ILE  11   7.191  10.020   8.241
  103   HD13  ILE  11          HD13      ILE  11   7.449  10.054   6.496
  104    H    VAL  12           H        VAL  12  12.423   8.331   8.090
  105    HA   VAL  12           HA       VAL  12  13.775   8.518  10.555
  106    HB   VAL  12           HB       VAL  12  14.291   6.530   8.340
  107   HG11  VAL  12          HG11      VAL  12  15.177   6.779  11.147
  108   HG12  VAL  12          HG12      VAL  12  14.689   5.168  10.614
  109   HG13  VAL  12          HG13      VAL  12  15.975   6.028   9.766
  110   HG21  VAL  12          HG21      VAL  12  11.902   6.679   8.986
  111   HG22  VAL  12          HG22      VAL  12  12.631   5.121   9.374
  112   HG23  VAL  12          HG23      VAL  12  12.362   6.310  10.648
  113    H    LYS  13           H        LYS  13  14.830   8.964   7.231
  114    HA   LYS  13           HA       LYS  13  17.575   9.447   8.131
  115    HB2  LYS  13           HB2      LYS  13  16.309   8.779   5.518
  116    HB3  LYS  13           HB3      LYS  13  17.797   9.715   5.492
  117    HG2  LYS  13           HG2      LYS  13  18.479   7.491   5.289
  118    HG3  LYS  13           HG3      LYS  13  18.779   7.900   6.980
  119    HD2  LYS  13           HD2      LYS  13  16.573   6.870   7.540
  120    HD3  LYS  13           HD3      LYS  13  16.458   6.329   5.864
  121    HE2  LYS  13           HE2      LYS  13  18.310   4.895   6.092
  122    HE3  LYS  13           HE3      LYS  13  18.819   5.658   7.597
  123    HZ1  LYS  13           HZ1      LYS  13  17.482   3.384   7.525
  124    HZ2  LYS  13           HZ2      LYS  13  16.169   4.449   7.575
  125    HZ3  LYS  13           HZ3      LYS  13  17.333   4.484   8.802
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   1.646  -0.222   0.744
    2    HA2  GLY   1           HA2      GLY   1   1.854  -0.550  -2.139
    3    HA3  GLY   1           HA3      GLY   1   1.781   1.110  -1.568
    4    H    LEU   2           H        LEU   2   3.952   0.650  -2.904
    5    HA   LEU   2           HA       LEU   2   6.069  -0.297  -1.140
    6    HB2  LEU   2           HB2      LEU   2   6.045  -0.950  -3.517
    7    HB3  LEU   2           HB3      LEU   2   6.215   0.746  -3.965
    8    HG   LEU   2           HG       LEU   2   8.298  -0.750  -4.036
    9   HD11  LEU   2          HD11      LEU   2   7.899   1.981  -3.399
   10   HD12  LEU   2          HD12      LEU   2   9.278   1.229  -4.201
   11   HD13  LEU   2          HD13      LEU   2   9.263   1.396  -2.446
   12   HD21  LEU   2          HD21      LEU   2   9.423  -1.249  -2.058
   13   HD22  LEU   2          HD22      LEU   2   7.744  -1.652  -1.693
   14   HD23  LEU   2          HD23      LEU   2   8.437  -0.140  -1.104
   15    H    THR   3           H        THR   3   4.885   2.673  -2.592
   16    HA   THR   3           HA       THR   3   6.978   4.403  -2.119
   17    HB   THR   3           HB       THR   3   4.937   5.075  -3.306
   18    HG1  THR   3           HG1      THR   3   5.711   6.971  -2.780
   19   HG21  THR   3          HG21      THR   3   3.616   5.319  -0.608
   20   HG22  THR   3          HG22      THR   3   3.378   3.936  -1.676
   21   HG23  THR   3          HG23      THR   3   2.888   5.548  -2.196
   22    H    TRP   4           H        TRP   4   4.641   3.104   0.151
   23    HA   TRP   4           HA       TRP   4   4.944   4.796   2.306
   24    HB2  TRP   4           HB2      TRP   4   3.480   2.654   1.995
   25    HB3  TRP   4           HB3      TRP   4   4.847   1.830   2.740
   26    HD1  TRP   4           HD1      TRP   4   2.377   4.705   3.544
   27    HE1  TRP   4           HE1      TRP   4   2.050   4.780   6.096
   28    HE3  TRP   4           HE3      TRP   4   5.733   1.094   4.898
   29    HZ2  TRP   4           HZ2      TRP   4   3.079   3.480   8.381
   30    HZ3  TRP   4           HZ3      TRP   4   6.002   0.570   7.287
   31    HH2  TRP   4           HH2      TRP   4   4.702   1.740   8.991
   32    H    PHE   5           H        PHE   5   6.972   2.028   1.403
   33    HA   PHE   5           HA       PHE   5   8.683   1.967   3.569
   34    HB2  PHE   5           HB2      PHE   5   8.834   1.132   0.743
   35    HB3  PHE   5           HB3      PHE   5  10.389   1.372   1.534
   36    HD1  PHE   5           HD1      PHE   5  10.247   0.377   4.117
   37    HD2  PHE   5           HD2      PHE   5   8.178  -1.054   0.684
   38    HE1  PHE   5           HE1      PHE   5  10.060  -1.843   5.160
   39    HE2  PHE   5           HE2      PHE   5   7.987  -3.276   1.722
   40    HZ   PHE   5           HZ       PHE   5   8.927  -3.673   3.963
   41    H    ILE   6           H        ILE   6   9.567   3.483   0.466
   42    HA   ILE   6           HA       ILE   6  11.755   4.901   1.361
   43    HB   ILE   6           HB       ILE   6   9.813   5.755  -0.789
   44   HG12  ILE   6          HG12      ILE   6  12.429   4.296  -1.140
   45   HG13  ILE   6          HG13      ILE   6  10.898   3.447  -0.959
   46   HG21  ILE   6          HG21      ILE   6  11.253   7.586  -0.076
   47   HG22  ILE   6          HG22      ILE   6  12.675   6.571  -0.307
   48   HG23  ILE   6          HG23      ILE   6  11.691   7.038  -1.694
   49   HD11  ILE   6          HD11      ILE   6  10.112   4.165  -3.003
   50   HD12  ILE   6          HD12      ILE   6  11.208   5.547  -3.056
   51   HD13  ILE   6          HD13      ILE   6  11.829   3.918  -3.320
   52    H    ASN   7           H        ASN   7   8.379   6.005   1.185
   53    HA   ASN   7           HA       ASN   7   8.698   8.608   2.042
   54    HB2  ASN   7           HB2      ASN   7   6.504   6.649   2.021
   55    HB3  ASN   7           HB3      ASN   7   6.339   7.905   3.244
   56   HD21  ASN   7          HD21      ASN   7   4.585   8.831   2.211
   57   HD22  ASN   7          HD22      ASN   7   4.745   9.737   0.749
   58    H    LYS   8           H        LYS   8   8.132   5.729   4.059
   59    HA   LYS   8           HA       LYS   8   8.249   7.052   6.536
   60    HB2  LYS   8           HB2      LYS   8   8.761   4.185   5.751
   61    HB3  LYS   8           HB3      LYS   8   8.807   4.732   7.422
   62    HG2  LYS   8           HG2      LYS   8   6.419   5.084   5.630
   63    HG3  LYS   8           HG3      LYS   8   6.652   3.693   6.690
   64    HD2  LYS   8           HD2      LYS   8   6.326   4.920   8.599
   65    HD3  LYS   8           HD3      LYS   8   6.891   6.420   7.860
   66    HE2  LYS   8           HE2      LYS   8   4.583   5.625   6.447
   67    HE3  LYS   8           HE3      LYS   8   4.216   5.448   8.162
   68    HZ1  LYS   8           HZ1      LYS   8   5.277   7.903   6.869
   69    HZ2  LYS   8           HZ2      LYS   8   4.913   7.733   8.512
   70    HZ3  LYS   8           HZ3      LYS   8   3.676   7.662   7.360
   71    H    PHE   9           H        PHE   9  10.749   5.581   4.532
   72    HA   PHE   9           HA       PHE   9  12.863   5.672   6.361
   73    HB2  PHE   9           HB2      PHE   9  12.591   5.453   3.428
   74    HB3  PHE   9           HB3      PHE   9  14.139   6.068   3.997
   75    HD1  PHE   9           HD1      PHE   9  12.478   3.203   3.061
   76    HD2  PHE   9           HD2      PHE   9  15.053   4.659   6.121
   77    HE1  PHE   9           HE1      PHE   9  13.209   0.902   3.536
   78    HE2  PHE   9           HE2      PHE   9  15.788   2.361   6.601
   79    HZ   PHE   9           HZ       PHE   9  14.867   0.479   5.307
   80    H    ARG  10           H        ARG  10  11.587   8.122   4.173
   81    HA   ARG  10           HA       ARG  10  13.593  10.027   4.338
   82    HB2  ARG  10           HB2      ARG  10  10.601  10.388   4.123
   83    HB3  ARG  10           HB3      ARG  10  11.761  11.694   3.918
   84    HG2  ARG  10           HG2      ARG  10  11.548   9.217   2.220
   85    HG3  ARG  10           HG3      ARG  10  11.046  10.848   1.770
   86    HD2  ARG  10           HD2      ARG  10  13.103  10.809   0.789
   87    HD3  ARG  10           HD3      ARG  10  13.559  11.397   2.387
   88    HE   ARG  10           HE       ARG  10  13.710   8.647   2.515
   89   HH11  ARG  10          HH11      ARG  10  15.199  11.192   0.663
   90   HH12  ARG  10          HH12      ARG  10  16.687  10.334   0.437
   91   HH21  ARG  10          HH21      ARG  10  15.664   7.507   2.223
   92   HH22  ARG  10          HH22      ARG  10  16.950   8.238   1.323
   93    H    ILE  11           H        ILE  11  10.935   9.369   6.566
   94    HA   ILE  11           HA       ILE  11  11.427  11.601   8.260
   95    HB   ILE  11           HB       ILE  11   9.995   9.013   8.873
   96   HG12  ILE  11          HG12      ILE  11   8.120  11.026   8.655
   97   HG13  ILE  11          HG13      ILE  11   9.265  11.423   7.378
   98   HG21  ILE  11          HG21      ILE  11  10.221  11.606  10.368
   99   HG22  ILE  11          HG22      ILE  11   8.871  10.500  10.616
  100   HG23  ILE  11          HG23      ILE  11  10.519   9.968  10.949
  101   HD11  ILE  11          HD11      ILE  11   7.488   9.061   7.669
  102   HD12  ILE  11          HD12      ILE  11   7.821  10.062   6.256
  103   HD13  ILE  11          HD13      ILE  11   9.011   8.881   6.800
  104    H    VAL  12           H        VAL  12  12.555   8.273   8.193
  105    HA   VAL  12           HA       VAL  12  13.779   8.305  10.761
  106    HB   VAL  12           HB       VAL  12  14.470   6.542   8.408
  107   HG11  VAL  12          HG11      VAL  12  16.160   6.412  10.093
  108   HG12  VAL  12          HG12      VAL  12  14.951   6.274  11.371
  109   HG13  VAL  12          HG13      VAL  12  15.166   4.961  10.213
  110   HG21  VAL  12          HG21      VAL  12  12.865   4.964   9.247
  111   HG22  VAL  12          HG22      VAL  12  12.501   5.999  10.627
  112   HG23  VAL  12          HG23      VAL  12  12.053   6.510   9.000
  113    H    LYS  13           H        LYS  13  14.869   9.082   7.510
  114    HA   LYS  13           HA       LYS  13  17.514   9.791   8.586
  115    HB2  LYS  13           HB2      LYS  13  16.574   9.033   5.832
  116    HB3  LYS  13           HB3      LYS  13  18.091   9.891   6.067
  117    HG2  LYS  13           HG2      LYS  13  18.906   7.789   6.125
  118    HG3  LYS  13           HG3      LYS  13  18.452   7.915   7.826
  119    HD2  LYS  13           HD2      LYS  13  17.329   6.006   7.430
  120    HD3  LYS  13           HD3      LYS  13  16.118   7.075   6.718
  121    HE2  LYS  13           HE2      LYS  13  18.383   6.033   5.062
  122    HE3  LYS  13           HE3      LYS  13  16.971   5.025   5.371
  123    HZ1  LYS  13           HZ1      LYS  13  17.220   7.416   3.732
  124    HZ2  LYS  13           HZ2      LYS  13  15.781   7.259   4.606
  125    HZ3  LYS  13           HZ3      LYS  13  16.244   6.051   3.515
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   1.696  -1.440  -0.001
    2    HA2  GLY   1           HA2      GLY   1   1.848  -0.003  -2.427
    3    HA3  GLY   1           HA3      GLY   1   1.614   1.127  -1.101
    4    H    LEU   2           H        LEU   2   3.919   0.618  -2.939
    5    HA   LEU   2           HA       LEU   2   5.979  -0.327  -1.107
    6    HB2  LEU   2           HB2      LEU   2   5.990  -1.035  -3.469
    7    HB3  LEU   2           HB3      LEU   2   6.207   0.646  -3.952
    8    HG   LEU   2           HG       LEU   2   8.257  -0.894  -3.943
    9   HD11  LEU   2          HD11      LEU   2   7.905   1.858  -3.375
   10   HD12  LEU   2          HD12      LEU   2   9.283   1.059  -4.130
   11   HD13  LEU   2          HD13      LEU   2   9.235   1.266  -2.379
   12   HD21  LEU   2          HD21      LEU   2   9.231  -1.537  -1.987
   13   HD22  LEU   2          HD22      LEU   2   7.539  -1.591  -1.491
   14   HD23  LEU   2          HD23      LEU   2   8.538  -0.199  -1.070
   15    H    THR   3           H        THR   3   4.884   2.631  -2.650
   16    HA   THR   3           HA       THR   3   7.001   4.331  -2.175
   17    HB   THR   3           HB       THR   3   5.031   5.044  -3.422
   18    HG1  THR   3           HG1      THR   3   5.141   6.761  -1.179
   19   HG21  THR   3          HG21      THR   3   3.588   5.260  -0.783
   20   HG22  THR   3          HG22      THR   3   3.384   3.904  -1.893
   21   HG23  THR   3          HG23      THR   3   2.934   5.533  -2.397
   22    H    TRP   4           H        TRP   4   4.601   3.124   0.078
   23    HA   TRP   4           HA       TRP   4   4.891   4.859   2.199
   24    HB2  TRP   4           HB2      TRP   4   3.399   2.734   1.909
   25    HB3  TRP   4           HB3      TRP   4   4.738   1.905   2.698
   26    HD1  TRP   4           HD1      TRP   4   2.311   4.846   3.392
   27    HE1  TRP   4           HE1      TRP   4   1.934   4.980   5.934
   28    HE3  TRP   4           HE3      TRP   4   5.557   1.191   4.887
   29    HZ2  TRP   4           HZ2      TRP   4   2.887   3.705   8.265
   30    HZ3  TRP   4           HZ3      TRP   4   5.765   0.710   7.291
   31    HH2  TRP   4           HH2      TRP   4   4.457   1.943   8.944
   32    H    PHE   5           H        PHE   5   6.893   2.042   1.395
   33    HA   PHE   5           HA       PHE   5   8.560   1.998   3.594
   34    HB2  PHE   5           HB2      PHE   5   8.758   1.112   0.785
   35    HB3  PHE   5           HB3      PHE   5  10.298   1.339   1.608
   36    HD1  PHE   5           HD1      PHE   5  10.174   0.358   4.159
   37    HD2  PHE   5           HD2      PHE   5   7.973  -1.031   0.791
   38    HE1  PHE   5           HE1      PHE   5   9.926  -1.841   5.233
   39    HE2  PHE   5           HE2      PHE   5   7.720  -3.232   1.860
   40    HZ   PHE   5           HZ       PHE   5   8.696  -3.640   4.084
   41    H    ILE   6           H        ILE   6   9.496   3.467   0.482
   42    HA   ILE   6           HA       ILE   6  11.704   4.856   1.372
   43    HB   ILE   6           HB       ILE   6   9.776   5.735  -0.781
   44   HG12  ILE   6          HG12      ILE   6  12.344   4.163  -1.051
   45   HG13  ILE   6          HG13      ILE   6  10.748   3.423  -1.012
   46   HG21  ILE   6          HG21      ILE   6  11.251   7.541  -0.076
   47   HG22  ILE   6          HG22      ILE   6  12.654   6.499  -0.305
   48   HG23  ILE   6          HG23      ILE   6  11.677   6.979  -1.692
   49   HD11  ILE   6          HD11      ILE   6  12.047   5.028  -3.140
   50   HD12  ILE   6          HD12      ILE   6  11.077   3.559  -3.257
   51   HD13  ILE   6          HD13      ILE   6  10.293   5.114  -2.976
   52    H    ASN   7           H        ASN   7   8.338   5.986   1.226
   53    HA   ASN   7           HA       ASN   7   8.710   8.597   2.071
   54    HB2  ASN   7           HB2      ASN   7   6.495   6.752   1.838
   55    HB3  ASN   7           HB3      ASN   7   6.320   7.752   3.277
   56   HD21  ASN   7          HD21      ASN   7   4.812   7.714   0.757
   57   HD22  ASN   7          HD22      ASN   7   4.893   9.326   0.141
   58    H    LYS   8           H        LYS   8   8.119   5.705   4.056
   59    HA   LYS   8           HA       LYS   8   8.200   7.007   6.548
   60    HB2  LYS   8           HB2      LYS   8   8.746   4.146   5.756
   61    HB3  LYS   8           HB3      LYS   8   8.730   4.689   7.429
   62    HG2  LYS   8           HG2      LYS   8   6.406   4.989   5.542
   63    HG3  LYS   8           HG3      LYS   8   6.611   3.638   6.659
   64    HD2  LYS   8           HD2      LYS   8   6.024   4.870   8.453
   65    HD3  LYS   8           HD3      LYS   8   6.872   6.305   7.871
   66    HE2  LYS   8           HE2      LYS   8   4.705   5.865   6.121
   67    HE3  LYS   8           HE3      LYS   8   4.080   5.682   7.760
   68    HZ1  LYS   8           HZ1      LYS   8   4.473   7.844   8.252
   69    HZ2  LYS   8           HZ2      LYS   8   4.258   8.021   6.584
   70    HZ3  LYS   8           HZ3      LYS   8   5.819   7.969   7.234
   71    H    PHE   9           H        PHE   9  10.724   5.552   4.561
   72    HA   PHE   9           HA       PHE   9  12.818   5.629   6.412
   73    HB2  PHE   9           HB2      PHE   9  12.579   5.441   3.474
   74    HB3  PHE   9           HB3      PHE   9  14.120   6.049   4.067
   75    HD1  PHE   9           HD1      PHE   9  12.347   3.179   3.199
   76    HD2  PHE   9           HD2      PHE   9  15.133   4.634   6.070
   77    HE1  PHE   9           HE1      PHE   9  13.073   0.873   3.659
   78    HE2  PHE   9           HE2      PHE   9  15.863   2.331   6.534
   79    HZ   PHE   9           HZ       PHE   9  14.834   0.446   5.327
   80    H    ARG  10           H        ARG  10  11.582   8.096   4.215
   81    HA   ARG  10           HA       ARG  10  13.574  10.001   4.417
   82    HB2  ARG  10           HB2      ARG  10  10.583  10.367   4.206
   83    HB3  ARG  10           HB3      ARG  10  11.744  11.674   4.014
   84    HG2  ARG  10           HG2      ARG  10  11.528   9.214   2.291
   85    HG3  ARG  10           HG3      ARG  10  11.027  10.850   1.858
   86    HD2  ARG  10           HD2      ARG  10  13.084  10.814   0.874
   87    HD3  ARG  10           HD3      ARG  10  13.539  11.395   2.475
   88    HE   ARG  10           HE       ARG  10  13.681   8.631   2.561
   89   HH11  ARG  10          HH11      ARG  10  15.211  11.235   0.828
   90   HH12  ARG  10          HH12      ARG  10  16.710  10.391   0.623
   91   HH21  ARG  10          HH21      ARG  10  15.650   7.510   2.297
   92   HH22  ARG  10          HH22      ARG  10  16.959   8.272   1.459
   93    H    ILE  11           H        ILE  11  10.888   9.354   6.621
   94    HA   ILE  11           HA       ILE  11  11.378  11.555   8.342
   95    HB   ILE  11           HB       ILE  11   9.972   8.948   8.933
   96   HG12  ILE  11          HG12      ILE  11   8.082  10.953   8.744
   97   HG13  ILE  11          HG13      ILE  11   9.218  11.364   7.463
   98   HG21  ILE  11          HG21      ILE  11   8.827  10.643  10.618
   99   HG22  ILE  11          HG22      ILE  11  10.284   9.746  11.043
  100   HG23  ILE  11          HG23      ILE  11  10.405  11.423  10.511
  101   HD11  ILE  11          HD11      ILE  11   8.977   8.839   6.850
  102   HD12  ILE  11          HD12      ILE  11   7.469   8.978   7.754
  103   HD13  ILE  11          HD13      ILE  11   7.755  10.007   6.351
  104    H    VAL  12           H        VAL  12  12.537   8.238   8.248
  105    HA   VAL  12           HA       VAL  12  13.729   8.190  10.810
  106    HB   VAL  12           HB       VAL  12  14.575   6.625   8.368
  107   HG11  VAL  12          HG11      VAL  12  15.400   6.635  11.169
  108   HG12  VAL  12          HG12      VAL  12  14.942   5.039  10.571
  109   HG13  VAL  12          HG13      VAL  12  16.203   5.960   9.752
  110   HG21  VAL  12          HG21      VAL  12  13.039   4.914   9.058
  111   HG22  VAL  12          HG22      VAL  12  12.589   5.832  10.495
  112   HG23  VAL  12          HG23      VAL  12  12.150   6.428   8.894
  113    H    LYS  13           H        LYS  13  15.043   8.920   7.591
  114    HA   LYS  13           HA       LYS  13  17.676   9.463   8.550
  115    HB2  LYS  13           HB2      LYS  13  16.237   9.721   5.959
  116    HB3  LYS  13           HB3      LYS  13  17.682  10.699   6.178
  117    HG2  LYS  13           HG2      LYS  13  18.338   8.690   5.106
  118    HG3  LYS  13           HG3      LYS  13  18.909   8.603   6.774
  119    HD2  LYS  13           HD2      LYS  13  17.141   7.124   7.382
  120    HD3  LYS  13           HD3      LYS  13  16.321   7.375   5.839
  121    HE2  LYS  13           HE2      LYS  13  19.095   6.240   5.968
  122    HE3  LYS  13           HE3      LYS  13  17.677   5.213   6.171
  123    HZ1  LYS  13           HZ1      LYS  13  18.750   5.660   3.821
  124    HZ2  LYS  13           HZ2      LYS  13  17.724   7.004   3.864
  125    HZ3  LYS  13           HZ3      LYS  13  17.083   5.445   4.009
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   4.761  -1.465   2.228
    2    HA2  GLY   1           HA2      GLY   1   3.287  -1.518  -0.183
    3    HA3  GLY   1           HA3      GLY   1   3.052   0.034   0.609
    4    H    LEU   2           H        LEU   2   4.158   0.149  -1.797
    5    HA   LEU   2           HA       LEU   2   7.040   0.033  -1.654
    6    HB2  LEU   2           HB2      LEU   2   5.006   0.497  -3.717
    7    HB3  LEU   2           HB3      LEU   2   6.489   1.427  -3.927
    8    HG   LEU   2           HG       LEU   2   6.602  -0.610  -5.216
    9   HD11  LEU   2          HD11      LEU   2   8.457  -1.566  -3.259
   10   HD12  LEU   2          HD12      LEU   2   8.482   0.197  -3.291
   11   HD13  LEU   2          HD13      LEU   2   8.770  -0.716  -4.772
   12   HD21  LEU   2          HD21      LEU   2   6.413  -2.787  -4.281
   13   HD22  LEU   2          HD22      LEU   2   4.997  -1.875  -3.756
   14   HD23  LEU   2          HD23      LEU   2   6.337  -2.146  -2.640
   15    H    THR   3           H        THR   3   4.952   2.719  -2.698
   16    HA   THR   3           HA       THR   3   6.734   4.768  -2.278
   17    HB   THR   3           HB       THR   3   4.479   4.959  -3.382
   18    HG1  THR   3           HG1      THR   3   5.879   6.776  -2.553
   19   HG21  THR   3          HG21      THR   3   3.338   3.933  -1.290
   20   HG22  THR   3          HG22      THR   3   2.518   5.231  -2.158
   21   HG23  THR   3          HG23      THR   3   3.384   5.579  -0.662
   22    H    TRP   4           H        TRP   4   4.758   3.091   0.067
   23    HA   TRP   4           HA       TRP   4   4.956   4.924   2.190
   24    HB2  TRP   4           HB2      TRP   4   3.553   2.696   1.885
   25    HB3  TRP   4           HB3      TRP   4   4.917   1.990   2.747
   26    HD1  TRP   4           HD1      TRP   4   2.292   4.799   3.234
   27    HE1  TRP   4           HE1      TRP   4   1.837   5.030   5.757
   28    HE3  TRP   4           HE3      TRP   4   5.721   1.438   4.989
   29    HZ2  TRP   4           HZ2      TRP   4   2.804   3.933   8.171
   30    HZ3  TRP   4           HZ3      TRP   4   5.893   1.088   7.418
   31    HH2  TRP   4           HH2      TRP   4   4.464   2.311   8.975
   32    H    PHE   5           H        PHE   5   6.996   2.166   1.282
   33    HA   PHE   5           HA       PHE   5   8.738   2.130   3.420
   34    HB2  PHE   5           HB2      PHE   5   8.850   1.284   0.600
   35    HB3  PHE   5           HB3      PHE   5  10.419   1.565   1.346
   36    HD1  PHE   5           HD1      PHE   5  10.311   0.603   3.968
   37    HD2  PHE   5           HD2      PHE   5   8.300  -0.932   0.545
   38    HE1  PHE   5           HE1      PHE   5  10.201  -1.613   5.031
   39    HE2  PHE   5           HE2      PHE   5   8.187  -3.151   1.603
   40    HZ   PHE   5           HZ       PHE   5   9.137  -3.493   3.849
   41    H    ILE   6           H        ILE   6   9.513   3.690   0.308
   42    HA   ILE   6           HA       ILE   6  11.719   5.117   1.147
   43    HB   ILE   6           HB       ILE   6   9.693   5.987  -0.918
   44   HG12  ILE   6          HG12      ILE   6  12.261   4.415  -1.231
   45   HG13  ILE   6          HG13      ILE   6  10.640   3.733  -1.311
   46   HG21  ILE   6          HG21      ILE   6  11.147   7.816  -0.226
   47   HG22  ILE   6          HG22      ILE   6  12.566   6.816  -0.531
   48   HG23  ILE   6          HG23      ILE   6  11.525   7.300  -1.869
   49   HD11  ILE   6          HD11      ILE   6  11.871   5.711  -3.210
   50   HD12  ILE   6          HD12      ILE   6  11.464   4.025  -3.531
   51   HD13  ILE   6          HD13      ILE   6  10.183   5.205  -3.254
   52    H    ASN   7           H        ASN   7   8.320   6.148   1.158
   53    HA   ASN   7           HA       ASN   7   8.639   8.755   2.027
   54    HB2  ASN   7           HB2      ASN   7   6.470   6.750   2.124
   55    HB3  ASN   7           HB3      ASN   7   6.338   8.063   3.290
   56   HD21  ASN   7          HD21      ASN   7   4.362   8.248   1.802
   57   HD22  ASN   7          HD22      ASN   7   4.529   9.344   0.477
   58    H    LYS   8           H        LYS   8   8.240   5.823   4.001
   59    HA   LYS   8           HA       LYS   8   8.401   7.093   6.503
   60    HB2  LYS   8           HB2      LYS   8   9.016   4.266   5.643
   61    HB3  LYS   8           HB3      LYS   8   9.065   4.785   7.322
   62    HG2  LYS   8           HG2      LYS   8   6.647   4.947   5.535
   63    HG3  LYS   8           HG3      LYS   8   6.955   3.679   6.724
   64    HD2  LYS   8           HD2      LYS   8   6.177   4.952   8.377
   65    HD3  LYS   8           HD3      LYS   8   7.233   6.289   7.916
   66    HE2  LYS   8           HE2      LYS   8   5.370   6.429   5.963
   67    HE3  LYS   8           HE3      LYS   8   4.394   5.806   7.293
   68    HZ1  LYS   8           HZ1      LYS   8   6.069   7.927   8.165
   69    HZ2  LYS   8           HZ2      LYS   8   4.385   7.792   8.248
   70    HZ3  LYS   8           HZ3      LYS   8   5.115   8.425   6.859
   71    H    PHE   9           H        PHE   9  10.886   5.694   4.413
   72    HA   PHE   9           HA       PHE   9  13.058   5.850   6.148
   73    HB2  PHE   9           HB2      PHE   9  12.681   5.681   3.226
   74    HB3  PHE   9           HB3      PHE   9  14.221   6.361   3.741
   75    HD1  PHE   9           HD1      PHE   9  12.311   3.379   3.270
   76    HD2  PHE   9           HD2      PHE   9  15.645   5.017   5.348
   77    HE1  PHE   9           HE1      PHE   9  13.173   1.110   3.669
   78    HE2  PHE   9           HE2      PHE   9  16.513   2.750   5.749
   79    HZ   PHE   9           HZ       PHE   9  15.277   0.793   4.909
   80    H    ARG  10           H        ARG  10  11.616   8.305   4.071
   81    HA   ARG  10           HA       ARG  10  13.573  10.275   4.252
   82    HB2  ARG  10           HB2      ARG  10  10.570  10.536   4.037
   83    HB3  ARG  10           HB3      ARG  10  11.686  11.882   3.852
   84    HG2  ARG  10           HG2      ARG  10  11.544   9.427   2.116
   85    HG3  ARG  10           HG3      ARG  10  11.009  11.054   1.690
   86    HD2  ARG  10           HD2      ARG  10  13.070  11.067   0.714
   87    HD3  ARG  10           HD3      ARG  10  13.504  11.652   2.319
   88    HE   ARG  10           HE       ARG  10  13.708   8.890   2.391
   89   HH11  ARG  10          HH11      ARG  10  15.192  11.543   0.694
   90   HH12  ARG  10          HH12      ARG  10  16.713  10.737   0.497
   91   HH21  ARG  10          HH21      ARG  10  15.706   7.818   2.139
   92   HH22  ARG  10          HH22      ARG  10  17.004   8.618   1.318
   93    H    ILE  11           H        ILE  11  11.033   9.376   6.505
   94    HA   ILE  11           HA       ILE  11  11.464  11.626   8.240
   95    HB   ILE  11           HB       ILE  11   9.978   9.047   8.752
   96   HG12  ILE  11          HG12      ILE  11   8.491  11.563   8.419
   97   HG13  ILE  11          HG13      ILE  11   9.325  11.019   6.968
   98   HG21  ILE  11          HG21      ILE  11  10.143  11.616  10.309
   99   HG22  ILE  11          HG22      ILE  11   8.864  10.426  10.543
  100   HG23  ILE  11          HG23      ILE  11  10.543   9.987  10.853
  101   HD11  ILE  11          HD11      ILE  11   8.186   8.724   7.634
  102   HD12  ILE  11          HD12      ILE  11   7.041   9.817   8.411
  103   HD13  ILE  11          HD13      ILE  11   7.351   9.951   6.680
  104    H    VAL  12           H        VAL  12  12.301   8.178   8.306
  105    HA   VAL  12           HA       VAL  12  13.565   8.178  10.819
  106    HB   VAL  12           HB       VAL  12  14.199   6.397   8.463
  107   HG11  VAL  12          HG11      VAL  12  14.925   4.797  10.166
  108   HG12  VAL  12          HG12      VAL  12  15.862   6.291  10.246
  109   HG13  VAL  12          HG13      VAL  12  14.587   5.984  11.426
  110   HG21  VAL  12          HG21      VAL  12  12.199   5.950  10.675
  111   HG22  VAL  12          HG22      VAL  12  11.787   6.449   9.035
  112   HG23  VAL  12          HG23      VAL  12  12.533   4.877   9.317
  113    H    LYS  13           H        LYS  13  14.732   8.937   7.592
  114    HA   LYS  13           HA       LYS  13  17.470   9.230   8.520
  115    HB2  LYS  13           HB2      LYS  13  16.095   9.241   5.883
  116    HB3  LYS  13           HB3      LYS  13  17.592  10.156   6.013
  117    HG2  LYS  13           HG2      LYS  13  17.974   7.890   5.189
  118    HG3  LYS  13           HG3      LYS  13  18.776   8.167   6.737
  119    HD2  LYS  13           HD2      LYS  13  16.870   7.059   7.870
  120    HD3  LYS  13           HD3      LYS  13  16.177   6.701   6.287
  121    HE2  LYS  13           HE2      LYS  13  17.925   5.235   5.734
  122    HE3  LYS  13           HE3      LYS  13  18.959   5.846   7.025
  123    HZ1  LYS  13           HZ1      LYS  13  16.447   4.710   7.904
  124    HZ2  LYS  13           HZ2      LYS  13  18.005   4.511   8.531
  125    HZ3  LYS  13           HZ3      LYS  13  17.511   3.604   7.191
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   1.568  -1.795  -0.145
    2    HA2  GLY   1           HA2      GLY   1   1.747  -0.401  -2.374
    3    HA3  GLY   1           HA3      GLY   1   1.631   0.923  -1.224
    4    H    LEU   2           H        LEU   2   3.820   0.771  -2.820
    5    HA   LEU   2           HA       LEU   2   5.938  -0.382  -1.144
    6    HB2  LEU   2           HB2      LEU   2   5.994  -1.105  -3.442
    7    HB3  LEU   2           HB3      LEU   2   5.957   0.564  -4.005
    8    HG   LEU   2           HG       LEU   2   8.185  -0.722  -4.078
    9   HD11  LEU   2          HD11      LEU   2   8.728   1.761  -2.637
   10   HD12  LEU   2          HD12      LEU   2   7.550   1.931  -3.939
   11   HD13  LEU   2          HD13      LEU   2   9.154   1.282  -4.280
   12   HD21  LEU   2          HD21      LEU   2   9.316  -1.185  -2.180
   13   HD22  LEU   2          HD22      LEU   2   7.695  -1.245  -1.487
   14   HD23  LEU   2          HD23      LEU   2   8.672   0.216  -1.324
   15    H    THR   3           H        THR   3   4.841   2.607  -2.646
   16    HA   THR   3           HA       THR   3   6.966   4.288  -2.165
   17    HB   THR   3           HB       THR   3   4.973   5.016  -3.379
   18    HG1  THR   3           HG1      THR   3   5.113   6.748  -1.159
   19   HG21  THR   3          HG21      THR   3   3.518   5.476  -0.810
   20   HG22  THR   3          HG22      THR   3   3.447   3.887  -1.571
   21   HG23  THR   3          HG23      THR   3   2.883   5.310  -2.446
   22    H    TRP   4           H        TRP   4   4.602   3.047   0.102
   23    HA   TRP   4           HA       TRP   4   4.902   4.755   2.242
   24    HB2  TRP   4           HB2      TRP   4   3.481   2.544   1.903
   25    HB3  TRP   4           HB3      TRP   4   4.820   1.820   2.789
   26    HD1  TRP   4           HD1      TRP   4   2.313   4.750   3.248
   27    HE1  TRP   4           HE1      TRP   4   1.775   4.940   5.758
   28    HE3  TRP   4           HE3      TRP   4   5.443   1.119   5.027
   29    HZ2  TRP   4           HZ2      TRP   4   2.572   3.714   8.172
   30    HZ3  TRP   4           HZ3      TRP   4   5.495   0.691   7.449
   31    HH2  TRP   4           HH2      TRP   4   4.089   1.962   8.988
   32    H    PHE   5           H        PHE   5   6.943   1.997   1.348
   33    HA   PHE   5           HA       PHE   5   8.637   1.929   3.527
   34    HB2  PHE   5           HB2      PHE   5   8.810   1.108   0.699
   35    HB3  PHE   5           HB3      PHE   5  10.359   1.351   1.500
   36    HD1  PHE   5           HD1      PHE   5  10.150   0.361   4.104
   37    HD2  PHE   5           HD2      PHE   5   8.222  -1.098   0.600
   38    HE1  PHE   5           HE1      PHE   5   9.966  -1.865   5.135
   39    HE2  PHE   5           HE2      PHE   5   8.035  -3.326   1.627
   40    HZ   PHE   5           HZ       PHE   5   8.907  -3.712   3.898
   41    H    ILE   6           H        ILE   6   9.556   3.450   0.438
   42    HA   ILE   6           HA       ILE   6  11.724   4.878   1.367
   43    HB   ILE   6           HB       ILE   6   9.814   5.724  -0.815
   44   HG12  ILE   6          HG12      ILE   6  12.445   4.304  -1.166
   45   HG13  ILE   6          HG13      ILE   6  10.946   3.411  -0.929
   46   HG21  ILE   6          HG21      ILE   6  11.233   7.561  -0.090
   47   HG22  ILE   6          HG22      ILE   6  12.664   6.550  -0.281
   48   HG23  ILE   6          HG23      ILE   6  11.710   7.004  -1.693
   49   HD11  ILE   6          HD11      ILE   6  10.655   3.512  -3.118
   50   HD12  ILE   6          HD12      ILE   6  10.380   5.246  -2.940
   51   HD13  ILE   6          HD13      ILE   6  11.996   4.641  -3.304
   52    H    ASN   7           H        ASN   7   8.349   5.974   1.128
   53    HA   ASN   7           HA       ASN   7   8.641   8.577   1.987
   54    HB2  ASN   7           HB2      ASN   7   6.459   6.611   1.926
   55    HB3  ASN   7           HB3      ASN   7   6.268   7.854   3.159
   56   HD21  ASN   7          HD21      ASN   7   5.460   9.743   2.566
   57   HD22  ASN   7          HD22      ASN   7   5.273  10.290   0.938
   58    H    LYS   8           H        LYS   8   8.078   5.695   3.998
   59    HA   LYS   8           HA       LYS   8   8.160   7.038   6.473
   60    HB2  LYS   8           HB2      LYS   8   8.014   4.305   5.535
   61    HB3  LYS   8           HB3      LYS   8   9.084   4.432   6.925
   62    HG2  LYS   8           HG2      LYS   8   6.853   3.929   7.665
   63    HG3  LYS   8           HG3      LYS   8   7.285   5.563   8.172
   64    HD2  LYS   8           HD2      LYS   8   6.117   6.313   6.002
   65    HD3  LYS   8           HD3      LYS   8   5.409   4.696   5.995
   66    HE2  LYS   8           HE2      LYS   8   3.798   5.691   7.220
   67    HE3  LYS   8           HE3      LYS   8   4.926   5.415   8.546
   68    HZ1  LYS   8           HZ1      LYS   8   3.890   7.814   7.838
   69    HZ2  LYS   8           HZ2      LYS   8   5.422   7.859   7.122
   70    HZ3  LYS   8           HZ3      LYS   8   5.274   7.589   8.785
   71    H    PHE   9           H        PHE   9  10.664   5.564   4.486
   72    HA   PHE   9           HA       PHE   9  12.760   5.625   6.345
   73    HB2  PHE   9           HB2      PHE   9  12.516   5.399   3.410
   74    HB3  PHE   9           HB3      PHE   9  14.065   6.000   3.993
   75    HD1  PHE   9           HD1      PHE   9  12.421   3.153   3.018
   76    HD2  PHE   9           HD2      PHE   9  14.906   4.585   6.163
   77    HE1  PHE   9           HE1      PHE   9  13.123   0.846   3.509
   78    HE2  PHE   9           HE2      PHE   9  15.612   2.281   6.658
   79    HZ   PHE   9           HZ       PHE   9  14.722   0.408   5.330
   80    H    ARG  10           H        ARG  10  11.552   8.075   4.114
   81    HA   ARG  10           HA       ARG  10  13.565   9.961   4.289
   82    HB2  ARG  10           HB2      ARG  10  10.578  10.353   4.073
   83    HB3  ARG  10           HB3      ARG  10  11.749  11.649   3.871
   84    HG2  ARG  10           HG2      ARG  10  11.517   9.175   2.170
   85    HG3  ARG  10           HG3      ARG  10  11.031  10.811   1.721
   86    HD2  ARG  10           HD2      ARG  10  13.089  10.753   0.743
   87    HD3  ARG  10           HD3      ARG  10  13.547  11.338   2.342
   88    HE   ARG  10           HE       ARG  10  13.664   8.575   2.446
   89   HH11  ARG  10          HH11      ARG  10  15.217  11.148   0.689
   90   HH12  ARG  10          HH12      ARG  10  16.707  10.288   0.488
   91   HH21  ARG  10          HH21      ARG  10  15.620   7.431   2.187
   92   HH22  ARG  10          HH22      ARG  10  16.935   8.173   1.339
   93    H    ILE  11           H        ILE  11  10.876   9.371   6.506
   94    HA   ILE  11           HA       ILE  11  11.381  11.590   8.196
   95    HB   ILE  11           HB       ILE  11   9.973   8.993   8.825
   96   HG12  ILE  11          HG12      ILE  11   8.084  10.996   8.630
   97   HG13  ILE  11          HG13      ILE  11   9.216  11.404   7.345
   98   HG21  ILE  11          HG21      ILE  11  10.079  11.614  10.304
   99   HG22  ILE  11          HG22      ILE  11   8.887  10.355  10.623
  100   HG23  ILE  11          HG23      ILE  11  10.602  10.030  10.877
  101   HD11  ILE  11          HD11      ILE  11   7.799  10.037   6.212
  102   HD12  ILE  11          HD12      ILE  11   8.963   8.843   6.787
  103   HD13  ILE  11          HD13      ILE  11   7.430   9.056   7.631
  104    H    VAL  12           H        VAL  12  12.540   8.273   8.140
  105    HA   VAL  12           HA       VAL  12  13.740   8.254  10.697
  106    HB   VAL  12           HB       VAL  12  14.585   6.668   8.269
  107   HG11  VAL  12          HG11      VAL  12  15.313   5.025  10.020
  108   HG12  VAL  12          HG12      VAL  12  16.248   6.520   9.969
  109   HG13  VAL  12          HG13      VAL  12  15.031   6.283  11.223
  110   HG21  VAL  12          HG21      VAL  12  12.163   6.470   8.800
  111   HG22  VAL  12          HG22      VAL  12  13.054   4.958   8.977
  112   HG23  VAL  12          HG23      VAL  12  12.605   5.890  10.406
  113    H    LYS  13           H        LYS  13  15.055   8.941   7.468
  114    HA   LYS  13           HA       LYS  13  17.686   9.498   8.408
  115    HB2  LYS  13           HB2      LYS  13  16.231   9.719   5.832
  116    HB3  LYS  13           HB3      LYS  13  17.645  10.746   6.028
  117    HG2  LYS  13           HG2      LYS  13  18.438   8.805   4.997
  118    HG3  LYS  13           HG3      LYS  13  18.894   8.637   6.694
  119    HD2  LYS  13           HD2      LYS  13  16.931   7.212   7.070
  120    HD3  LYS  13           HD3      LYS  13  16.497   7.369   5.366
  121    HE2  LYS  13           HE2      LYS  13  17.618   5.357   5.372
  122    HE3  LYS  13           HE3      LYS  13  18.915   6.478   4.961
  123    HZ1  LYS  13           HZ1      LYS  13  19.480   4.815   6.705
  124    HZ2  LYS  13           HZ2      LYS  13  18.360   5.565   7.727
  125    HZ3  LYS  13           HZ3      LYS  13  19.712   6.423   7.180
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   2.020  -2.039   0.374
    2    HA2  GLY   1           HA2      GLY   1   1.748  -0.351  -1.608
    3    HA3  GLY   1           HA3      GLY   1   1.722   0.802  -0.283
    4    H    LEU   2           H        LEU   2   3.634   0.636  -2.442
    5    HA   LEU   2           HA       LEU   2   6.070  -0.333  -1.162
    6    HB2  LEU   2           HB2      LEU   2   5.718  -0.861  -3.511
    7    HB3  LEU   2           HB3      LEU   2   5.597   0.856  -3.892
    8    HG   LEU   2           HG       LEU   2   7.788  -0.391  -4.427
    9   HD11  LEU   2          HD11      LEU   2   7.177   2.248  -3.824
   10   HD12  LEU   2          HD12      LEU   2   8.617   1.658  -4.654
   11   HD13  LEU   2          HD13      LEU   2   8.648   1.914  -2.910
   12   HD21  LEU   2          HD21      LEU   2   8.006  -1.489  -2.244
   13   HD22  LEU   2          HD22      LEU   2   8.173   0.088  -1.473
   14   HD23  LEU   2          HD23      LEU   2   9.400  -0.472  -2.610
   15    H    THR   3           H        THR   3   4.797   2.684  -2.551
   16    HA   THR   3           HA       THR   3   6.871   4.400  -2.067
   17    HB   THR   3           HB       THR   3   4.932   5.217  -3.205
   18    HG1  THR   3           HG1      THR   3   4.609   7.169  -2.037
   19   HG21  THR   3          HG21      THR   3   3.434   4.830  -0.610
   20   HG22  THR   3          HG22      THR   3   3.236   3.869  -2.075
   21   HG23  THR   3          HG23      THR   3   2.785   5.573  -2.071
   22    H    TRP   4           H        TRP   4   4.613   3.058   0.249
   23    HA   TRP   4           HA       TRP   4   4.964   4.733   2.414
   24    HB2  TRP   4           HB2      TRP   4   3.527   2.543   2.086
   25    HB3  TRP   4           HB3      TRP   4   4.903   1.779   2.876
   26    HD1  TRP   4           HD1      TRP   4   2.379   4.642   3.562
   27    HE1  TRP   4           HE1      TRP   4   1.993   4.764   6.103
   28    HE3  TRP   4           HE3      TRP   4   5.722   1.077   5.063
   29    HZ2  TRP   4           HZ2      TRP   4   2.976   3.515   8.436
   30    HZ3  TRP   4           HZ3      TRP   4   5.938   0.601   7.467
   31    HH2  TRP   4           HH2      TRP   4   4.593   1.797   9.117
   32    H    PHE   5           H        PHE   5   7.010   2.050   1.346
   33    HA   PHE   5           HA       PHE   5   8.763   1.874   3.465
   34    HB2  PHE   5           HB2      PHE   5   8.915   1.296   0.566
   35    HB3  PHE   5           HB3      PHE   5  10.458   1.460   1.398
   36    HD1  PHE   5           HD1      PHE   5  10.227   0.238   3.899
   37    HD2  PHE   5           HD2      PHE   5   8.320  -0.888   0.264
   38    HE1  PHE   5           HE1      PHE   5  10.029  -2.072   4.723
   39    HE2  PHE   5           HE2      PHE   5   8.117  -3.200   1.083
   40    HZ   PHE   5           HZ       PHE   5   8.972  -3.794   3.315
   41    H    ILE   6           H        ILE   6   9.664   3.577   0.473
   42    HA   ILE   6           HA       ILE   6  11.769   5.023   1.534
   43    HB   ILE   6           HB       ILE   6   9.933   5.875  -0.708
   44   HG12  ILE   6          HG12      ILE   6  12.618   4.541  -0.979
   45   HG13  ILE   6          HG13      ILE   6  11.138   3.599  -0.829
   46   HG21  ILE   6          HG21      ILE   6  11.270   7.728   0.137
   47   HG22  ILE   6          HG22      ILE   6  12.735   6.762  -0.037
   48   HG23  ILE   6          HG23      ILE   6  11.818   7.238  -1.466
   49   HD11  ILE   6          HD11      ILE   6  12.185   5.126  -3.098
   50   HD12  ILE   6          HD12      ILE   6  11.140   3.705  -3.062
   51   HD13  ILE   6          HD13      ILE   6  10.456   5.310  -2.807
   52    H    ASN   7           H        ASN   7   8.355   5.949   1.281
   53    HA   ASN   7           HA       ASN   7   8.494   8.565   2.144
   54    HB2  ASN   7           HB2      ASN   7   6.422   6.443   2.222
   55    HB3  ASN   7           HB3      ASN   7   6.169   7.824   3.285
   56   HD21  ASN   7          HD21      ASN   7   7.566   7.548   0.040
   57   HD22  ASN   7          HD22      ASN   7   6.479   8.662  -0.709
   58    H    LYS   8           H        LYS   8   8.124   5.647   4.147
   59    HA   LYS   8           HA       LYS   8   8.180   7.022   6.622
   60    HB2  LYS   8           HB2      LYS   8   8.728   4.139   5.912
   61    HB3  LYS   8           HB3      LYS   8   8.676   4.736   7.566
   62    HG2  LYS   8           HG2      LYS   8   6.395   4.917   5.610
   63    HG3  LYS   8           HG3      LYS   8   6.577   3.662   6.837
   64    HD2  LYS   8           HD2      LYS   8   5.807   5.002   8.451
   65    HD3  LYS   8           HD3      LYS   8   6.846   6.335   7.943
   66    HE2  LYS   8           HE2      LYS   8   4.573   5.754   6.166
   67    HE3  LYS   8           HE3      LYS   8   4.143   6.347   7.769
   68    HZ1  LYS   8           HZ1      LYS   8   4.434   8.128   6.116
   69    HZ2  LYS   8           HZ2      LYS   8   6.058   7.690   5.941
   70    HZ3  LYS   8           HZ3      LYS   8   5.496   8.279   7.424
   71    H    PHE   9           H        PHE   9  10.673   5.498   4.646
   72    HA   PHE   9           HA       PHE   9  12.781   5.651   6.494
   73    HB2  PHE   9           HB2      PHE   9  12.525   5.270   3.572
   74    HB3  PHE   9           HB3      PHE   9  14.081   5.877   4.128
   75    HD1  PHE   9           HD1      PHE   9  12.334   3.005   3.348
   76    HD2  PHE   9           HD2      PHE   9  14.960   4.564   6.313
   77    HE1  PHE   9           HE1      PHE   9  13.002   0.716   3.955
   78    HE2  PHE   9           HE2      PHE   9  15.633   2.278   6.924
   79    HZ   PHE   9           HZ       PHE   9  14.654   0.350   5.744
   80    H    ARG  10           H        ARG  10  11.510   7.981   4.184
   81    HA   ARG  10           HA       ARG  10  13.526   9.873   4.185
   82    HB2  ARG  10           HB2      ARG  10  10.751   9.767   3.452
   83    HB3  ARG  10           HB3      ARG  10  11.085  11.297   4.252
   84    HG2  ARG  10           HG2      ARG  10  11.442  11.721   1.987
   85    HG3  ARG  10           HG3      ARG  10  13.061  11.508   2.657
   86    HD2  ARG  10           HD2      ARG  10  11.565   9.209   1.446
   87    HD3  ARG  10           HD3      ARG  10  12.475  10.334   0.439
   88    HE   ARG  10           HE       ARG  10  13.544   8.324   2.205
   89   HH11  ARG  10          HH11      ARG  10  14.169  11.297   0.505
   90   HH12  ARG  10          HH12      ARG  10  15.888  11.077   0.486
   91   HH21  ARG  10          HH21      ARG  10  15.805   8.023   2.186
   92   HH22  ARG  10          HH22      ARG  10  16.817   9.214   1.442
   93    H    ILE  11           H        ILE  11  10.939   9.380   6.541
   94    HA   ILE  11           HA       ILE  11  11.549  11.681   8.101
   95    HB   ILE  11           HB       ILE  11  10.065   9.173   8.895
   96   HG12  ILE  11          HG12      ILE  11   8.273  11.286   8.613
   97   HG13  ILE  11          HG13      ILE  11   9.364  11.464   7.243
   98   HG21  ILE  11          HG21      ILE  11  10.376  10.061  10.947
   99   HG22  ILE  11          HG22      ILE  11  10.709  11.673  10.316
  100   HG23  ILE  11          HG23      ILE  11   9.044  11.109  10.457
  101   HD11  ILE  11          HD11      ILE  11   7.893  10.059   6.285
  102   HD12  ILE  11          HD12      ILE  11   8.878   8.837   7.089
  103   HD13  ILE  11          HD13      ILE  11   7.370   9.379   7.825
  104    H    VAL  12           H        VAL  12  12.568   8.317   8.174
  105    HA   VAL  12           HA       VAL  12  13.872   8.427  10.695
  106    HB   VAL  12           HB       VAL  12  14.455   6.557   8.396
  107   HG11  VAL  12          HG11      VAL  12  14.790   5.260  10.841
  108   HG12  VAL  12          HG12      VAL  12  16.058   5.787   9.733
  109   HG13  VAL  12          HG13      VAL  12  15.543   6.840  11.051
  110   HG21  VAL  12          HG21      VAL  12  12.060   6.602   9.059
  111   HG22  VAL  12          HG22      VAL  12  12.844   5.048   9.347
  112   HG23  VAL  12          HG23      VAL  12  12.545   6.149  10.693
  113    H    LYS  13           H        LYS  13  14.913   9.000   7.378
  114    HA   LYS  13           HA       LYS  13  17.679   9.347   8.122
  115    HB2  LYS  13           HB2      LYS  13  16.106   9.468   5.594
  116    HB3  LYS  13           HB3      LYS  13  17.641  10.324   5.645
  117    HG2  LYS  13           HG2      LYS  13  18.128   8.207   4.764
  118    HG3  LYS  13           HG3      LYS  13  18.668   8.150   6.443
  119    HD2  LYS  13           HD2      LYS  13  16.434   7.112   6.999
  120    HD3  LYS  13           HD3      LYS  13  16.166   6.960   5.261
  121    HE2  LYS  13           HE2      LYS  13  17.076   4.911   5.692
  122    HE3  LYS  13           HE3      LYS  13  18.546   5.823   5.347
  123    HZ1  LYS  13           HZ1      LYS  13  17.897   6.066   8.080
  124    HZ2  LYS  13           HZ2      LYS  13  19.281   5.397   7.376
  125    HZ3  LYS  13           HZ3      LYS  13  17.925   4.427   7.662
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   1.733   1.508   0.598
    2    HA2  GLY   1           HA2      GLY   1   1.482  -0.966  -0.736
    3    HA3  GLY   1           HA3      GLY   1   1.584   0.321  -1.929
    4    H    LEU   2           H        LEU   2   3.558   0.703  -2.657
    5    HA   LEU   2           HA       LEU   2   5.853  -0.233  -1.124
    6    HB2  LEU   2           HB2      LEU   2   5.633  -0.808  -3.511
    7    HB3  LEU   2           HB3      LEU   2   5.713   0.907  -3.912
    8    HG   LEU   2           HG       LEU   2   7.823  -0.518  -4.221
    9   HD11  LEU   2          HD11      LEU   2   7.405   2.175  -3.451
   10   HD12  LEU   2          HD12      LEU   2   8.728   1.495  -4.398
   11   HD13  LEU   2          HD13      LEU   2   8.865   1.602  -2.643
   12   HD21  LEU   2          HD21      LEU   2   9.097  -1.122  -2.397
   13   HD22  LEU   2          HD22      LEU   2   7.465  -1.464  -1.821
   14   HD23  LEU   2          HD23      LEU   2   8.287   0.014  -1.318
   15    H    THR   3           H        THR   3   4.451   2.742  -2.354
   16    HA   THR   3           HA       THR   3   6.524   4.526  -2.012
   17    HB   THR   3           HB       THR   3   4.381   5.185  -2.987
   18    HG1  THR   3           HG1      THR   3   4.524   7.218  -2.238
   19   HG21  THR   3          HG21      THR   3   2.934   3.926  -1.416
   20   HG22  THR   3          HG22      THR   3   2.427   5.603  -1.620
   21   HG23  THR   3          HG23      THR   3   3.301   5.116  -0.168
   22    H    TRP   4           H        TRP   4   4.444   3.078   0.414
   23    HA   TRP   4           HA       TRP   4   4.900   4.708   2.590
   24    HB2  TRP   4           HB2      TRP   4   3.477   2.520   2.325
   25    HB3  TRP   4           HB3      TRP   4   4.924   1.732   2.948
   26    HD1  TRP   4           HD1      TRP   4   2.362   4.436   3.993
   27    HE1  TRP   4           HE1      TRP   4   2.250   4.476   6.565
   28    HE3  TRP   4           HE3      TRP   4   6.079   1.079   5.021
   29    HZ2  TRP   4           HZ2      TRP   4   3.564   3.248   8.740
   30    HZ3  TRP   4           HZ3      TRP   4   6.589   0.568   7.373
   31    HH2  TRP   4           HH2      TRP   4   5.357   1.631   9.193
   32    H    PHE   5           H        PHE   5   6.898   2.016   1.422
   33    HA   PHE   5           HA       PHE   5   8.802   1.935   3.416
   34    HB2  PHE   5           HB2      PHE   5   8.712   1.192   0.564
   35    HB3  PHE   5           HB3      PHE   5  10.327   1.452   1.213
   36    HD1  PHE   5           HD1      PHE   5  10.402   0.392   3.796
   37    HD2  PHE   5           HD2      PHE   5   8.164  -1.024   0.463
   38    HE1  PHE   5           HE1      PHE   5  10.371  -1.864   4.779
   39    HE2  PHE   5           HE2      PHE   5   8.130  -3.281   1.441
   40    HZ   PHE   5           HZ       PHE   5   9.233  -3.703   3.602
   41    H    ILE   6           H        ILE   6   9.363   3.572   0.300
   42    HA   ILE   6           HA       ILE   6  11.584   5.030   1.078
   43    HB   ILE   6           HB       ILE   6   9.490   5.838  -0.943
   44   HG12  ILE   6          HG12      ILE   6  10.472   3.627  -1.385
   45   HG13  ILE   6          HG13      ILE   6  10.987   4.806  -2.587
   46   HG21  ILE   6          HG21      ILE   6  10.853   7.734  -0.347
   47   HG22  ILE   6          HG22      ILE   6  12.324   6.783  -0.549
   48   HG23  ILE   6          HG23      ILE   6  11.321   7.164  -1.949
   49   HD11  ILE   6          HD11      ILE   6  12.892   4.837  -0.504
   50   HD12  ILE   6          HD12      ILE   6  12.575   3.152  -0.919
   51   HD13  ILE   6          HD13      ILE   6  13.089   4.287  -2.167
   52    H    ASN   7           H        ASN   7   8.165   5.987   1.174
   53    HA   ASN   7           HA       ASN   7   8.416   8.604   1.998
   54    HB2  ASN   7           HB2      ASN   7   6.346   6.502   2.310
   55    HB3  ASN   7           HB3      ASN   7   6.218   7.892   3.385
   56   HD21  ASN   7          HD21      ASN   7   7.306   7.637   0.027
   57   HD22  ASN   7          HD22      ASN   7   6.139   8.737  -0.616
   58    H    LYS   8           H        LYS   8   8.242   5.706   4.055
   59    HA   LYS   8           HA       LYS   8   8.535   7.077   6.506
   60    HB2  LYS   8           HB2      LYS   8   9.099   4.210   5.739
   61    HB3  LYS   8           HB3      LYS   8   9.188   4.809   7.390
   62    HG2  LYS   8           HG2      LYS   8   6.715   4.988   5.689
   63    HG3  LYS   8           HG3      LYS   8   7.057   3.651   6.790
   64    HD2  LYS   8           HD2      LYS   8   6.638   4.892   8.640
   65    HD3  LYS   8           HD3      LYS   8   7.282   6.371   7.923
   66    HE2  LYS   8           HE2      LYS   8   5.043   5.861   6.405
   67    HE3  LYS   8           HE3      LYS   8   4.545   5.371   8.023
   68    HZ1  LYS   8           HZ1      LYS   8   5.842   7.743   8.401
   69    HZ2  LYS   8           HZ2      LYS   8   4.166   7.515   8.387
   70    HZ3  LYS   8           HZ3      LYS   8   4.966   7.993   6.975
   71    H    PHE   9           H        PHE   9  10.871   5.532   4.342
   72    HA   PHE   9           HA       PHE   9  13.150   5.696   5.901
   73    HB2  PHE   9           HB2      PHE   9  12.567   5.509   3.024
   74    HB3  PHE   9           HB3      PHE   9  14.131   6.225   3.401
   75    HD1  PHE   9           HD1      PHE   9  12.260   3.203   3.101
   76    HD2  PHE   9           HD2      PHE   9  15.698   4.928   4.923
   77    HE1  PHE   9           HE1      PHE   9  13.196   0.955   3.453
   78    HE2  PHE   9           HE2      PHE   9  16.640   2.683   5.278
   79    HZ   PHE   9           HZ       PHE   9  15.390   0.693   4.542
   80    H    ARG  10           H        ARG  10  11.556   8.189   4.008
   81    HA   ARG  10           HA       ARG  10  13.607  10.126   4.150
   82    HB2  ARG  10           HB2      ARG  10  10.620  10.434   3.811
   83    HB3  ARG  10           HB3      ARG  10  11.775  11.748   3.630
   84    HG2  ARG  10           HG2      ARG  10  11.615   9.254   1.951
   85    HG3  ARG  10           HG3      ARG  10  11.163  10.890   1.466
   86    HD2  ARG  10           HD2      ARG  10  13.260  10.782   0.567
   87    HD3  ARG  10           HD3      ARG  10  13.650  11.413   2.167
   88    HE   ARG  10           HE       ARG  10  13.797   8.709   2.460
   89   HH11  ARG  10          HH11      ARG  10  15.269  11.022   0.314
   90   HH12  ARG  10          HH12      ARG  10  16.724  10.104   0.112
   91   HH21  ARG  10          HH21      ARG  10  15.708   7.491   2.202
   92   HH22  ARG  10          HH22      ARG  10  16.972   8.095   1.186
   93    H    ILE  11           H        ILE  11  11.060   9.185   6.345
   94    HA   ILE  11           HA       ILE  11  11.459  11.478   8.071
   95    HB   ILE  11           HB       ILE  11   9.909   9.061   8.906
   96   HG12  ILE  11          HG12      ILE  11   9.174   9.409   6.625
   97   HG13  ILE  11          HG13      ILE  11   7.927   9.992   7.721
   98   HG21  ILE  11          HG21      ILE  11   8.416  10.997   9.742
   99   HG22  ILE  11          HG22      ILE  11   9.934  10.669  10.577
  100   HG23  ILE  11          HG23      ILE  11   9.829  12.005   9.431
  101   HD11  ILE  11          HD11      ILE  11   9.959  11.755   6.379
  102   HD12  ILE  11          HD12      ILE  11   8.328  11.461   5.773
  103   HD13  ILE  11          HD13      ILE  11   8.561  12.264   7.326
  104    H    VAL  12           H        VAL  12  11.884   7.950   8.349
  105    HA   VAL  12           HA       VAL  12  13.015   7.833  10.862
  106    HB   VAL  12           HB       VAL  12  13.765   6.129   8.482
  107   HG11  VAL  12          HG11      VAL  12  15.385   5.704  10.116
  108   HG12  VAL  12          HG12      VAL  12  14.218   5.828  11.434
  109   HG13  VAL  12          HG13      VAL  12  14.185   4.434  10.353
  110   HG21  VAL  12          HG21      VAL  12  12.052   4.595   9.260
  111   HG22  VAL  12          HG22      VAL  12  11.653   5.682  10.591
  112   HG23  VAL  12          HG23      VAL  12  11.346   6.177   8.926
  113    H    LYS  13           H        LYS  13  14.519   8.673   7.798
  114    HA   LYS  13           HA       LYS  13  17.203   8.604   8.674
  115    HB2  LYS  13           HB2      LYS  13  15.731   9.581   6.330
  116    HB3  LYS  13           HB3      LYS  13  17.182  10.506   6.694
  117    HG2  LYS  13           HG2      LYS  13  17.716   8.769   5.129
  118    HG3  LYS  13           HG3      LYS  13  18.484   8.409   6.677
  119    HD2  LYS  13           HD2      LYS  13  16.103   7.130   6.956
  120    HD3  LYS  13           HD3      LYS  13  16.382   6.958   5.222
  121    HE2  LYS  13           HE2      LYS  13  17.362   5.063   6.249
  122    HE3  LYS  13           HE3      LYS  13  18.692   6.128   5.797
  123    HZ1  LYS  13           HZ1      LYS  13  19.346   6.151   7.896
  124    HZ2  LYS  13           HZ2      LYS  13  18.081   5.114   8.326
  125    HZ3  LYS  13           HZ3      LYS  13  17.859   6.790   8.390
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   1.083   0.780   1.119
    2    HA2  GLY   1           HA2      GLY   1   2.259  -1.365   0.300
    3    HA3  GLY   1           HA3      GLY   1   1.988  -0.107  -0.897
    4    H    LEU   2           H        LEU   2   3.701   0.286  -2.111
    5    HA   LEU   2           HA       LEU   2   6.353  -0.423  -1.141
    6    HB2  LEU   2           HB2      LEU   2   5.573  -1.113  -3.392
    7    HB3  LEU   2           HB3      LEU   2   5.507   0.587  -3.852
    8    HG   LEU   2           HG       LEU   2   7.526  -0.779  -4.613
    9   HD11  LEU   2          HD11      LEU   2   7.228   1.911  -3.816
   10   HD12  LEU   2          HD12      LEU   2   8.351   1.239  -4.999
   11   HD13  LEU   2          HD13      LEU   2   8.836   1.391  -3.310
   12   HD21  LEU   2          HD21      LEU   2   9.278  -1.183  -3.088
   13   HD22  LEU   2          HD22      LEU   2   7.821  -1.808  -2.316
   14   HD23  LEU   2          HD23      LEU   2   8.488  -0.254  -1.813
   15    H    THR   3           H        THR   3   4.467   2.396  -1.986
   16    HA   THR   3           HA       THR   3   6.619   4.248  -2.065
   17    HB   THR   3           HB       THR   3   4.558   4.865  -3.125
   18    HG1  THR   3           HG1      THR   3   4.534   6.905  -2.395
   19   HG21  THR   3          HG21      THR   3   2.594   4.258  -2.267
   20   HG22  THR   3          HG22      THR   3   2.816   5.428  -0.966
   21   HG23  THR   3          HG23      THR   3   3.379   3.769  -0.767
   22    H    TRP   4           H        TRP   4   4.637   2.935   0.493
   23    HA   TRP   4           HA       TRP   4   5.121   4.838   2.488
   24    HB2  TRP   4           HB2      TRP   4   3.959   2.220   2.312
   25    HB3  TRP   4           HB3      TRP   4   5.010   2.292   3.724
   26    HD1  TRP   4           HD1      TRP   4   1.618   2.387   3.401
   27    HE1  TRP   4           HE1      TRP   4   0.425   4.128   4.874
   28    HE3  TRP   4           HE3      TRP   4   5.593   5.429   4.442
   29    HZ2  TRP   4           HZ2      TRP   4   1.082   6.480   6.289
   30    HZ3  TRP   4           HZ3      TRP   4   5.226   7.404   5.863
   31    HH2  TRP   4           HH2      TRP   4   3.016   7.917   6.766
   32    H    PHE   5           H        PHE   5   7.043   2.131   1.349
   33    HA   PHE   5           HA       PHE   5   8.875   1.843   3.386
   34    HB2  PHE   5           HB2      PHE   5   8.886   1.372   0.472
   35    HB3  PHE   5           HB3      PHE   5  10.476   1.528   1.212
   36    HD1  PHE   5           HD1      PHE   5  10.400   0.228   3.688
   37    HD2  PHE   5           HD2      PHE   5   8.307  -0.812   0.130
   38    HE1  PHE   5           HE1      PHE   5  10.276  -2.109   4.447
   39    HE2  PHE   5           HE2      PHE   5   8.179  -3.150   0.884
   40    HZ   PHE   5           HZ       PHE   5   9.164  -3.801   3.046
   41    H    ILE   6           H        ILE   6   9.496   3.799   0.468
   42    HA   ILE   6           HA       ILE   6  11.702   5.160   1.570
   43    HB   ILE   6           HB       ILE   6   9.906   6.007  -0.706
   44   HG12  ILE   6          HG12      ILE   6  10.972   3.808  -1.040
   45   HG13  ILE   6          HG13      ILE   6  11.613   5.016  -2.149
   46   HG21  ILE   6          HG21      ILE   6  11.087   7.928  -0.030
   47   HG22  ILE   6          HG22      ILE   6  12.572   7.017   0.241
   48   HG23  ILE   6          HG23      ILE   6  11.988   7.282  -1.401
   49   HD11  ILE   6          HD11      ILE   6  13.587   5.263  -0.755
   50   HD12  ILE   6          HD12      ILE   6  12.941   4.081   0.383
   51   HD13  ILE   6          HD13      ILE   6  13.367   3.587  -1.256
   52    H    ASN   7           H        ASN   7   8.277   6.016   1.325
   53    HA   ASN   7           HA       ASN   7   8.372   8.646   2.176
   54    HB2  ASN   7           HB2      ASN   7   6.342   6.500   2.176
   55    HB3  ASN   7           HB3      ASN   7   6.059   7.802   3.328
   56   HD21  ASN   7          HD21      ASN   7   7.251   7.546  -0.008
   57   HD22  ASN   7          HD22      ASN   7   6.213   8.769  -0.650
   58    H    LYS   8           H        LYS   8   8.244   5.689   4.125
   59    HA   LYS   8           HA       LYS   8   8.234   7.094   6.621
   60    HB2  LYS   8           HB2      LYS   8   8.244   4.285   5.729
   61    HB3  LYS   8           HB3      LYS   8   9.051   4.576   7.264
   62    HG2  LYS   8           HG2      LYS   8   7.129   4.978   8.344
   63    HG3  LYS   8           HG3      LYS   8   6.434   5.872   6.989
   64    HD2  LYS   8           HD2      LYS   8   6.030   3.716   5.835
   65    HD3  LYS   8           HD3      LYS   8   6.622   2.872   7.268
   66    HE2  LYS   8           HE2      LYS   8   4.354   4.839   7.390
   67    HE3  LYS   8           HE3      LYS   8   4.095   3.136   7.018
   68    HZ1  LYS   8           HZ1      LYS   8   3.838   3.134   9.272
   69    HZ2  LYS   8           HZ2      LYS   8   4.951   4.381   9.531
   70    HZ3  LYS   8           HZ3      LYS   8   5.498   2.819   9.181
   71    H    PHE   9           H        PHE   9  10.678   5.499   4.637
   72    HA   PHE   9           HA       PHE   9  12.806   5.629   6.462
   73    HB2  PHE   9           HB2      PHE   9  12.521   5.241   3.541
   74    HB3  PHE   9           HB3      PHE   9  14.095   5.803   4.093
   75    HD1  PHE   9           HD1      PHE   9  12.371   2.986   3.230
   76    HD2  PHE   9           HD2      PHE   9  14.833   4.466   6.371
   77    HE1  PHE   9           HE1      PHE   9  12.973   0.680   3.841
   78    HE2  PHE   9           HE2      PHE   9  15.439   2.163   6.986
   79    HZ   PHE   9           HZ       PHE   9  14.510   0.266   5.720
   80    H    ARG  10           H        ARG  10  11.532   7.975   4.178
   81    HA   ARG  10           HA       ARG  10  13.590   9.825   4.125
   82    HB2  ARG  10           HB2      ARG  10  10.813   9.762   3.422
   83    HB3  ARG  10           HB3      ARG  10  11.162  11.282   4.235
   84    HG2  ARG  10           HG2      ARG  10  11.490  11.701   1.954
   85    HG3  ARG  10           HG3      ARG  10  13.110  11.527   2.633
   86    HD2  ARG  10           HD2      ARG  10  11.651   9.217   1.387
   87    HD3  ARG  10           HD3      ARG  10  12.611  10.338   0.424
   88    HE   ARG  10           HE       ARG  10  13.589   8.309   2.220
   89   HH11  ARG  10          HH11      ARG  10  14.310  11.285   0.564
   90   HH12  ARG  10          HH12      ARG  10  16.025  11.049   0.614
   91   HH21  ARG  10          HH21      ARG  10  15.846   7.987   2.291
   92   HH22  ARG  10          HH22      ARG  10  16.898   9.172   1.595
   93    H    ILE  11           H        ILE  11  10.986   9.458   6.498
   94    HA   ILE  11           HA       ILE  11  11.669  11.733   8.041
   95    HB   ILE  11           HB       ILE  11  10.186   9.241   8.885
   96   HG12  ILE  11          HG12      ILE  11   8.449  11.440   8.610
   97   HG13  ILE  11          HG13      ILE  11   9.474  11.458   7.179
   98   HG21  ILE  11          HG21      ILE  11  10.543  11.921  10.195
   99   HG22  ILE  11          HG22      ILE  11   9.212  10.839  10.599
  100   HG23  ILE  11          HG23      ILE  11  10.877  10.322  10.860
  101   HD11  ILE  11          HD11      ILE  11   8.881   8.932   7.058
  102   HD12  ILE  11          HD12      ILE  11   7.526   9.397   8.087
  103   HD13  ILE  11          HD13      ILE  11   7.725  10.140   6.501
  104    H    VAL  12           H        VAL  12  12.685   8.371   8.108
  105    HA   VAL  12           HA       VAL  12  14.016   8.460  10.609
  106    HB   VAL  12           HB       VAL  12  14.623   6.642   8.274
  107   HG11  VAL  12          HG11      VAL  12  15.212   5.103  10.266
  108   HG12  VAL  12          HG12      VAL  12  16.362   6.352   9.786
  109   HG13  VAL  12          HG13      VAL  12  15.318   6.603  11.186
  110   HG21  VAL  12          HG21      VAL  12  13.027   5.098   9.184
  111   HG22  VAL  12          HG22      VAL  12  12.713   6.159  10.557
  112   HG23  VAL  12          HG23      VAL  12  12.222   6.647   8.935
  113    H    LYS  13           H        LYS  13  15.086   8.984   7.277
  114    HA   LYS  13           HA       LYS  13  17.833   9.363   7.985
  115    HB2  LYS  13           HB2      LYS  13  16.199   9.629   5.509
  116    HB3  LYS  13           HB3      LYS  13  17.740  10.476   5.567
  117    HG2  LYS  13           HG2      LYS  13  18.201   8.412   4.563
  118    HG3  LYS  13           HG3      LYS  13  18.770   8.253   6.226
  119    HD2  LYS  13           HD2      LYS  13  16.586   7.166   6.781
  120    HD3  LYS  13           HD3      LYS  13  16.205   7.181   5.058
  121    HE2  LYS  13           HE2      LYS  13  17.093   5.074   5.299
  122    HE3  LYS  13           HE3      LYS  13  18.524   5.995   4.838
  123    HZ1  LYS  13           HZ1      LYS  13  19.467   5.665   6.823
  124    HZ2  LYS  13           HZ2      LYS  13  18.357   4.401   6.996
  125    HZ3  LYS  13           HZ3      LYS  13  18.029   5.914   7.679
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   1.374  -1.508   2.009
    2    HA2  GLY   1           HA2      GLY   1   1.942  -0.758  -0.352
    3    HA3  GLY   1           HA3      GLY   1   2.149   0.476   0.882
    4    H    LEU   2           H        LEU   2   3.512   0.083  -1.714
    5    HA   LEU   2           HA       LEU   2   6.243  -0.566  -0.939
    6    HB2  LEU   2           HB2      LEU   2   5.288  -1.347  -3.092
    7    HB3  LEU   2           HB3      LEU   2   5.168   0.333  -3.608
    8    HG   LEU   2           HG       LEU   2   7.133  -1.046  -4.480
    9   HD11  LEU   2          HD11      LEU   2   6.874   1.669  -3.760
   10   HD12  LEU   2          HD12      LEU   2   7.903   0.962  -5.005
   11   HD13  LEU   2          HD13      LEU   2   8.522   1.180  -3.369
   12   HD21  LEU   2          HD21      LEU   2   8.962  -1.471  -3.107
   13   HD22  LEU   2          HD22      LEU   2   7.586  -1.927  -2.103
   14   HD23  LEU   2          HD23      LEU   2   8.394  -0.380  -1.844
   15    H    THR   3           H        THR   3   4.259   2.200  -1.723
   16    HA   THR   3           HA       THR   3   6.370   4.070  -2.055
   17    HB   THR   3           HB       THR   3   4.108   4.510  -2.907
   18    HG1  THR   3           HG1      THR   3   5.377   6.327  -2.524
   19   HG21  THR   3          HG21      THR   3   2.831   3.505  -1.067
   20   HG22  THR   3          HG22      THR   3   2.312   5.161  -1.381
   21   HG23  THR   3          HG23      THR   3   3.348   4.808   0.002
   22    H    TRP   4           H        TRP   4   4.625   2.844   0.714
   23    HA   TRP   4           HA       TRP   4   5.260   4.817   2.590
   24    HB2  TRP   4           HB2      TRP   4   4.128   2.182   2.610
   25    HB3  TRP   4           HB3      TRP   4   5.302   2.313   3.916
   26    HD1  TRP   4           HD1      TRP   4   1.894   2.359   3.902
   27    HE1  TRP   4           HE1      TRP   4   0.816   4.134   5.422
   28    HE3  TRP   4           HE3      TRP   4   5.904   5.478   4.477
   29    HZ2  TRP   4           HZ2      TRP   4   1.566   6.539   6.695
   30    HZ3  TRP   4           HZ3      TRP   4   5.640   7.495   5.861
   31    HH2  TRP   4           HH2      TRP   4   3.515   8.013   6.946
   32    H    PHE   5           H        PHE   5   7.115   2.085   1.393
   33    HA   PHE   5           HA       PHE   5   9.125   1.904   3.264
   34    HB2  PHE   5           HB2      PHE   5   8.883   1.315   0.383
   35    HB3  PHE   5           HB3      PHE   5  10.531   1.527   0.965
   36    HD1  PHE   5           HD1      PHE   5  10.707   0.330   3.488
   37    HD2  PHE   5           HD2      PHE   5   8.319  -0.890   0.183
   38    HE1  PHE   5           HE1      PHE   5  10.700  -1.975   4.349
   39    HE2  PHE   5           HE2      PHE   5   8.307  -3.197   1.038
   40    HZ   PHE   5           HZ       PHE   5   9.498  -3.742   3.124
   41    H    ILE   6           H        ILE   6   9.422   3.774   0.239
   42    HA   ILE   6           HA       ILE   6  11.709   5.194   1.072
   43    HB   ILE   6           HB       ILE   6   9.689   5.998  -1.025
   44   HG12  ILE   6          HG12      ILE   6  12.259   4.423  -1.297
   45   HG13  ILE   6          HG13      ILE   6  10.637   3.746  -1.396
   46   HG21  ILE   6          HG21      ILE   6  11.120   7.845  -0.362
   47   HG22  ILE   6          HG22      ILE   6  12.552   6.847  -0.608
   48   HG23  ILE   6          HG23      ILE   6  11.542   7.293  -1.983
   49   HD11  ILE   6          HD11      ILE   6  12.200   5.195  -3.393
   50   HD12  ILE   6          HD12      ILE   6  10.896   4.024  -3.593
   51   HD13  ILE   6          HD13      ILE   6  10.519   5.714  -3.264
   52    H    ASN   7           H        ASN   7   8.265   6.033   1.094
   53    HA   ASN   7           HA       ASN   7   8.405   8.677   1.867
   54    HB2  ASN   7           HB2      ASN   7   6.356   7.109   1.362
   55    HB3  ASN   7           HB3      ASN   7   6.342   6.898   3.111
   56   HD21  ASN   7          HD21      ASN   7   6.195   9.288   0.538
   57   HD22  ASN   7          HD22      ASN   7   5.312  10.470   1.436
   58    H    LYS   8           H        LYS   8   8.480   5.785   3.917
   59    HA   LYS   8           HA       LYS   8   8.678   7.258   6.359
   60    HB2  LYS   8           HB2      LYS   8   8.677   4.429   5.541
   61    HB3  LYS   8           HB3      LYS   8   9.630   4.776   6.978
   62    HG2  LYS   8           HG2      LYS   8   7.820   5.145   8.242
   63    HG3  LYS   8           HG3      LYS   8   6.975   6.013   6.958
   64    HD2  LYS   8           HD2      LYS   8   6.505   3.829   5.869
   65    HD3  LYS   8           HD3      LYS   8   7.232   3.022   7.260
   66    HE2  LYS   8           HE2      LYS   8   4.952   4.963   7.533
   67    HE3  LYS   8           HE3      LYS   8   4.694   3.244   7.239
   68    HZ1  LYS   8           HZ1      LYS   8   6.529   3.640   9.366
   69    HZ2  LYS   8           HZ2      LYS   8   5.059   2.804   9.366
   70    HZ3  LYS   8           HZ3      LYS   8   5.086   4.467   9.675
   71    H    PHE   9           H        PHE   9  10.983   5.617   4.238
   72    HA   PHE   9           HA       PHE   9  13.269   5.753   5.776
   73    HB2  PHE   9           HB2      PHE   9  12.667   5.566   2.908
   74    HB3  PHE   9           HB3      PHE   9  14.235   6.282   3.262
   75    HD1  PHE   9           HD1      PHE   9  12.629   3.307   2.570
   76    HD2  PHE   9           HD2      PHE   9  15.549   4.944   5.200
   77    HE1  PHE   9           HE1      PHE   9  13.568   1.060   2.921
   78    HE2  PHE   9           HE2      PHE   9  16.493   2.700   5.554
   79    HZ   PHE   9           HZ       PHE   9  15.503   0.754   4.413
   80    H    ARG  10           H        ARG  10  11.695   8.284   3.924
   81    HA   ARG  10           HA       ARG  10  13.800  10.180   4.095
   82    HB2  ARG  10           HB2      ARG  10  10.833  10.536   3.646
   83    HB3  ARG  10           HB3      ARG  10  12.014  11.832   3.508
   84    HG2  ARG  10           HG2      ARG  10  11.877   9.339   1.825
   85    HG3  ARG  10           HG3      ARG  10  11.471  10.981   1.323
   86    HD2  ARG  10           HD2      ARG  10  13.598  10.840   0.504
   87    HD3  ARG  10           HD3      ARG  10  13.939  11.462   2.119
   88    HE   ARG  10           HE       ARG  10  13.994   8.713   2.330
   89   HH11  ARG  10          HH11      ARG  10  15.710  11.163   0.550
   90   HH12  ARG  10          HH12      ARG  10  17.186  10.258   0.473
   91   HH21  ARG  10          HH21      ARG  10  15.931   7.512   2.236
   92   HH22  ARG  10          HH22      ARG  10  17.310   8.181   1.431
   93    H    ILE  11           H        ILE  11  11.114   9.334   6.176
   94    HA   ILE  11           HA       ILE  11  11.456  11.616   7.903
   95    HB   ILE  11           HB       ILE  11   9.846   9.094   8.311
   96   HG12  ILE  11          HG12      ILE  11   8.574  11.728   7.806
   97   HG13  ILE  11          HG13      ILE  11   9.374  10.966   6.436
   98   HG21  ILE  11          HG21      ILE  11   8.754  11.149   9.827
   99   HG22  ILE  11          HG22      ILE  11   9.666   9.764  10.424
  100   HG23  ILE  11          HG23      ILE  11  10.494  11.283  10.082
  101   HD11  ILE  11          HD11      ILE  11   7.970   8.879   7.280
  102   HD12  ILE  11          HD12      ILE  11   6.934  10.167   7.896
  103   HD13  ILE  11          HD13      ILE  11   7.310  10.086   6.175
  104    H    VAL  12           H        VAL  12  12.049   8.117   8.177
  105    HA   VAL  12           HA       VAL  12  13.111   8.071  10.740
  106    HB   VAL  12           HB       VAL  12  13.960   6.346   8.408
  107   HG11  VAL  12          HG11      VAL  12  15.320   5.302   9.816
  108   HG12  VAL  12          HG12      VAL  12  14.920   6.483  11.065
  109   HG13  VAL  12          HG13      VAL  12  13.977   4.999  10.918
  110   HG21  VAL  12          HG21      VAL  12  11.803   5.865  10.461
  111   HG22  VAL  12          HG22      VAL  12  11.521   6.358   8.791
  112   HG23  VAL  12          HG23      VAL  12  12.253   4.791   9.136
  113    H    LYS  13           H        LYS  13  14.655   8.855   7.674
  114    HA   LYS  13           HA       LYS  13  17.290   9.035   8.817
  115    HB2  LYS  13           HB2      LYS  13  16.075   9.445   6.138
  116    HB3  LYS  13           HB3      LYS  13  17.573  10.305   6.472
  117    HG2  LYS  13           HG2      LYS  13  17.945   8.148   5.363
  118    HG3  LYS  13           HG3      LYS  13  18.706   8.230   6.954
  119    HD2  LYS  13           HD2      LYS  13  15.960   7.169   6.925
  120    HD3  LYS  13           HD3      LYS  13  17.162   6.172   6.102
  121    HE2  LYS  13           HE2      LYS  13  18.506   6.779   8.357
  122    HE3  LYS  13           HE3      LYS  13  16.852   6.805   8.968
  123    HZ1  LYS  13           HZ1      LYS  13  17.924   4.611   9.142
  124    HZ2  LYS  13           HZ2      LYS  13  18.048   4.546   7.456
  125    HZ3  LYS  13           HZ3      LYS  13  16.524   4.576   8.191
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   1.551   0.679   0.737
    2    HA2  GLY   1           HA2      GLY   1   1.563  -0.628  -1.652
    3    HA3  GLY   1           HA3      GLY   1   1.748   1.059  -2.110
    4    H    LEU   2           H        LEU   2   3.823   0.871  -2.893
    5    HA   LEU   2           HA       LEU   2   5.897  -0.196  -1.147
    6    HB2  LEU   2           HB2      LEU   2   5.863  -0.775  -3.544
    7    HB3  LEU   2           HB3      LEU   2   6.098   0.926  -3.938
    8    HG   LEU   2           HG       LEU   2   8.126  -0.639  -4.044
    9   HD11  LEU   2          HD11      LEU   2   7.821   2.081  -3.320
   10   HD12  LEU   2          HD12      LEU   2   9.180   1.306  -4.134
   11   HD13  LEU   2          HD13      LEU   2   9.154   1.417  -2.374
   12   HD21  LEU   2          HD21      LEU   2   9.208  -1.261  -2.084
   13   HD22  LEU   2          HD22      LEU   2   7.512  -1.586  -1.726
   14   HD23  LEU   2          HD23      LEU   2   8.283  -0.130  -1.096
   15    H    THR   3           H        THR   3   4.811   2.853  -2.505
   16    HA   THR   3           HA       THR   3   6.953   4.504  -1.984
   17    HB   THR   3           HB       THR   3   4.926   5.273  -3.136
   18    HG1  THR   3           HG1      THR   3   5.868   7.082  -2.533
   19   HG21  THR   3          HG21      THR   3   3.310   4.147  -1.601
   20   HG22  THR   3          HG22      THR   3   2.912   5.831  -1.944
   21   HG23  THR   3          HG23      THR   3   3.650   5.395  -0.403
   22    H    TRP   4           H        TRP   4   4.589   3.201   0.255
   23    HA   TRP   4           HA       TRP   4   4.951   4.809   2.463
   24    HB2  TRP   4           HB2      TRP   4   3.425   2.721   2.091
   25    HB3  TRP   4           HB3      TRP   4   4.772   1.833   2.798
   26    HD1  TRP   4           HD1      TRP   4   2.371   4.730   3.715
   27    HE1  TRP   4           HE1      TRP   4   2.070   4.733   6.271
   28    HE3  TRP   4           HE3      TRP   4   5.678   1.024   4.926
   29    HZ2  TRP   4           HZ2      TRP   4   3.100   3.349   8.505
   30    HZ3  TRP   4           HZ3      TRP   4   5.962   0.425   7.295
   31    HH2  TRP   4           HH2      TRP   4   4.699   1.564   9.047
   32    H    PHE   5           H        PHE   5   6.918   2.052   1.419
   33    HA   PHE   5           HA       PHE   5   8.635   1.884   3.593
   34    HB2  PHE   5           HB2      PHE   5   8.715   1.065   0.762
   35    HB3  PHE   5           HB3      PHE   5  10.292   1.257   1.521
   36    HD1  PHE   5           HD1      PHE   5  10.120   0.270   4.129
   37    HD2  PHE   5           HD2      PHE   5   8.053  -1.120   0.678
   38    HE1  PHE   5           HE1      PHE   5   9.893  -1.950   5.164
   39    HE2  PHE   5           HE2      PHE   5   7.822  -3.342   1.708
   40    HZ   PHE   5           HZ       PHE   5   8.741  -3.760   3.954
   41    H    ILE   6           H        ILE   6   9.508   3.416   0.494
   42    HA   ILE   6           HA       ILE   6  11.762   4.748   1.377
   43    HB   ILE   6           HB       ILE   6   9.826   5.672  -0.749
   44   HG12  ILE   6          HG12      ILE   6  12.401   4.145  -1.123
   45   HG13  ILE   6          HG13      ILE   6  10.845   3.341  -0.951
   46   HG21  ILE   6          HG21      ILE   6  11.241   7.498  -0.155
   47   HG22  ILE   6          HG22      ILE   6  12.669   6.464  -0.154
   48   HG23  ILE   6          HG23      ILE   6  11.846   6.828  -1.670
   49   HD11  ILE   6          HD11      ILE   6  10.221   5.040  -2.904
   50   HD12  ILE   6          HD12      ILE   6  11.949   4.876  -3.213
   51   HD13  ILE   6          HD13      ILE   6  10.916   3.447  -3.201
   52    H    ASN   7           H        ASN   7   8.413   5.932   1.279
   53    HA   ASN   7           HA       ASN   7   8.798   8.529   2.118
   54    HB2  ASN   7           HB2      ASN   7   6.572   6.586   2.261
   55    HB3  ASN   7           HB3      ASN   7   6.475   7.939   3.384
   56   HD21  ASN   7          HD21      ASN   7   4.600   8.584   2.199
   57   HD22  ASN   7          HD22      ASN   7   4.768   9.457   0.718
   58    H    LYS   8           H        LYS   8   8.346   5.642   4.144
   59    HA   LYS   8           HA       LYS   8   8.557   6.991   6.618
   60    HB2  LYS   8           HB2      LYS   8   8.416   4.226   5.685
   61    HB3  LYS   8           HB3      LYS   8   9.428   4.413   7.111
   62    HG2  LYS   8           HG2      LYS   8   7.190   3.899   7.796
   63    HG3  LYS   8           HG3      LYS   8   7.556   5.568   8.240
   64    HD2  LYS   8           HD2      LYS   8   6.478   6.090   5.902
   65    HD3  LYS   8           HD3      LYS   8   5.716   4.516   6.139
   66    HE2  LYS   8           HE2      LYS   8   4.254   5.378   7.575
   67    HE3  LYS   8           HE3      LYS   8   5.548   6.077   8.547
   68    HZ1  LYS   8           HZ1      LYS   8   4.039   7.296   6.329
   69    HZ2  LYS   8           HZ2      LYS   8   5.581   7.867   6.722
   70    HZ3  LYS   8           HZ3      LYS   8   4.344   7.911   7.875
   71    H    PHE   9           H        PHE   9  10.932   5.342   4.579
   72    HA   PHE   9           HA       PHE   9  13.122   5.346   6.257
   73    HB2  PHE   9           HB2      PHE   9  12.692   5.273   3.353
   74    HB3  PHE   9           HB3      PHE   9  14.260   5.918   3.827
   75    HD1  PHE   9           HD1      PHE   9  12.290   2.979   3.357
   76    HD2  PHE   9           HD2      PHE   9  15.706   4.521   5.373
   77    HE1  PHE   9           HE1      PHE   9  13.124   0.688   3.688
   78    HE2  PHE   9           HE2      PHE   9  16.546   2.232   5.706
   79    HZ   PHE   9           HZ       PHE   9  15.256   0.312   4.863
   80    H    ARG  10           H        ARG  10  11.860   7.970   4.262
   81    HA   ARG  10           HA       ARG  10  13.972   9.785   4.643
   82    HB2  ARG  10           HB2      ARG  10  11.041  10.354   4.163
   83    HB3  ARG  10           HB3      ARG  10  12.349  11.515   3.976
   84    HG2  ARG  10           HG2      ARG  10  11.935   9.006   2.365
   85    HG3  ARG  10           HG3      ARG  10  11.683  10.666   1.822
   86    HD2  ARG  10           HD2      ARG  10  13.772  10.333   0.986
   87    HD3  ARG  10           HD3      ARG  10  14.208  10.901   2.597
   88    HE   ARG  10           HE       ARG  10  14.076   8.254   2.968
   89   HH11  ARG  10          HH11      ARG  10  15.623  10.169   0.507
   90   HH12  ARG  10          HH12      ARG  10  16.899   9.028   0.237
   91   HH21  ARG  10          HH21      ARG  10  15.750   6.744   2.623
   92   HH22  ARG  10          HH22      ARG  10  16.970   7.080   1.441
   93    H    ILE  11           H        ILE  11  11.221   8.941   6.622
   94    HA   ILE  11           HA       ILE  11  11.598  11.165   8.433
   95    HB   ILE  11           HB       ILE  11   9.919   8.782   9.105
   96   HG12  ILE  11          HG12      ILE  11   9.335   9.209   6.798
   97   HG13  ILE  11          HG13      ILE  11   8.047   9.825   7.828
   98   HG21  ILE  11          HG21      ILE  11   9.653  11.747   9.578
   99   HG22  ILE  11          HG22      ILE  11   8.478  10.535  10.088
  100   HG23  ILE  11          HG23      ILE  11  10.107  10.522  10.762
  101   HD11  ILE  11          HD11      ILE  11   8.612  11.320   5.953
  102   HD12  ILE  11          HD12      ILE  11   8.827  12.077   7.531
  103   HD13  ILE  11          HD13      ILE  11  10.230  11.509   6.627
  104    H    VAL  12           H        VAL  12  12.110   7.656   8.478
  105    HA   VAL  12           HA       VAL  12  13.041   7.473  11.125
  106    HB   VAL  12           HB       VAL  12  13.750   5.713   8.773
  107   HG11  VAL  12          HG11      VAL  12  14.198   5.476  11.718
  108   HG12  VAL  12          HG12      VAL  12  13.961   4.025  10.742
  109   HG13  VAL  12          HG13      VAL  12  15.296   5.122  10.385
  110   HG21  VAL  12          HG21      VAL  12  11.325   5.914   9.177
  111   HG22  VAL  12          HG22      VAL  12  11.930   4.290   9.499
  112   HG23  VAL  12          HG23      VAL  12  11.576   5.380  10.839
  113    H    LYS  13           H        LYS  13  14.657   8.244   8.107
  114    HA   LYS  13           HA       LYS  13  17.309   7.929   8.794
  115    HB2  LYS  13           HB2      LYS  13  15.807   9.520   6.851
  116    HB3  LYS  13           HB3      LYS  13  17.332  10.260   7.319
  117    HG2  LYS  13           HG2      LYS  13  18.547   8.747   6.208
  118    HG3  LYS  13           HG3      LYS  13  17.524   7.403   6.721
  119    HD2  LYS  13           HD2      LYS  13  16.970   7.383   4.525
  120    HD3  LYS  13           HD3      LYS  13  15.834   8.632   5.039
  121    HE2  LYS  13           HE2      LYS  13  18.456   9.717   4.438
  122    HE3  LYS  13           HE3      LYS  13  17.764   8.859   3.062
  123    HZ1  LYS  13           HZ1      LYS  13  16.822  10.873   2.735
  124    HZ2  LYS  13           HZ2      LYS  13  16.866  11.305   4.369
  125    HZ3  LYS  13           HZ3      LYS  13  15.662  10.261   3.802
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   1.840  -1.906   0.520
    2    HA2  GLY   1           HA2      GLY   1   1.687  -0.567  -1.872
    3    HA3  GLY   1           HA3      GLY   1   1.594   0.694  -0.652
    4    H    LEU   2           H        LEU   2   3.660   0.646  -2.467
    5    HA   LEU   2           HA       LEU   2   5.954  -0.398  -0.959
    6    HB2  LEU   2           HB2      LEU   2   5.863  -1.135  -3.251
    7    HB3  LEU   2           HB3      LEU   2   5.704   0.526  -3.816
    8    HG   LEU   2           HG       LEU   2   7.977  -0.656  -4.059
    9   HD11  LEU   2          HD11      LEU   2   8.514   1.861  -2.677
   10   HD12  LEU   2          HD12      LEU   2   7.232   1.965  -3.883
   11   HD13  LEU   2          HD13      LEU   2   8.833   1.389  -4.346
   12   HD21  LEU   2          HD21      LEU   2   9.275  -1.049  -2.254
   13   HD22  LEU   2          HD22      LEU   2   7.718  -1.180  -1.435
   14   HD23  LEU   2          HD23      LEU   2   8.633   0.326  -1.356
   15    H    THR   3           H        THR   3   4.611   2.526  -2.388
   16    HA   THR   3           HA       THR   3   6.689   4.303  -2.075
   17    HB   THR   3           HB       THR   3   4.729   5.085  -3.159
   18    HG1  THR   3           HG1      THR   3   4.825   7.030  -2.297
   19   HG21  THR   3          HG21      THR   3   2.735   4.326  -2.510
   20   HG22  THR   3          HG22      THR   3   2.799   5.458  -1.159
   21   HG23  THR   3          HG23      THR   3   3.385   3.808  -0.956
   22    H    TRP   4           H        TRP   4   4.557   2.977   0.365
   23    HA   TRP   4           HA       TRP   4   4.936   4.718   2.468
   24    HB2  TRP   4           HB2      TRP   4   3.545   2.508   2.286
   25    HB3  TRP   4           HB3      TRP   4   4.990   1.760   2.961
   26    HD1  TRP   4           HD1      TRP   4   2.446   4.540   3.860
   27    HE1  TRP   4           HE1      TRP   4   2.276   4.661   6.425
   28    HE3  TRP   4           HE3      TRP   4   6.046   1.120   5.074
   29    HZ2  TRP   4           HZ2      TRP   4   3.507   3.466   8.667
   30    HZ3  TRP   4           HZ3      TRP   4   6.489   0.667   7.451
   31    HH2  TRP   4           HH2      TRP   4   5.245   1.817   9.209
   32    H    PHE   5           H        PHE   5   7.019   2.037   1.446
   33    HA   PHE   5           HA       PHE   5   8.868   2.050   3.493
   34    HB2  PHE   5           HB2      PHE   5   8.874   1.235   0.659
   35    HB3  PHE   5           HB3      PHE   5  10.465   1.552   1.344
   36    HD1  PHE   5           HD1      PHE   5  10.497   0.557   3.953
   37    HD2  PHE   5           HD2      PHE   5   8.382  -0.995   0.601
   38    HE1  PHE   5           HE1      PHE   5  10.495  -1.674   4.991
   39    HE2  PHE   5           HE2      PHE   5   8.375  -3.228   1.634
   40    HZ   PHE   5           HZ       PHE   5   9.432  -3.570   3.832
   41    H    ILE   6           H        ILE   6   9.477   3.625   0.354
   42    HA   ILE   6           HA       ILE   6  11.649   5.142   1.121
   43    HB   ILE   6           HB       ILE   6   9.534   5.903  -0.897
   44   HG12  ILE   6          HG12      ILE   6  12.204   4.606  -1.425
   45   HG13  ILE   6          HG13      ILE   6  10.744   3.662  -1.148
   46   HG21  ILE   6          HG21      ILE   6  10.843   7.833  -0.339
   47   HG22  ILE   6          HG22      ILE   6  12.341   6.916  -0.485
   48   HG23  ILE   6          HG23      ILE   6  11.365   7.242  -1.917
   49   HD11  ILE   6          HD11      ILE   6   9.720   4.514  -3.099
   50   HD12  ILE   6          HD12      ILE   6  10.964   5.748  -3.295
   51   HD13  ILE   6          HD13      ILE   6  11.361   4.048  -3.545
   52    H    ASN   7           H        ASN   7   8.216   6.061   1.197
   53    HA   ASN   7           HA       ASN   7   8.439   8.678   2.027
   54    HB2  ASN   7           HB2      ASN   7   6.381   6.642   2.031
   55    HB3  ASN   7           HB3      ASN   7   6.259   7.659   3.463
   56   HD21  ASN   7          HD21      ASN   7   7.154   8.260   0.082
   57   HD22  ASN   7          HD22      ASN   7   6.017   9.537  -0.168
   58    H    LYS   8           H        LYS   8   8.277   5.775   4.077
   59    HA   LYS   8           HA       LYS   8   8.532   7.143   6.533
   60    HB2  LYS   8           HB2      LYS   8   9.115   4.285   5.754
   61    HB3  LYS   8           HB3      LYS   8   9.220   4.872   7.408
   62    HG2  LYS   8           HG2      LYS   8   6.728   5.052   5.734
   63    HG3  LYS   8           HG3      LYS   8   7.087   3.712   6.824
   64    HD2  LYS   8           HD2      LYS   8   6.729   4.960   8.695
   65    HD3  LYS   8           HD3      LYS   8   7.283   6.454   7.936
   66    HE2  LYS   8           HE2      LYS   8   4.939   5.607   6.583
   67    HE3  LYS   8           HE3      LYS   8   4.619   5.522   8.314
   68    HZ1  LYS   8           HZ1      LYS   8   4.127   7.687   7.972
   69    HZ2  LYS   8           HZ2      LYS   8   5.152   7.845   6.636
   70    HZ3  LYS   8           HZ3      LYS   8   5.792   7.878   8.202
   71    H    PHE   9           H        PHE   9  10.903   5.635   4.383
   72    HA   PHE   9           HA       PHE   9  13.167   5.822   5.966
   73    HB2  PHE   9           HB2      PHE   9  12.618   5.644   3.077
   74    HB3  PHE   9           HB3      PHE   9  14.179   6.347   3.488
   75    HD1  PHE   9           HD1      PHE   9  12.499   3.374   2.808
   76    HD2  PHE   9           HD2      PHE   9  15.503   4.994   5.351
   77    HE1  PHE   9           HE1      PHE   9  13.413   1.117   3.161
   78    HE2  PHE   9           HE2      PHE   9  16.422   2.740   5.708
   79    HZ   PHE   9           HZ       PHE   9  15.378   0.798   4.611
   80    H    ARG  10           H        ARG  10  11.577   8.292   4.033
   81    HA   ARG  10           HA       ARG  10  13.598  10.251   4.192
   82    HB2  ARG  10           HB2      ARG  10  10.609  10.530   3.843
   83    HB3  ARG  10           HB3      ARG  10  11.753  11.853   3.663
   84    HG2  ARG  10           HG2      ARG  10  11.619   9.354   1.990
   85    HG3  ARG  10           HG3      ARG  10  11.155  10.985   1.499
   86    HD2  ARG  10           HD2      ARG  10  13.256  10.892   0.607
   87    HD3  ARG  10           HD3      ARG  10  13.635  11.531   2.205
   88    HE   ARG  10           HE       ARG  10  13.814   8.841   2.526
   89   HH11  ARG  10          HH11      ARG  10  15.237  11.118   0.311
   90   HH12  ARG  10          HH12      ARG  10  16.693  10.202   0.101
   91   HH21  ARG  10          HH21      ARG  10  15.726   7.626   2.258
   92   HH22  ARG  10          HH22      ARG  10  16.969   8.216   1.208
   93    H    ILE  11           H        ILE  11  11.060   9.282   6.384
   94    HA   ILE  11           HA       ILE  11  11.410  11.585   8.103
   95    HB   ILE  11           HB       ILE  11   9.924   9.130   8.947
   96   HG12  ILE  11          HG12      ILE  11   9.172   9.455   6.670
   97   HG13  ILE  11          HG13      ILE  11   7.915  10.015   7.768
   98   HG21  ILE  11          HG21      ILE  11  10.161  10.987  10.511
   99   HG22  ILE  11          HG22      ILE  11   9.436  12.080   9.333
  100   HG23  ILE  11          HG23      ILE  11   8.478  10.774  10.031
  101   HD11  ILE  11          HD11      ILE  11   8.500  12.299   7.363
  102   HD12  ILE  11          HD12      ILE  11   9.904  11.815   6.410
  103   HD13  ILE  11          HD13      ILE  11   8.277  11.485   5.814
  104    H    VAL  12           H        VAL  12  11.949   8.073   8.373
  105    HA   VAL  12           HA       VAL  12  13.087   8.002  10.893
  106    HB   VAL  12           HB       VAL  12  13.862   6.293   8.525
  107   HG11  VAL  12          HG11      VAL  12  14.420   4.623  10.303
  108   HG12  VAL  12          HG12      VAL  12  15.484   6.030  10.257
  109   HG13  VAL  12          HG13      VAL  12  14.229   5.913  11.491
  110   HG21  VAL  12          HG21      VAL  12  12.179   4.733   9.313
  111   HG22  VAL  12          HG22      VAL  12  11.765   5.816  10.642
  112   HG23  VAL  12          HG23      VAL  12  11.441   6.299   8.977
  113    H    LYS  13           H        LYS  13  14.549   8.847   7.810
  114    HA   LYS  13           HA       LYS  13  17.166   9.172   9.069
  115    HB2  LYS  13           HB2      LYS  13  16.188   9.080   6.241
  116    HB3  LYS  13           HB3      LYS  13  17.727   9.852   6.596
  117    HG2  LYS  13           HG2      LYS  13  18.174   7.606   5.974
  118    HG3  LYS  13           HG3      LYS  13  18.441   7.736   7.714
  119    HD2  LYS  13           HD2      LYS  13  16.244   6.766   8.135
  120    HD3  LYS  13           HD3      LYS  13  15.942   6.669   6.398
  121    HE2  LYS  13           HE2      LYS  13  18.162   5.252   7.870
  122    HE3  LYS  13           HE3      LYS  13  16.647   4.512   7.356
  123    HZ1  LYS  13           HZ1      LYS  13  18.965   5.298   5.767
  124    HZ2  LYS  13           HZ2      LYS  13  17.445   5.489   5.051
  125    HZ3  LYS  13           HZ3      LYS  13  17.937   3.965   5.595
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   0.859  -1.746   0.376
    2    HA2  GLY   1           HA2      GLY   1   1.913   0.029  -1.123
    3    HA3  GLY   1           HA3      GLY   1   1.971   0.373   0.600
    4    H    LEU   2           H        LEU   2   3.770   0.372  -2.125
    5    HA   LEU   2           HA       LEU   2   6.262  -0.494  -0.878
    6    HB2  LEU   2           HB2      LEU   2   5.824  -1.188  -3.169
    7    HB3  LEU   2           HB3      LEU   2   5.671   0.497  -3.664
    8    HG   LEU   2           HG       LEU   2   7.852  -0.772  -4.195
    9   HD11  LEU   2          HD11      LEU   2   7.236   1.899  -3.770
   10   HD12  LEU   2          HD12      LEU   2   8.648   1.260  -4.609
   11   HD13  LEU   2          HD13      LEU   2   8.744   1.648  -2.892
   12   HD21  LEU   2          HD21      LEU   2   8.155  -1.693  -1.934
   13   HD22  LEU   2          HD22      LEU   2   8.365  -0.056  -1.310
   14   HD23  LEU   2          HD23      LEU   2   9.533  -0.722  -2.452
   15    H    THR   3           H        THR   3   4.938   2.410  -2.455
   16    HA   THR   3           HA       THR   3   7.041   4.146  -2.106
   17    HB   THR   3           HB       THR   3   4.932   4.686  -3.320
   18    HG1  THR   3           HG1      THR   3   5.930   6.550  -3.098
   19   HG21  THR   3          HG21      THR   3   3.615   3.946  -1.103
   20   HG22  THR   3          HG22      THR   3   2.936   5.051  -2.298
   21   HG23  THR   3          HG23      THR   3   3.680   5.686  -0.831
   22    H    TRP   4           H        TRP   4   4.841   2.907   0.281
   23    HA   TRP   4           HA       TRP   4   5.152   4.821   2.295
   24    HB2  TRP   4           HB2      TRP   4   4.021   2.201   2.044
   25    HB3  TRP   4           HB3      TRP   4   4.970   2.272   3.526
   26    HD1  TRP   4           HD1      TRP   4   1.616   2.334   3.003
   27    HE1  TRP   4           HE1      TRP   4   0.315   4.078   4.379
   28    HE3  TRP   4           HE3      TRP   4   5.483   5.442   4.239
   29    HZ2  TRP   4           HZ2      TRP   4   0.856   6.456   5.799
   30    HZ3  TRP   4           HZ3      TRP   4   5.006   7.430   5.608
   31    HH2  TRP   4           HH2      TRP   4   2.740   7.925   6.371
   32    H    PHE   5           H        PHE   5   7.146   2.057   1.402
   33    HA   PHE   5           HA       PHE   5   8.825   1.885   3.583
   34    HB2  PHE   5           HB2      PHE   5   9.044   1.231   0.708
   35    HB3  PHE   5           HB3      PHE   5  10.571   1.399   1.567
   36    HD1  PHE   5           HD1      PHE   5  10.325   0.236   4.073
   37    HD2  PHE   5           HD2      PHE   5   8.375  -0.940   0.476
   38    HE1  PHE   5           HE1      PHE   5  10.081  -2.048   4.956
   39    HE2  PHE   5           HE2      PHE   5   8.127  -3.225   1.354
   40    HZ   PHE   5           HZ       PHE   5   8.980  -3.781   3.597
   41    H    ILE   6           H        ILE   6   9.697   3.616   0.589
   42    HA   ILE   6           HA       ILE   6  11.863   5.002   1.666
   43    HB   ILE   6           HB       ILE   6  10.071   5.857  -0.611
   44   HG12  ILE   6          HG12      ILE   6  12.729   4.432  -0.754
   45   HG13  ILE   6          HG13      ILE   6  11.188   3.580  -0.763
   46   HG21  ILE   6          HG21      ILE   6  11.412   7.705   0.237
   47   HG22  ILE   6          HG22      ILE   6  12.870   6.724   0.098
   48   HG23  ILE   6          HG23      ILE   6  11.982   7.194  -1.351
   49   HD11  ILE   6          HD11      ILE   6  10.553   4.657  -2.813
   50   HD12  ILE   6          HD12      ILE   6  12.005   5.658  -2.777
   51   HD13  ILE   6          HD13      ILE   6  12.141   3.915  -3.008
   52    H    ASN   7           H        ASN   7   8.481   6.026   1.293
   53    HA   ASN   7           HA       ASN   7   8.667   8.630   2.175
   54    HB2  ASN   7           HB2      ASN   7   6.536   6.581   2.118
   55    HB3  ASN   7           HB3      ASN   7   6.280   7.910   3.245
   56   HD21  ASN   7          HD21      ASN   7   4.840   9.185   2.313
   57   HD22  ASN   7          HD22      ASN   7   4.943   9.816   0.708
   58    H    LYS   8           H        LYS   8   8.087   5.733   4.164
   59    HA   LYS   8           HA       LYS   8   8.131   7.117   6.637
   60    HB2  LYS   8           HB2      LYS   8   8.138   4.286   5.759
   61    HB3  LYS   8           HB3      LYS   8   8.771   4.603   7.369
   62    HG2  LYS   8           HG2      LYS   8   6.748   5.093   8.213
   63    HG3  LYS   8           HG3      LYS   8   6.218   5.919   6.746
   64    HD2  LYS   8           HD2      LYS   8   5.865   3.750   5.660
   65    HD3  LYS   8           HD3      LYS   8   6.389   2.929   7.132
   66    HE2  LYS   8           HE2      LYS   8   4.091   4.866   7.104
   67    HE3  LYS   8           HE3      LYS   8   3.878   3.153   6.749
   68    HZ1  LYS   8           HZ1      LYS   8   5.390   3.434   9.105
   69    HZ2  LYS   8           HZ2      LYS   8   3.871   2.719   8.905
   70    HZ3  LYS   8           HZ3      LYS   8   3.990   4.372   9.245
   71    H    PHE   9           H        PHE   9  10.600   5.523   4.707
   72    HA   PHE   9           HA       PHE   9  12.650   5.520   6.641
   73    HB2  PHE   9           HB2      PHE   9  12.461   5.147   3.718
   74    HB3  PHE   9           HB3      PHE   9  14.026   5.699   4.305
   75    HD1  PHE   9           HD1      PHE   9  12.421   2.898   3.326
   76    HD2  PHE   9           HD2      PHE   9  14.580   4.358   6.690
   77    HE1  PHE   9           HE1      PHE   9  12.990   0.589   3.958
   78    HE2  PHE   9           HE2      PHE   9  15.154   2.052   7.328
   79    HZ   PHE   9           HZ       PHE   9  14.359   0.164   5.961
   80    H    ARG  10           H        ARG  10  11.558   7.938   4.338
   81    HA   ARG  10           HA       ARG  10  13.687   9.713   4.416
   82    HB2  ARG  10           HB2      ARG  10  10.913   9.779   3.613
   83    HB3  ARG  10           HB3      ARG  10  11.371  11.298   4.371
   84    HG2  ARG  10           HG2      ARG  10  11.773  11.585   2.079
   85    HG3  ARG  10           HG3      ARG  10  13.359  11.322   2.805
   86    HD2  ARG  10           HD2      ARG  10  11.797   9.022   1.699
   87    HD3  ARG  10           HD3      ARG  10  12.725  10.066   0.624
   88    HE   ARG  10           HE       ARG  10  13.759   8.132   2.492
   89   HH11  ARG  10          HH11      ARG  10  14.442  10.995   0.633
   90   HH12  ARG  10          HH12      ARG  10  16.155  10.735   0.619
   91   HH21  ARG  10          HH21      ARG  10  16.013   7.779   2.481
   92   HH22  ARG  10          HH22      ARG  10  17.047   8.905   1.669
   93    H    ILE  11           H        ILE  11  10.989   9.339   6.664
   94    HA   ILE  11           HA       ILE  11  11.621  11.605   8.257
   95    HB   ILE  11           HB       ILE  11  10.051   9.132   8.995
   96   HG12  ILE  11          HG12      ILE  11   8.316  11.281   8.678
   97   HG13  ILE  11          HG13      ILE  11   9.456  11.463   7.349
   98   HG21  ILE  11          HG21      ILE  11   9.014  10.794  10.653
   99   HG22  ILE  11          HG22      ILE  11  10.605  10.133  11.027
  100   HG23  ILE  11          HG23      ILE  11  10.460  11.763  10.371
  101   HD11  ILE  11          HD11      ILE  11   8.960   8.889   7.048
  102   HD12  ILE  11          HD12      ILE  11   7.461   9.336   7.864
  103   HD13  ILE  11          HD13      ILE  11   7.915  10.130   6.356
  104    H    VAL  12           H        VAL  12  12.562   8.220   8.341
  105    HA   VAL  12           HA       VAL  12  13.780   8.272  10.903
  106    HB   VAL  12           HB       VAL  12  14.428   6.434   8.595
  107   HG11  VAL  12          HG11      VAL  12  14.602   5.195  11.148
  108   HG12  VAL  12          HG12      VAL  12  15.884   5.475   9.968
  109   HG13  VAL  12          HG13      VAL  12  15.531   6.693  11.194
  110   HG21  VAL  12          HG21      VAL  12  12.422   6.013  10.806
  111   HG22  VAL  12          HG22      VAL  12  12.006   6.504   9.164
  112   HG23  VAL  12          HG23      VAL  12  12.757   4.934   9.451
  113    H    LYS  13           H        LYS  13  14.938   8.923   7.645
  114    HA   LYS  13           HA       LYS  13  17.671   9.280   8.562
  115    HB2  LYS  13           HB2      LYS  13  16.305   9.044   5.962
  116    HB3  LYS  13           HB3      LYS  13  17.664  10.160   5.981
  117    HG2  LYS  13           HG2      LYS  13  19.120   8.491   5.936
  118    HG3  LYS  13           HG3      LYS  13  18.352   7.707   7.319
  119    HD2  LYS  13           HD2      LYS  13  17.914   6.088   5.805
  120    HD3  LYS  13           HD3      LYS  13  16.555   7.136   5.393
  121    HE2  LYS  13           HE2      LYS  13  17.691   6.473   3.374
  122    HE3  LYS  13           HE3      LYS  13  17.953   8.194   3.648
  123    HZ1  LYS  13           HZ1      LYS  13  19.896   6.420   3.115
  124    HZ2  LYS  13           HZ2      LYS  13  19.966   6.477   4.804
  125    HZ3  LYS  13           HZ3      LYS  13  20.142   7.897   3.902
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   1.275   0.221   1.269
    2    HA2  GLY   1           HA2      GLY   1   1.948  -1.142  -1.217
    3    HA3  GLY   1           HA3      GLY   1   1.864   0.596  -0.971
    4    H    LEU   2           H        LEU   2   3.916   0.150  -2.351
    5    HA   LEU   2           HA       LEU   2   6.224  -0.556  -0.717
    6    HB2  LEU   2           HB2      LEU   2   6.019  -1.416  -3.018
    7    HB3  LEU   2           HB3      LEU   2   6.071   0.239  -3.621
    8    HG   LEU   2           HG       LEU   2   8.206  -1.175  -3.757
    9   HD11  LEU   2          HD11      LEU   2   7.741   1.583  -3.315
   10   HD12  LEU   2          HD12      LEU   2   9.077   0.817  -4.173
   11   HD13  LEU   2          HD13      LEU   2   9.208   1.135  -2.443
   12   HD21  LEU   2          HD21      LEU   2   9.502  -1.502  -1.866
   13   HD22  LEU   2          HD22      LEU   2   7.877  -1.860  -1.282
   14   HD23  LEU   2          HD23      LEU   2   8.618  -0.299  -0.926
   15    H    THR   3           H        THR   3   4.776   2.225  -2.299
   16    HA   THR   3           HA       THR   3   6.846   4.060  -2.123
   17    HB   THR   3           HB       THR   3   4.726   4.528  -3.283
   18    HG1  THR   3           HG1      THR   3   4.588   6.717  -2.572
   19   HG21  THR   3          HG21      THR   3   3.525   3.704  -0.944
   20   HG22  THR   3          HG22      THR   3   2.717   4.509  -2.289
   21   HG23  THR   3          HG23      THR   3   3.294   5.452  -0.915
   22    H    TRP   4           H        TRP   4   4.772   2.798   0.373
   23    HA   TRP   4           HA       TRP   4   5.068   4.754   2.335
   24    HB2  TRP   4           HB2      TRP   4   4.072   2.080   2.180
   25    HB3  TRP   4           HB3      TRP   4   5.099   2.209   3.606
   26    HD1  TRP   4           HD1      TRP   4   1.732   2.079   3.310
   27    HE1  TRP   4           HE1      TRP   4   0.422   3.774   4.736
   28    HE3  TRP   4           HE3      TRP   4   5.478   5.436   4.227
   29    HZ2  TRP   4           HZ2      TRP   4   0.911   6.211   6.073
   30    HZ3  TRP   4           HZ3      TRP   4   4.973   7.423   5.587
   31    HH2  TRP   4           HH2      TRP   4   2.736   7.801   6.490
   32    H    PHE   5           H        PHE   5   7.155   2.025   1.500
   33    HA   PHE   5           HA       PHE   5   8.939   2.084   3.602
   34    HB2  PHE   5           HB2      PHE   5   9.077   1.251   0.762
   35    HB3  PHE   5           HB3      PHE   5  10.620   1.502   1.573
   36    HD1  PHE   5           HD1      PHE   5  10.938   0.306   3.839
   37    HD2  PHE   5           HD2      PHE   5   7.970  -0.765   0.982
   38    HE1  PHE   5           HE1      PHE   5  10.766  -1.926   4.859
   39    HE2  PHE   5           HE2      PHE   5   7.793  -2.998   1.998
   40    HZ   PHE   5           HZ       PHE   5   9.191  -3.581   3.940
   41    H    ILE   6           H        ILE   6   9.690   3.562   0.449
   42    HA   ILE   6           HA       ILE   6  11.828   5.095   1.240
   43    HB   ILE   6           HB       ILE   6   9.762   5.824  -0.839
   44   HG12  ILE   6          HG12      ILE   6  12.445   4.494  -1.231
   45   HG13  ILE   6          HG13      ILE   6  10.943   3.592  -1.066
   46   HG21  ILE   6          HG21      ILE   6  11.099   7.752  -0.206
   47   HG22  ILE   6          HG22      ILE   6  12.579   6.828  -0.456
   48   HG23  ILE   6          HG23      ILE   6  11.533   7.205  -1.825
   49   HD11  ILE   6          HD11      ILE   6  10.260   5.307  -3.023
   50   HD12  ILE   6          HD12      ILE   6  11.987   5.132  -3.335
   51   HD13  ILE   6          HD13      ILE   6  10.948   3.707  -3.303
   52    H    ASN   7           H        ASN   7   8.421   6.127   1.104
   53    HA   ASN   7           HA       ASN   7   8.688   8.724   1.973
   54    HB2  ASN   7           HB2      ASN   7   6.554   6.782   1.798
   55    HB3  ASN   7           HB3      ASN   7   6.372   7.770   3.244
   56   HD21  ASN   7          HD21      ASN   7   5.691   9.823   3.058
   57   HD22  ASN   7          HD22      ASN   7   5.335  10.603   1.558
   58    H    LYS   8           H        LYS   8   8.097   5.873   4.031
   59    HA   LYS   8           HA       LYS   8   8.296   7.219   6.485
   60    HB2  LYS   8           HB2      LYS   8   8.363   4.399   5.584
   61    HB3  LYS   8           HB3      LYS   8   9.087   4.723   7.154
   62    HG2  LYS   8           HG2      LYS   8   7.106   5.101   8.133
   63    HG3  LYS   8           HG3      LYS   8   6.461   5.960   6.732
   64    HD2  LYS   8           HD2      LYS   8   6.088   3.825   5.595
   65    HD3  LYS   8           HD3      LYS   8   6.741   2.965   6.992
   66    HE2  LYS   8           HE2      LYS   8   4.359   4.802   7.135
   67    HE3  LYS   8           HE3      LYS   8   4.229   3.067   6.852
   68    HZ1  LYS   8           HZ1      LYS   8   4.007   3.898   9.232
   69    HZ2  LYS   8           HZ2      LYS   8   5.681   4.139   9.192
   70    HZ3  LYS   8           HZ3      LYS   8   5.045   2.588   8.965
   71    H    PHE   9           H        PHE   9  10.734   5.584   4.513
   72    HA   PHE   9           HA       PHE   9  12.877   5.621   6.261
   73    HB2  PHE   9           HB2      PHE   9  12.618   5.695   3.289
   74    HB3  PHE   9           HB3      PHE   9  14.202   6.005   3.992
   75    HD1  PHE   9           HD1      PHE   9  11.548   3.670   5.131
   76    HD2  PHE   9           HD2      PHE   9  15.445   4.116   3.478
   77    HE1  PHE   9           HE1      PHE   9  11.917   1.247   5.356
   78    HE2  PHE   9           HE2      PHE   9  15.820   1.694   3.699
   79    HZ   PHE   9           HZ       PHE   9  14.055   0.256   4.638
   80    H    ARG  10           H        ARG  10  11.620   8.202   4.218
   81    HA   ARG  10           HA       ARG  10  13.689  10.048   4.489
   82    HB2  ARG  10           HB2      ARG  10  10.714  10.504   4.209
   83    HB3  ARG  10           HB3      ARG  10  11.924  11.771   4.058
   84    HG2  ARG  10           HG2      ARG  10  11.642   9.348   2.295
   85    HG3  ARG  10           HG3      ARG  10  11.237  11.013   1.875
   86    HD2  ARG  10           HD2      ARG  10  13.314  10.879   0.939
   87    HD3  ARG  10           HD3      ARG  10  13.755  11.423   2.557
   88    HE   ARG  10           HE       ARG  10  13.780   8.678   2.672
   89   HH11  ARG  10          HH11      ARG  10  15.401  11.133   0.812
   90   HH12  ARG  10          HH12      ARG  10  16.843  10.198   0.591
   91   HH21  ARG  10          HH21      ARG  10  15.673   7.437   2.389
   92   HH22  ARG  10          HH22      ARG  10  16.996   8.096   1.488
   93    H    ILE  11           H        ILE  11  10.893   9.439   6.573
   94    HA   ILE  11           HA       ILE  11  11.379  11.570   8.371
   95    HB   ILE  11           HB       ILE  11   9.891   8.977   8.803
   96   HG12  ILE  11          HG12      ILE  11   8.056  11.021   8.725
   97   HG13  ILE  11          HG13      ILE  11   9.240  11.544   7.531
   98   HG21  ILE  11          HG21      ILE  11  10.357   9.705  10.961
   99   HG22  ILE  11          HG22      ILE  11  10.223  11.407  10.521
  100   HG23  ILE  11          HG23      ILE  11   8.774  10.408  10.633
  101   HD11  ILE  11          HD11      ILE  11   7.825  10.327   6.224
  102   HD12  ILE  11          HD12      ILE  11   8.984   9.077   6.678
  103   HD13  ILE  11          HD13      ILE  11   7.434   9.188   7.512
  104    H    VAL  12           H        VAL  12  12.497   8.243   8.219
  105    HA   VAL  12           HA       VAL  12  13.603   8.111  10.820
  106    HB   VAL  12           HB       VAL  12  14.499   6.588   8.369
  107   HG11  VAL  12          HG11      VAL  12  16.072   5.873   9.794
  108   HG12  VAL  12          HG12      VAL  12  15.218   6.507  11.202
  109   HG13  VAL  12          HG13      VAL  12  14.771   4.938  10.531
  110   HG21  VAL  12          HG21      VAL  12  12.054   6.427   8.813
  111   HG22  VAL  12          HG22      VAL  12  12.907   4.891   8.961
  112   HG23  VAL  12          HG23      VAL  12  12.431   5.778  10.409
  113    H    LYS  13           H        LYS  13  15.034   8.879   7.659
  114    HA   LYS  13           HA       LYS  13  17.645   9.346   8.697
  115    HB2  LYS  13           HB2      LYS  13  16.274   9.679   6.089
  116    HB3  LYS  13           HB3      LYS  13  17.689  10.688   6.362
  117    HG2  LYS  13           HG2      LYS  13  18.639   8.857   5.376
  118    HG3  LYS  13           HG3      LYS  13  18.794   8.432   7.082
  119    HD2  LYS  13           HD2      LYS  13  16.617   7.187   6.856
  120    HD3  LYS  13           HD3      LYS  13  16.736   7.448   5.114
  121    HE2  LYS  13           HE2      LYS  13  19.072   6.275   6.536
  122    HE3  LYS  13           HE3      LYS  13  17.664   5.252   6.256
  123    HZ1  LYS  13           HZ1      LYS  13  19.635   5.565   4.497
  124    HZ2  LYS  13           HZ2      LYS  13  18.585   6.781   3.968
  125    HZ3  LYS  13           HZ3      LYS  13  18.048   5.179   4.056
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   2.234  -0.973   1.926
    2    HA2  GLY   1           HA2      GLY   1   1.957  -1.288  -0.623
    3    HA3  GLY   1           HA3      GLY   1   1.906   0.469  -0.619
    4    H    LEU   2           H        LEU   2   3.762   0.306  -2.053
    5    HA   LEU   2           HA       LEU   2   6.257  -0.546  -0.797
    6    HB2  LEU   2           HB2      LEU   2   5.829  -1.268  -3.082
    7    HB3  LEU   2           HB3      LEU   2   5.666   0.410  -3.595
    8    HG   LEU   2           HG       LEU   2   7.857  -0.849  -4.108
    9   HD11  LEU   2          HD11      LEU   2   7.222   1.822  -3.711
   10   HD12  LEU   2          HD12      LEU   2   8.643   1.184  -4.538
   11   HD13  LEU   2          HD13      LEU   2   8.729   1.590  -2.824
   12   HD21  LEU   2          HD21      LEU   2   8.163  -1.748  -1.839
   13   HD22  LEU   2          HD22      LEU   2   8.354  -0.105  -1.227
   14   HD23  LEU   2          HD23      LEU   2   9.534  -0.768  -2.359
   15    H    THR   3           H        THR   3   4.908   2.331  -2.400
   16    HA   THR   3           HA       THR   3   6.993   4.091  -2.080
   17    HB   THR   3           HB       THR   3   5.102   4.823  -3.319
   18    HG1  THR   3           HG1      THR   3   4.709   6.841  -2.318
   19   HG21  THR   3          HG21      THR   3   2.904   5.242  -2.249
   20   HG22  THR   3          HG22      THR   3   3.515   4.502  -0.769
   21   HG23  THR   3          HG23      THR   3   3.360   3.539  -2.238
   22    H    TRP   4           H        TRP   4   4.809   2.866   0.337
   23    HA   TRP   4           HA       TRP   4   5.124   4.787   2.335
   24    HB2  TRP   4           HB2      TRP   4   4.030   2.151   2.114
   25    HB3  TRP   4           HB3      TRP   4   5.001   2.239   3.581
   26    HD1  TRP   4           HD1      TRP   4   1.640   2.249   3.117
   27    HE1  TRP   4           HE1      TRP   4   0.337   3.980   4.507
   28    HE3  TRP   4           HE3      TRP   4   5.479   5.423   4.270
   29    HZ2  TRP   4           HZ2      TRP   4   0.865   6.374   5.906
   30    HZ3  TRP   4           HZ3      TRP   4   4.995   7.411   5.637
   31    HH2  TRP   4           HH2      TRP   4   2.736   7.875   6.437
   32    H    PHE   5           H        PHE   5   7.144   2.031   1.462
   33    HA   PHE   5           HA       PHE   5   8.853   1.925   3.623
   34    HB2  PHE   5           HB2      PHE   5   9.047   1.218   0.758
   35    HB3  PHE   5           HB3      PHE   5  10.581   1.412   1.600
   36    HD1  PHE   5           HD1      PHE   5  10.373   0.291   4.124
   37    HD2  PHE   5           HD2      PHE   5   8.384  -0.959   0.575
   38    HE1  PHE   5           HE1      PHE   5  10.153  -1.978   5.051
   39    HE2  PHE   5           HE2      PHE   5   8.160  -3.230   1.496
   40    HZ   PHE   5           HZ       PHE   5   9.045  -3.741   3.737
   41    H    ILE   6           H        ILE   6   9.739   3.552   0.579
   42    HA   ILE   6           HA       ILE   6  11.885   4.988   1.570
   43    HB   ILE   6           HB       ILE   6  10.003   5.817  -0.643
   44   HG12  ILE   6          HG12      ILE   6  12.651   4.365  -0.807
   45   HG13  ILE   6          HG13      ILE   6  11.083   3.570  -0.892
   46   HG21  ILE   6          HG21      ILE   6  11.346   7.688   0.142
   47   HG22  ILE   6          HG22      ILE   6  12.813   6.725  -0.032
   48   HG23  ILE   6          HG23      ILE   6  11.876   7.170  -1.459
   49   HD11  ILE   6          HD11      ILE   6  10.678   5.267  -2.841
   50   HD12  ILE   6          HD12      ILE   6  12.441   5.306  -2.882
   51   HD13  ILE   6          HD13      ILE   6  11.587   3.779  -3.106
   52    H    ASN   7           H        ASN   7   8.510   6.071   1.228
   53    HA   ASN   7           HA       ASN   7   8.735   8.652   2.139
   54    HB2  ASN   7           HB2      ASN   7   6.580   6.633   2.090
   55    HB3  ASN   7           HB3      ASN   7   6.353   7.948   3.239
   56   HD21  ASN   7          HD21      ASN   7   6.875  10.164   2.260
   57   HD22  ASN   7          HD22      ASN   7   6.204  10.464   0.696
   58    H    LYS   8           H        LYS   8   8.056   5.781   4.141
   59    HA   LYS   8           HA       LYS   8   8.149   7.122   6.612
   60    HB2  LYS   8           HB2      LYS   8   8.180   4.310   5.699
   61    HB3  LYS   8           HB3      LYS   8   8.867   4.599   7.291
   62    HG2  LYS   8           HG2      LYS   8   6.870   5.044   8.217
   63    HG3  LYS   8           HG3      LYS   8   6.280   5.899   6.791
   64    HD2  LYS   8           HD2      LYS   8   5.923   3.745   5.664
   65    HD3  LYS   8           HD3      LYS   8   6.486   2.904   7.111
   66    HE2  LYS   8           HE2      LYS   8   4.164   4.817   7.138
   67    HE3  LYS   8           HE3      LYS   8   3.974   3.095   6.812
   68    HZ1  LYS   8           HZ1      LYS   8   5.107   2.698   8.984
   69    HZ2  LYS   8           HZ2      LYS   8   3.588   3.431   9.109
   70    HZ3  LYS   8           HZ3      LYS   8   4.992   4.357   9.295
   71    H    PHE   9           H        PHE   9  10.644   5.662   4.626
   72    HA   PHE   9           HA       PHE   9  12.708   5.633   6.543
   73    HB2  PHE   9           HB2      PHE   9  12.519   5.417   3.597
   74    HB3  PHE   9           HB3      PHE   9  14.077   5.940   4.230
   75    HD1  PHE   9           HD1      PHE   9  12.481   3.195   3.077
   76    HD2  PHE   9           HD2      PHE   9  14.630   4.461   6.526
   77    HE1  PHE   9           HE1      PHE   9  13.057   0.854   3.574
   78    HE2  PHE   9           HE2      PHE   9  15.211   2.123   7.027
   79    HZ   PHE   9           HZ       PHE   9  14.425   0.316   5.550
   80    H    ARG  10           H        ARG  10  11.562   8.112   4.323
   81    HA   ARG  10           HA       ARG  10  13.635   9.942   4.498
   82    HB2  ARG  10           HB2      ARG  10  10.661  10.396   4.237
   83    HB3  ARG  10           HB3      ARG  10  11.855  11.675   4.068
   84    HG2  ARG  10           HG2      ARG  10  11.616   9.219   2.344
   85    HG3  ARG  10           HG3      ARG  10  11.167  10.866   1.898
   86    HD2  ARG  10           HD2      ARG  10  13.234  10.897   0.997
   87    HD3  ARG  10           HD3      ARG  10  13.721  11.260   2.652
   88    HE   ARG  10           HE       ARG  10  13.735   8.540   2.534
   89   HH11  ARG  10          HH11      ARG  10  15.239  11.076   0.683
   90   HH12  ARG  10          HH12      ARG  10  16.633  10.130   0.276
   91   HH21  ARG  10          HH21      ARG  10  15.565   7.285   2.005
   92   HH22  ARG  10          HH22      ARG  10  16.817   7.974   1.028
   93    H    ILE  11           H        ILE  11  10.927   9.402   6.700
   94    HA   ILE  11           HA       ILE  11  11.459  11.622   8.384
   95    HB   ILE  11           HB       ILE  11   9.990   9.056   9.004
   96   HG12  ILE  11          HG12      ILE  11   8.119  11.041   8.800
   97   HG13  ILE  11          HG13      ILE  11   9.282  11.530   7.573
   98   HG21  ILE  11          HG21      ILE  11  10.476   9.947  11.092
   99   HG22  ILE  11          HG22      ILE  11  10.337  11.610  10.525
  100   HG23  ILE  11          HG23      ILE  11   8.889  10.626  10.733
  101   HD11  ILE  11          HD11      ILE  11   7.384   9.320   7.587
  102   HD12  ILE  11          HD12      ILE  11   8.145  10.161   6.236
  103   HD13  ILE  11          HD13      ILE  11   9.006   8.865   7.066
  104    H    VAL  12           H        VAL  12  12.560   8.287   8.336
  105    HA   VAL  12           HA       VAL  12  13.767   8.305  10.910
  106    HB   VAL  12           HB       VAL  12  14.487   6.561   8.551
  107   HG11  VAL  12          HG11      VAL  12  14.822   5.058  10.789
  108   HG12  VAL  12          HG12      VAL  12  16.113   5.945   9.975
  109   HG13  VAL  12          HG13      VAL  12  15.299   6.653  11.371
  110   HG21  VAL  12          HG21      VAL  12  12.870   4.977   9.351
  111   HG22  VAL  12          HG22      VAL  12  12.488   5.997  10.738
  112   HG23  VAL  12          HG23      VAL  12  12.062   6.526   9.111
  113    H    LYS  13           H        LYS  13  14.940   8.996   7.652
  114    HA   LYS  13           HA       LYS  13  17.662   9.360   8.483
  115    HB2  LYS  13           HB2      LYS  13  16.141   9.497   5.966
  116    HB3  LYS  13           HB3      LYS  13  17.495  10.615   6.062
  117    HG2  LYS  13           HG2      LYS  13  18.942   8.988   5.664
  118    HG3  LYS  13           HG3      LYS  13  18.292   8.018   6.988
  119    HD2  LYS  13           HD2      LYS  13  16.771   6.926   5.604
  120    HD3  LYS  13           HD3      LYS  13  16.858   8.177   4.361
  121    HE2  LYS  13           HE2      LYS  13  18.779   7.339   3.461
  122    HE3  LYS  13           HE3      LYS  13  19.350   6.697   5.000
  123    HZ1  LYS  13           HZ1      LYS  13  17.161   5.205   4.533
  124    HZ2  LYS  13           HZ2      LYS  13  18.740   4.741   4.144
  125    HZ3  LYS  13           HZ3      LYS  13  17.747   5.435   2.963
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   1.315   0.094  -0.196
    2    HA2  GLY   1           HA2      GLY   1   1.912   0.006  -3.040
    3    HA3  GLY   1           HA3      GLY   1   1.868   1.611  -2.325
    4    H    LEU   2           H        LEU   2   4.174   0.973  -3.435
    5    HA   LEU   2           HA       LEU   2   5.935  -0.191  -1.424
    6    HB2  LEU   2           HB2      LEU   2   6.174  -0.819  -3.797
    7    HB3  LEU   2           HB3      LEU   2   6.563   0.857  -4.181
    8    HG   LEU   2           HG       LEU   2   8.487  -0.828  -4.002
    9   HD11  LEU   2          HD11      LEU   2   8.261   1.920  -3.359
   10   HD12  LEU   2          HD12      LEU   2   9.662   1.049  -3.980
   11   HD13  LEU   2          HD13      LEU   2   9.417   1.197  -2.240
   12   HD21  LEU   2          HD21      LEU   2   9.257  -1.490  -1.919
   13   HD22  LEU   2          HD22      LEU   2   7.510  -1.672  -1.760
   14   HD23  LEU   2          HD23      LEU   2   8.317  -0.264  -1.067
   15    H    THR   3           H        THR   3   5.224   2.888  -2.952
   16    HA   THR   3           HA       THR   3   7.381   4.418  -2.179
   17    HB   THR   3           HB       THR   3   5.603   5.307  -3.596
   18    HG1  THR   3           HG1      THR   3   5.313   7.353  -2.304
   19   HG21  THR   3          HG21      THR   3   3.688   4.287  -2.444
   20   HG22  THR   3          HG22      THR   3   3.469   6.025  -2.651
   21   HG23  THR   3          HG23      THR   3   3.934   5.376  -1.079
   22    H    TRP   4           H        TRP   4   4.677   3.298  -0.248
   23    HA   TRP   4           HA       TRP   4   4.838   4.929   1.965
   24    HB2  TRP   4           HB2      TRP   4   3.264   2.915   1.429
   25    HB3  TRP   4           HB3      TRP   4   4.461   1.973   2.315
   26    HD1  TRP   4           HD1      TRP   4   2.133   5.018   2.880
   27    HE1  TRP   4           HE1      TRP   4   1.503   5.083   5.374
   28    HE3  TRP   4           HE3      TRP   4   5.023   1.146   4.548
   29    HZ2  TRP   4           HZ2      TRP   4   2.147   3.679   7.737
   30    HZ3  TRP   4           HZ3      TRP   4   4.959   0.571   6.940
   31    HH2  TRP   4           HH2      TRP   4   3.551   1.813   8.500
   32    H    PHE   5           H        PHE   5   6.772   2.053   1.227
   33    HA   PHE   5           HA       PHE   5   8.183   1.830   3.602
   34    HB2  PHE   5           HB2      PHE   5   8.611   0.996   0.804
   35    HB3  PHE   5           HB3      PHE   5  10.070   1.105   1.782
   36    HD1  PHE   5           HD1      PHE   5   9.668   0.061   4.262
   37    HD2  PHE   5           HD2      PHE   5   7.657  -1.075   0.687
   38    HE1  PHE   5           HE1      PHE   5   9.176  -2.141   5.243
   39    HE2  PHE   5           HE2      PHE   5   7.160  -3.278   1.663
   40    HZ   PHE   5           HZ       PHE   5   7.919  -3.813   3.944
   41    H    ILE   6           H        ILE   6   9.489   3.333   0.642
   42    HA   ILE   6           HA       ILE   6  11.695   4.540   1.772
   43    HB   ILE   6           HB       ILE   6  10.020   5.618  -0.499
   44   HG12  ILE   6          HG12      ILE   6  12.492   3.879  -0.593
   45   HG13  ILE   6          HG13      ILE   6  10.850   3.268  -0.765
   46   HG21  ILE   6          HG21      ILE   6  11.535   7.300   0.407
   47   HG22  ILE   6          HG22      ILE   6  12.887   6.180   0.247
   48   HG23  ILE   6          HG23      ILE   6  12.060   6.775  -1.192
   49   HD11  ILE   6          HD11      ILE   6  10.604   4.823  -2.726
   50   HD12  ILE   6          HD12      ILE   6  12.343   5.099  -2.613
   51   HD13  ILE   6          HD13      ILE   6  11.726   3.479  -2.939
   52    H    ASN   7           H        ASN   7   8.422   5.871   1.418
   53    HA   ASN   7           HA       ASN   7   8.863   8.431   2.369
   54    HB2  ASN   7           HB2      ASN   7   6.628   6.854   1.729
   55    HB3  ASN   7           HB3      ASN   7   6.356   7.409   3.378
   56   HD21  ASN   7          HD21      ASN   7   5.531   8.097   0.404
   57   HD22  ASN   7          HD22      ASN   7   5.456   9.822   0.454
   58    H    LYS   8           H        LYS   8   7.989   5.529   4.232
   59    HA   LYS   8           HA       LYS   8   8.043   6.798   6.758
   60    HB2  LYS   8           HB2      LYS   8   8.251   3.913   5.911
   61    HB3  LYS   8           HB3      LYS   8   8.293   4.397   7.601
   62    HG2  LYS   8           HG2      LYS   8   6.044   5.103   5.735
   63    HG3  LYS   8           HG3      LYS   8   6.060   3.656   6.746
   64    HD2  LYS   8           HD2      LYS   8   6.021   4.920   8.734
   65    HD3  LYS   8           HD3      LYS   8   6.446   6.410   7.888
   66    HE2  LYS   8           HE2      LYS   8   4.135   5.653   6.627
   67    HE3  LYS   8           HE3      LYS   8   3.838   5.148   8.290
   68    HZ1  LYS   8           HZ1      LYS   8   4.704   7.513   8.832
   69    HZ2  LYS   8           HZ2      LYS   8   3.109   7.308   8.309
   70    HZ3  LYS   8           HZ3      LYS   8   4.290   7.851   7.226
   71    H    PHE   9           H        PHE   9  10.496   5.213   4.813
   72    HA   PHE   9           HA       PHE   9  12.478   5.065   6.839
   73    HB2  PHE   9           HB2      PHE   9  12.402   4.736   3.886
   74    HB3  PHE   9           HB3      PHE   9  13.970   5.078   4.610
   75    HD1  PHE   9           HD1      PHE   9  12.013   2.524   3.484
   76    HD2  PHE   9           HD2      PHE   9  14.274   3.619   6.920
   77    HE1  PHE   9           HE1      PHE   9  12.247   0.149   4.083
   78    HE2  PHE   9           HE2      PHE   9  14.512   1.246   7.524
   79    HZ   PHE   9           HZ       PHE   9  13.499  -0.493   6.104
   80    H    ARG  10           H        ARG  10  11.552   7.518   4.512
   81    HA   ARG  10           HA       ARG  10  13.770   9.176   4.580
   82    HB2  ARG  10           HB2      ARG  10  11.002   9.390   3.789
   83    HB3  ARG  10           HB3      ARG  10  11.536  10.881   4.552
   84    HG2  ARG  10           HG2      ARG  10  11.906  11.094   2.218
   85    HG3  ARG  10           HG3      ARG  10  13.482  10.891   2.986
   86    HD2  ARG  10           HD2      ARG  10  11.992   8.524   1.920
   87    HD3  ARG  10           HD3      ARG  10  12.930   9.550   0.836
   88    HE   ARG  10           HE       ARG  10  13.949   7.702   2.800
   89   HH11  ARG  10          HH11      ARG  10  14.628  10.499   0.840
   90   HH12  ARG  10          HH12      ARG  10  16.345  10.267   0.873
   91   HH21  ARG  10          HH21      ARG  10  16.208   7.386   2.851
   92   HH22  ARG  10          HH22      ARG  10  17.242   8.496   2.016
   93    H    ILE  11           H        ILE  11  11.162   8.826   6.906
   94    HA   ILE  11           HA       ILE  11  11.767  11.107   8.466
   95    HB   ILE  11           HB       ILE  11  10.366   8.545   9.231
   96   HG12  ILE  11          HG12      ILE  11   8.507  10.563   9.197
   97   HG13  ILE  11          HG13      ILE  11   9.565  11.022   7.867
   98   HG21  ILE  11          HG21      ILE  11   9.418  10.320  10.988
   99   HG22  ILE  11          HG22      ILE  11  10.822   9.305  11.316
  100   HG23  ILE  11          HG23      ILE  11  11.044  10.971  10.781
  101   HD11  ILE  11          HD11      ILE  11   7.711   8.751   8.120
  102   HD12  ILE  11          HD12      ILE  11   8.173   9.695   6.704
  103   HD13  ILE  11          HD13      ILE  11   9.240   8.425   7.304
  104    H    VAL  12           H        VAL  12  13.145   7.938   8.274
  105    HA   VAL  12           HA       VAL  12  14.573   8.241  10.799
  106    HB   VAL  12           HB       VAL  12  14.798   5.979   8.815
  107   HG11  VAL  12          HG11      VAL  12  16.211   6.622  11.180
  108   HG12  VAL  12          HG12      VAL  12  15.194   5.223  11.531
  109   HG13  VAL  12          HG13      VAL  12  16.339   5.168  10.190
  110   HG21  VAL  12          HG21      VAL  12  13.027   6.121  11.251
  111   HG22  VAL  12          HG22      VAL  12  12.463   6.307   9.591
  112   HG23  VAL  12          HG23      VAL  12  13.165   4.778  10.117
  113    H    LYS  13           H        LYS  13  15.384   7.656   7.376
  114    HA   LYS  13           HA       LYS  13  18.127   7.869   7.528
  115    HB2  LYS  13           HB2      LYS  13  17.470   7.244   5.428
  116    HB3  LYS  13           HB3      LYS  13  16.110   8.360   5.403
  117    HG2  LYS  13           HG2      LYS  13  18.857   9.490   5.334
  118    HG3  LYS  13           HG3      LYS  13  18.224   8.719   3.877
  119    HD2  LYS  13           HD2      LYS  13  16.670  10.338   3.532
  120    HD3  LYS  13           HD3      LYS  13  16.433  10.629   5.257
  121    HE2  LYS  13           HE2      LYS  13  17.458  12.576   4.391
  122    HE3  LYS  13           HE3      LYS  13  18.717  11.704   5.264
  123    HZ1  LYS  13           HZ1      LYS  13  18.324  11.853   2.330
  124    HZ2  LYS  13           HZ2      LYS  13  19.373  10.747   3.062
  125    HZ3  LYS  13           HZ3      LYS  13  19.647  12.408   3.228
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   1.307  -0.311   1.329
    2    HA2  GLY   1           HA2      GLY   1   1.755  -1.395  -0.695
    3    HA3  GLY   1           HA3      GLY   1   1.774   0.166  -1.501
    4    H    LEU   2           H        LEU   2   3.688   0.531  -2.386
    5    HA   LEU   2           HA       LEU   2   6.091  -0.499  -1.057
    6    HB2  LEU   2           HB2      LEU   2   5.801  -1.180  -3.362
    7    HB3  LEU   2           HB3      LEU   2   5.648   0.503  -3.865
    8    HG   LEU   2           HG       LEU   2   7.865  -0.711  -4.310
    9   HD11  LEU   2          HD11      LEU   2   8.525   1.733  -2.827
   10   HD12  LEU   2          HD12      LEU   2   7.221   1.905  -4.002
   11   HD13  LEU   2          HD13      LEU   2   8.801   1.316  -4.519
   12   HD21  LEU   2          HD21      LEU   2   8.089  -1.709  -2.083
   13   HD22  LEU   2          HD22      LEU   2   8.215  -0.098  -1.376
   14   HD23  LEU   2          HD23      LEU   2   9.465  -0.678  -2.477
   15    H    THR   3           H        THR   3   4.864   2.443  -2.633
   16    HA   THR   3           HA       THR   3   6.954   4.164  -2.233
   17    HB   THR   3           HB       THR   3   4.953   4.853  -3.429
   18    HG1  THR   3           HG1      THR   3   4.817   6.955  -2.539
   19   HG21  THR   3          HG21      THR   3   3.529   5.192  -0.804
   20   HG22  THR   3          HG22      THR   3   3.402   3.701  -1.738
   21   HG23  THR   3          HG23      THR   3   2.861   5.228  -2.435
   22    H    TRP   4           H        TRP   4   4.661   2.982   0.136
   23    HA   TRP   4           HA       TRP   4   5.001   4.775   2.203
   24    HB2  TRP   4           HB2      TRP   4   3.530   2.625   2.022
   25    HB3  TRP   4           HB3      TRP   4   4.911   1.830   2.772
   26    HD1  TRP   4           HD1      TRP   4   2.553   4.826   3.508
   27    HE1  TRP   4           HE1      TRP   4   2.247   4.980   6.059
   28    HE3  TRP   4           HE3      TRP   4   5.719   1.074   4.934
   29    HZ2  TRP   4           HZ2      TRP   4   3.221   3.684   8.370
   30    HZ3  TRP   4           HZ3      TRP   4   5.976   0.595   7.334
   31    HH2  TRP   4           HH2      TRP   4   4.752   1.875   9.015
   32    H    PHE   5           H        PHE   5   7.049   2.027   1.319
   33    HA   PHE   5           HA       PHE   5   8.785   1.986   3.460
   34    HB2  PHE   5           HB2      PHE   5   8.938   1.195   0.618
   35    HB3  PHE   5           HB3      PHE   5  10.487   1.439   1.417
   36    HD1  PHE   5           HD1      PHE   5  10.290   0.416   4.010
   37    HD2  PHE   5           HD2      PHE   5   8.369  -1.014   0.491
   38    HE1  PHE   5           HE1      PHE   5  10.125  -1.825   5.014
   39    HE2  PHE   5           HE2      PHE   5   8.200  -3.256   1.490
   40    HZ   PHE   5           HZ       PHE   5   9.079  -3.664   3.754
   41    H    ILE   6           H        ILE   6   9.628   3.537   0.365
   42    HA   ILE   6           HA       ILE   6  11.784   5.001   1.265
   43    HB   ILE   6           HB       ILE   6   9.823   5.809  -0.886
   44   HG12  ILE   6          HG12      ILE   6  12.476   4.398  -1.191
   45   HG13  ILE   6          HG13      ILE   6  10.940   3.543  -1.096
   46   HG21  ILE   6          HG21      ILE   6  11.178   7.693  -0.201
   47   HG22  ILE   6          HG22      ILE   6  12.645   6.726  -0.352
   48   HG23  ILE   6          HG23      ILE   6  11.701   7.127  -1.787
   49   HD11  ILE   6          HD11      ILE   6  10.202   4.430  -3.135
   50   HD12  ILE   6          HD12      ILE   6  11.464   5.663  -3.149
   51   HD13  ILE   6          HD13      ILE   6  11.883   3.969  -3.403
   52    H    ASN   7           H        ASN   7   8.370   5.966   1.174
   53    HA   ASN   7           HA       ASN   7   8.574   8.595   1.967
   54    HB2  ASN   7           HB2      ASN   7   6.508   6.752   1.652
   55    HB3  ASN   7           HB3      ASN   7   6.379   7.263   3.332
   56   HD21  ASN   7          HD21      ASN   7   4.456   8.348   2.954
   57   HD22  ASN   7          HD22      ASN   7   4.396   9.846   2.095
   58    H    LYS   8           H        LYS   8   8.310   5.738   4.073
   59    HA   LYS   8           HA       LYS   8   8.520   7.167   6.502
   60    HB2  LYS   8           HB2      LYS   8   8.390   4.394   5.658
   61    HB3  LYS   8           HB3      LYS   8   9.521   4.606   6.988
   62    HG2  LYS   8           HG2      LYS   8   7.337   4.068   7.846
   63    HG3  LYS   8           HG3      LYS   8   7.755   5.726   8.283
   64    HD2  LYS   8           HD2      LYS   8   6.462   6.409   6.181
   65    HD3  LYS   8           HD3      LYS   8   5.819   4.766   6.195
   66    HE2  LYS   8           HE2      LYS   8   4.213   5.923   7.384
   67    HE3  LYS   8           HE3      LYS   8   5.240   5.294   8.671
   68    HZ1  LYS   8           HZ1      LYS   8   4.521   7.875   8.390
   69    HZ2  LYS   8           HZ2      LYS   8   6.054   7.872   7.674
   70    HZ3  LYS   8           HZ3      LYS   8   5.865   7.339   9.269
   71    H    PHE   9           H        PHE   9  10.912   5.540   4.466
   72    HA   PHE   9           HA       PHE   9  13.133   5.691   6.103
   73    HB2  PHE   9           HB2      PHE   9  12.661   5.505   3.201
   74    HB3  PHE   9           HB3      PHE   9  14.228   6.170   3.650
   75    HD1  PHE   9           HD1      PHE   9  12.474   3.233   2.968
   76    HD2  PHE   9           HD2      PHE   9  15.483   4.803   5.537
   77    HE1  PHE   9           HE1      PHE   9  13.320   0.956   3.363
   78    HE2  PHE   9           HE2      PHE   9  16.334   2.529   5.935
   79    HZ   PHE   9           HZ       PHE   9  15.253   0.602   4.847
   80    H    ARG  10           H        ARG  10  11.659   8.190   4.119
   81    HA   ARG  10           HA       ARG  10  13.737  10.094   4.344
   82    HB2  ARG  10           HB2      ARG  10  10.779  10.450   3.836
   83    HB3  ARG  10           HB3      ARG  10  11.969  11.737   3.698
   84    HG2  ARG  10           HG2      ARG  10  11.844   9.221   2.051
   85    HG3  ARG  10           HG3      ARG  10  11.459  10.858   1.518
   86    HD2  ARG  10           HD2      ARG  10  13.599  10.684   0.737
   87    HD3  ARG  10           HD3      ARG  10  13.915  11.337   2.344
   88    HE   ARG  10           HE       ARG  10  13.993   8.650   2.716
   89   HH11  ARG  10          HH11      ARG  10  15.595  10.837   0.532
   90   HH12  ARG  10          HH12      ARG  10  17.028   9.871   0.409
   91   HH21  ARG  10          HH21      ARG  10  15.875   7.370   2.562
   92   HH22  ARG  10          HH22      ARG  10  17.186   7.899   1.563
   93    H    ILE  11           H        ILE  11  11.062   9.216   6.408
   94    HA   ILE  11           HA       ILE  11  11.376  11.530   8.118
   95    HB   ILE  11           HB       ILE  11   9.799   9.115   8.911
   96   HG12  ILE  11          HG12      ILE  11   9.166   9.432   6.597
   97   HG13  ILE  11          HG13      ILE  11   7.870  10.032   7.626
   98   HG21  ILE  11          HG21      ILE  11   8.376  11.469   9.348
   99   HG22  ILE  11          HG22      ILE  11   9.257  10.521  10.544
  100   HG23  ILE  11          HG23      ILE  11  10.051  11.868   9.730
  101   HD11  ILE  11          HD11      ILE  11   8.528  12.298   7.228
  102   HD12  ILE  11          HD12      ILE  11   9.964  11.771   6.349
  103   HD13  ILE  11          HD13      ILE  11   8.361  11.473   5.678
  104    H    VAL  12           H        VAL  12  11.819   8.011   8.464
  105    HA   VAL  12           HA       VAL  12  12.814   7.927  11.033
  106    HB   VAL  12           HB       VAL  12  13.725   6.227   8.707
  107   HG11  VAL  12          HG11      VAL  12  13.811   4.657  10.939
  108   HG12  VAL  12          HG12      VAL  12  15.201   5.465  10.212
  109   HG13  VAL  12          HG13      VAL  12  14.352   6.214  11.565
  110   HG21  VAL  12          HG21      VAL  12  11.513   5.750  10.703
  111   HG22  VAL  12          HG22      VAL  12  11.284   6.230   9.021
  112   HG23  VAL  12          HG23      VAL  12  12.000   4.664   9.401
  113    H    LYS  13           H        LYS  13  14.473   8.783   8.056
  114    HA   LYS  13           HA       LYS  13  17.051   8.960   9.365
  115    HB2  LYS  13           HB2      LYS  13  16.035   9.181   6.591
  116    HB3  LYS  13           HB3      LYS  13  17.472  10.121   6.968
  117    HG2  LYS  13           HG2      LYS  13  18.556   8.247   6.404
  118    HG3  LYS  13           HG3      LYS  13  18.140   7.728   8.039
  119    HD2  LYS  13           HD2      LYS  13  17.410   5.933   6.791
  120    HD3  LYS  13           HD3      LYS  13  15.937   6.899   6.903
  121    HE2  LYS  13           HE2      LYS  13  15.882   6.638   4.670
  122    HE3  LYS  13           HE3      LYS  13  17.065   7.946   4.675
  123    HZ1  LYS  13           HZ1      LYS  13  18.294   6.497   3.519
  124    HZ2  LYS  13           HZ2      LYS  13  17.410   5.150   4.034
  125    HZ3  LYS  13           HZ3      LYS  13  18.624   5.792   5.021
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   2.488  -1.009   2.223
    2    HA2  GLY   1           HA2      GLY   1   2.005  -1.237  -0.678
    3    HA3  GLY   1           HA3      GLY   1   1.983   0.334   0.110
    4    H    LEU   2           H        LEU   2   3.667   0.378  -1.803
    5    HA   LEU   2           HA       LEU   2   6.301  -0.450  -0.808
    6    HB2  LEU   2           HB2      LEU   2   5.767  -1.183  -3.052
    7    HB3  LEU   2           HB3      LEU   2   5.410   0.473  -3.536
    8    HG   LEU   2           HG       LEU   2   7.643  -0.564  -4.265
    9   HD11  LEU   2          HD11      LEU   2   8.294   1.950  -2.907
   10   HD12  LEU   2          HD12      LEU   2   6.825   1.998  -3.882
   11   HD13  LEU   2          HD13      LEU   2   8.357   1.530  -4.619
   12   HD21  LEU   2          HD21      LEU   2   8.231  -1.493  -2.068
   13   HD22  LEU   2          HD22      LEU   2   8.335   0.142  -1.415
   14   HD23  LEU   2          HD23      LEU   2   9.461  -0.381  -2.669
   15    H    THR   3           H        THR   3   4.666   2.362  -2.251
   16    HA   THR   3           HA       THR   3   6.672   4.233  -2.074
   17    HB   THR   3           HB       THR   3   4.429   4.629  -3.091
   18    HG1  THR   3           HG1      THR   3   4.659   6.761  -2.795
   19   HG21  THR   3          HG21      THR   3   3.412   3.851  -0.695
   20   HG22  THR   3          HG22      THR   3   2.519   4.779  -1.900
   21   HG23  THR   3          HG23      THR   3   3.304   5.605  -0.555
   22    H    TRP   4           H        TRP   4   4.767   2.853   0.487
   23    HA   TRP   4           HA       TRP   4   5.123   4.774   2.482
   24    HB2  TRP   4           HB2      TRP   4   4.170   2.078   2.310
   25    HB3  TRP   4           HB3      TRP   4   5.238   2.216   3.703
   26    HD1  TRP   4           HD1      TRP   4   1.858   2.028   3.484
   27    HE1  TRP   4           HE1      TRP   4   0.559   3.670   4.981
   28    HE3  TRP   4           HE3      TRP   4   5.576   5.419   4.387
   29    HZ2  TRP   4           HZ2      TRP   4   1.045   6.083   6.362
   30    HZ3  TRP   4           HZ3      TRP   4   5.076   7.367   5.806
   31    HH2  TRP   4           HH2      TRP   4   2.857   7.690   6.771
   32    H    PHE   5           H        PHE   5   7.220   2.147   1.415
   33    HA   PHE   5           HA       PHE   5   9.095   2.112   3.435
   34    HB2  PHE   5           HB2      PHE   5   9.093   1.442   0.559
   35    HB3  PHE   5           HB3      PHE   5  10.680   1.742   1.259
   36    HD1  PHE   5           HD1      PHE   5  10.763   0.604   3.793
   37    HD2  PHE   5           HD2      PHE   5   8.596  -0.781   0.402
   38    HE1  PHE   5           HE1      PHE   5  10.791  -1.678   4.712
   39    HE2  PHE   5           HE2      PHE   5   8.619  -3.066   1.315
   40    HZ   PHE   5           HZ       PHE   5   9.717  -3.517   3.473
   41    H    ILE   6           H        ILE   6   9.501   3.921   0.386
   42    HA   ILE   6           HA       ILE   6  11.680   5.447   1.242
   43    HB   ILE   6           HB       ILE   6   9.606   6.171  -0.831
   44   HG12  ILE   6          HG12      ILE   6  10.695   4.035  -1.308
   45   HG13  ILE   6          HG13      ILE   6  11.245   5.267  -2.438
   46   HG21  ILE   6          HG21      ILE   6  10.882   8.114  -0.115
   47   HG22  ILE   6          HG22      ILE   6  12.389   7.245  -0.398
   48   HG23  ILE   6          HG23      ILE   6  11.333   7.643  -1.753
   49   HD11  ILE   6          HD11      ILE   6  13.317   4.691  -1.928
   50   HD12  ILE   6          HD12      ILE   6  13.050   5.351  -0.314
   51   HD13  ILE   6          HD13      ILE   6  12.759   3.640  -0.627
   52    H    ASN   7           H        ASN   7   8.213   6.220   1.234
   53    HA   ASN   7           HA       ASN   7   8.303   8.832   2.114
   54    HB2  ASN   7           HB2      ASN   7   6.324   6.621   2.356
   55    HB3  ASN   7           HB3      ASN   7   6.083   8.037   3.374
   56   HD21  ASN   7          HD21      ASN   7   7.243   7.598   0.051
   57   HD22  ASN   7          HD22      ASN   7   6.096   8.668  -0.671
   58    H    LYS   8           H        LYS   8   8.148   5.893   4.119
   59    HA   LYS   8           HA       LYS   8   8.355   7.282   6.587
   60    HB2  LYS   8           HB2      LYS   8   8.466   4.445   5.705
   61    HB3  LYS   8           HB3      LYS   8   9.178   4.826   7.268
   62    HG2  LYS   8           HG2      LYS   8   7.184   5.190   8.237
   63    HG3  LYS   8           HG3      LYS   8   6.505   5.955   6.799
   64    HD2  LYS   8           HD2      LYS   8   6.209   3.765   5.763
   65    HD3  LYS   8           HD3      LYS   8   6.922   2.989   7.179
   66    HE2  LYS   8           HE2      LYS   8   4.491   4.746   7.365
   67    HE3  LYS   8           HE3      LYS   8   4.377   3.021   7.019
   68    HZ1  LYS   8           HZ1      LYS   8   4.516   2.638   9.180
   69    HZ2  LYS   8           HZ2      LYS   8   4.696   4.287   9.506
   70    HZ3  LYS   8           HZ3      LYS   8   6.060   3.329   9.218
   71    H    PHE   9           H        PHE   9  10.705   5.615   4.528
   72    HA   PHE   9           HA       PHE   9  12.928   5.783   6.194
   73    HB2  PHE   9           HB2      PHE   9  12.457   5.394   3.314
   74    HB3  PHE   9           HB3      PHE   9  14.037   6.060   3.714
   75    HD1  PHE   9           HD1      PHE   9  12.537   3.145   2.925
   76    HD2  PHE   9           HD2      PHE   9  14.952   4.782   6.024
   77    HE1  PHE   9           HE1      PHE   9  13.338   0.888   3.488
   78    HE2  PHE   9           HE2      PHE   9  15.758   2.528   6.592
   79    HZ   PHE   9           HZ       PHE   9  14.952   0.577   5.323
   80    H    ARG  10           H        ARG  10  11.507   8.168   4.044
   81    HA   ARG  10           HA       ARG  10  13.590  10.035   4.013
   82    HB2  ARG  10           HB2      ARG  10  10.804   9.952   3.255
   83    HB3  ARG  10           HB3      ARG  10  11.197  11.501   3.989
   84    HG2  ARG  10           HG2      ARG  10  11.526  11.739   1.662
   85    HG3  ARG  10           HG3      ARG  10  13.129  11.653   2.394
   86    HD2  ARG  10           HD2      ARG  10  11.756   9.215   1.306
   87    HD3  ARG  10           HD3      ARG  10  12.700  10.284   0.269
   88    HE   ARG  10           HE       ARG  10  13.705   8.434   2.235
   89   HH11  ARG  10          HH11      ARG  10  14.369  11.293   0.363
   90   HH12  ARG  10          HH12      ARG  10  16.089  11.115   0.458
   91   HH21  ARG  10          HH21      ARG  10  15.969   8.188   2.368
   92   HH22  ARG  10          HH22      ARG  10  16.999   9.348   1.598
   93    H    ILE  11           H        ILE  11  11.059   9.427   6.369
   94    HA   ILE  11           HA       ILE  11  11.631  11.775   7.924
   95    HB   ILE  11           HB       ILE  11  10.028   9.319   8.647
   96   HG12  ILE  11          HG12      ILE  11   8.663  11.878   8.155
   97   HG13  ILE  11          HG13      ILE  11   9.441  11.189   6.734
   98   HG21  ILE  11          HG21      ILE  11   9.006  11.144  10.244
   99   HG22  ILE  11          HG22      ILE  11  10.440  10.228  10.706
  100   HG23  ILE  11          HG23      ILE  11  10.606  11.866  10.073
  101   HD11  ILE  11          HD11      ILE  11   7.130  10.208   8.299
  102   HD12  ILE  11          HD12      ILE  11   7.410  10.205   6.557
  103   HD13  ILE  11          HD13      ILE  11   8.204   9.008   7.580
  104    H    VAL  12           H        VAL  12  12.293   8.302   8.236
  105    HA   VAL  12           HA       VAL  12  13.592   8.403  10.721
  106    HB   VAL  12           HB       VAL  12  14.128   6.463   8.468
  107   HG11  VAL  12          HG11      VAL  12  15.677   5.663   9.853
  108   HG12  VAL  12          HG12      VAL  12  15.149   6.718  11.166
  109   HG13  VAL  12          HG13      VAL  12  14.355   5.164  10.908
  110   HG21  VAL  12          HG21      VAL  12  12.424   5.058   9.442
  111   HG22  VAL  12          HG22      VAL  12  12.143   6.231  10.729
  112   HG23  VAL  12          HG23      VAL  12  11.730   6.634   9.062
  113    H    LYS  13           H        LYS  13  14.866   8.632   7.419
  114    HA   LYS  13           HA       LYS  13  17.557   9.095   8.414
  115    HB2  LYS  13           HB2      LYS  13  16.324   8.595   5.750
  116    HB3  LYS  13           HB3      LYS  13  17.844   9.478   5.792
  117    HG2  LYS  13           HG2      LYS  13  18.605   7.338   5.577
  118    HG3  LYS  13           HG3      LYS  13  18.595   7.497   7.335
  119    HD2  LYS  13           HD2      LYS  13  16.379   6.422   7.395
  120    HD3  LYS  13           HD3      LYS  13  16.445   6.222   5.643
  121    HE2  LYS  13           HE2      LYS  13  18.545   5.112   7.488
  122    HE3  LYS  13           HE3      LYS  13  17.097   4.210   7.047
  123    HZ1  LYS  13           HZ1      LYS  13  19.474   4.429   5.617
  124    HZ2  LYS  13           HZ2      LYS  13  18.292   5.239   4.718
  125    HZ3  LYS  13           HZ3      LYS  13  18.059   3.623   5.158