Peak 2 from n15no.peaks (10.32, 10.32, 129.30 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE1   TRP   72 + HE1   TRP   72  OK   100   100   - 100
 
    Peak 3 from n15no.peaks (7.72, 7.72, 126.92 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     HIS   51 + H     HIS   51  OK   100   100   - 100
 
    Peak 4 from n15no.peaks (8.30, 8.30, 125.12 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     TYR   52 + H     TYR   52  OK   100   100   - 100
 
    Peak 5 from n15no.peaks (8.43, 8.43, 123.79 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     ARG   44 + H     ARG   44  OK   100   100   - 100
      H     GLU   54 + H     GLU   54  OK    75    75   - 100
 
    Peak 6 from n15no.peaks (8.96, 8.96, 123.63 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     VAL   88 + H     VAL   88  OK   100   100   - 100
 
    Peak 7 from n15no.peaks (8.25, 8.25, 123.25 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU  125 + H     GLU  125  OK   100   100   - 100
 
    Peak 8 from n15no.peaks (6.89, 6.89, 122.73 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     PHE   50 + H     PHE   50  OK   100   100   - 100
 
    Peak 9 from n15no.peaks (8.03, 8.03, 122.12 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ARG   78 + H     ARG   78  OK   100   100   - 100
 
    Peak 10 from n15no.peaks (8.58, 8.58, 122.04 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU   60 + H     GLU   60  OK   100   100   - 100
 
    Peak 12 from n15no.peaks (7.95, 7.95, 121.30 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA  115 + H     ALA  115  OK   100   100   - 100
 
    Peak 13 from n15no.peaks (7.79, 7.79, 121.29 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA   61 + H     ALA   61  OK   100   100   - 100
 
    Peak 14 from n15no.peaks (7.73, 7.73, 121.10 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA   63 + H     ALA   63  OK   100   100   - 100
 
    Peak 15 from n15no.peaks (7.88, 7.88, 121.03 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA   42 + H     ALA   42  OK   100   100   - 100
 
    Peak 16 from n15no.peaks (8.00, 8.00, 120.99 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ARG  124 + H     ARG  124  OK   100   100   - 100
 
    Peak 18 from n15no.peaks (7.83, 7.83, 120.84 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU  114 + H     GLU  114  OK   100   100   - 100
 
    Peak 19 from n15no.peaks (7.64, 7.64, 120.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU  122 + H     LEU  122  OK   100   100   - 100
 
    Peak 20 from n15no.peaks (8.59, 8.59, 120.69 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     CYS   69 + H     CYS   69  OK   100   100   - 100
 
    Peak 21 from n15no.peaks (8.63, 8.63, 120.45 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   65 + H     LEU   65  OK   100   100   - 100
 
    Peak 22 from n15no.peaks (7.86, 7.86, 120.30 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA   43 + H     ALA   43  OK   100   100   - 100
 
    Peak 23 from n15no.peaks (9.15, 9.15, 120.25 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     PHE   92 + H     PHE   92  OK   100   100   - 100
 
    Peak 24 from n15no.peaks (8.39, 8.39, 120.25 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ASP  120 + H     ASP  120  OK   100   100   - 100
 
    Peak 25 from n15no.peaks (7.76, 7.76, 120.22 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA  117 + H     ALA  117  OK   100   100   - 100
 
    Peak 26 from n15no.peaks (8.40, 8.40, 119.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA   55 + H     ALA   55  OK   100   100   - 100
 
    Peak 27 from n15no.peaks (7.39, 7.39, 119.79 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU   67 + H     GLU   67  OK   100   100   - 100
 
    Peak 28 from n15no.peaks (8.51, 8.51, 119.75 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     ALA  116 + H     ALA  116  OK   100   100   - 100
      H     LEU   68 + H     LEU   68  OK    70    70   - 100
 
    Peak 29 from n15no.peaks (7.80, 7.80, 119.44 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     ARG  123 + H     ARG  123  OK   100   100   - 100
      H     LEU  118 + H     LEU  118  OK    22    22   - 100
 
    Peak 30 from n15no.peaks (7.90, 7.90, 119.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     VAL  119 + H     VAL  119  OK   100   100   - 100
 
    Peak 31 from n15no.peaks (8.68, 8.68, 119.18 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ARG   66 + H     ARG   66  OK   100   100   - 100
 
    Peak 32 from n15no.peaks (6.93, 6.93, 119.17 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   96 + H     LEU   96  OK   100   100   - 100
 
    Peak 33 from n15no.peaks (9.83, 9.83, 119.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU   76 + H     GLU   76  OK   100   100   - 100
 
    Peak 34 from n15no.peaks (7.92, 7.92, 119.05 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLN   91 + H     GLN   91  OK   100   100   - 100
 
    Peak 35 from n15no.peaks (8.24, 8.24, 119.02 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     MET   83 + H     MET   83  OK   100   100   - 100
 
    Peak 36 from n15no.peaks (8.58, 8.58, 118.94 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLN  105 + H     GLN  105  OK   100   100   - 100
 
    Peak 37 from n15no.peaks (8.31, 8.31, 118.84 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLN   71 + H     GLN   71  OK   100   100   - 100
 
    Peak 38 from n15no.peaks (8.05, 8.05, 118.79 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   84 + H     LEU   84  OK   100   100   - 100
 
    Peak 39 from n15no.peaks (7.19, 7.19, 118.75 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   86 + H     LEU   86  OK   100   100   - 100
 
    Peak 40 from n15no.peaks (7.96, 7.96, 118.73 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ARG   70 + H     ARG   70  OK   100   100   - 100
 
    Peak 41 from n15no.peaks (7.85, 7.85, 118.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLN   82 + H     GLN   82  OK   100   100   - 100
 
    Peak 42 from n15no.peaks (8.08, 8.08, 118.45 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA  102 + H     ALA  102  OK   100   100   - 100
 
    Peak 43 from n15no.peaks (7.65, 7.65, 118.26 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     PHE   47 + H     PHE   47  OK   100   100   - 100
 
    Peak 44 from n15no.peaks (7.46, 7.46, 118.05 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLN  107 + H     GLN  107  OK   100   100   - 100
 
    Peak 45 from n15no.peaks (7.54, 7.54, 118.02 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ARG   46 + H     ARG   46  OK   100   100   - 100
 
    Peak 46 from n15no.peaks (8.49, 8.49, 118.12 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLN   59 + H     GLN   59  OK   100   100   - 100
 
    Peak 47 from n15no.peaks (7.97, 7.97, 117.89 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     VAL  104 + H     VAL  104  OK   100   100   - 100
      H     GLU   41 + H     GLU   41  OK    85    85   - 100
 
    Peak 48 from n15no.peaks (8.11, 8.11, 117.62 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   45 + H     LEU   45  OK   100   100   - 100
 
    Peak 49 from n15no.peaks (7.87, 7.87, 117.57 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU   85 + H     GLU   85  OK   100   100   - 100
 
    Peak 50 from n15no.peaks (9.55, 9.55, 117.56 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU   99 + H     GLU   99  OK   100   100   - 100
 
    Peak 51 from n15no.peaks (8.93, 8.93, 117.42 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU  113 + H     GLU  113  OK   100   100   - 100
 
    Peak 52 from n15no.peaks (7.36, 7.36, 117.12 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * H     ARG  103 + H     ARG  103  OK   100   100   - 100
      H     ILE  100 + H     ILE  100  OK    98    98   - 100
      H     TRP   72 + H     TRP   72  OK    89    89   - 100
 
    Peak 53 from n15no.peaks (8.71, 8.71, 116.92 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU   81 + H     GLU   81  OK   100   100   - 100
 
    Peak 54 from n15no.peaks (8.12, 8.12, 116.72 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   62 + H     LEU   62  OK   100   100   - 100
 
    Peak 55 from n15no.peaks (7.75, 7.75, 116.53 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU   90 + H     GLU   90  OK   100   100   - 100
 
    Peak 56 from n15no.peaks (8.02, 8.02, 116.42 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ARG  108 + H     ARG  108  OK   100   100   - 100
 
    Peak 57 from n15no.peaks (7.95, 7.94, 115.44 ppm; diagonal):
    1 out of 1 assignment used, quality = 0.99:
    * H     GLY  128 + H     GLY  128  OK    99    99   - 100
 
    Peak 58 from n15no.peaks (8.54, 8.54, 115.25 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     SER   79 + H     SER   79  OK   100   100   - 100
 
    Peak 59 from n15no.peaks (8.03, 8.03, 115.23 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     CYS   49 + H     CYS   49  OK   100   100   - 100
 
    Peak 60 from n15no.peaks (8.13, 8.13, 115.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   93 + H     LEU   93  OK   100   100   - 100
 
    Peak 61 from n15no.peaks (7.99, 7.99, 115.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   73 + H     LEU   73  OK   100   100   - 100
 
    Peak 62 from n15no.peaks (7.78, 7.78, 114.15 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     VAL   77 + H     VAL   77  OK   100   100   - 100
 
    Peak 63 from n15no.peaks (8.35, 8.35, 112.81 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ARG   74 + H     ARG   74  OK   100   100   - 100
 
    Peak 64 from n15no.peaks (7.62, 7.62, 112.44 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE21  GLN  101 + HE21  GLN  101  OK   100   100   - 100
 
    Peak 65 from n15no.peaks (6.71, 6.71, 112.45 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE22  GLN  101 + HE22  GLN  101  OK   100   100   - 100
 
    Peak 66 from n15no.peaks (7.49, 7.49, 112.33 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE21  GLN  107 + HE21  GLN  107  OK   100   100   - 100
 
    Peak 67 from n15no.peaks (6.90, 6.90, 112.33 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE22  GLN  107 + HE22  GLN  107  OK   100   100   - 100
 
    Peak 68 from n15no.peaks (8.37, 8.37, 112.28 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ARG   48 + H     ARG   48  OK   100   100   - 100
 
    Peak 69 from n15no.peaks (7.62, 7.62, 111.94 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE21  GLN   59 + HE21  GLN   59  OK   100   100   - 100
 
    Peak 70 from n15no.peaks (6.91, 6.91, 111.94 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE22  GLN   59 + HE22  GLN   59  OK   100   100   - 100
 
    Peak 71 from n15no.peaks (7.86, 7.86, 111.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE21  GLN   71 + HE21  GLN   71  OK   100   100   - 100
 
    Peak 72 from n15no.peaks (6.72, 6.72, 111.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE22  GLN   71 + HE22  GLN   71  OK   100   100   - 100
 
    Peak 73 from n15no.peaks (7.45, 7.45, 111.47 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     SER  111 + H     SER  111  OK   100   100   - 100
 
    Peak 74 from n15no.peaks (7.65, 7.65, 110.83 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE21  GLN   64 + HE21  GLN   64  OK   100   100   - 100
 
    Peak 75 from n15no.peaks (6.87, 6.87, 110.81 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE22  GLN   64 + HE22  GLN   64  OK   100   100   - 100
 
    Peak 76 from n15no.peaks (7.26, 7.26, 110.68 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE21  GLN  105 + HE21  GLN  105  OK   100   100   - 100
 
    Peak 77 from n15no.peaks (6.70, 6.70, 110.68 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE22  GLN  105 + HE22  GLN  105  OK   100   100   - 100
 
    Peak 78 from n15no.peaks (7.72, 7.72, 110.06 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     THR   56 + H     THR   56  OK   100   100   - 100
 
    Peak 79 from n15no.peaks (8.49, 8.49, 109.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLY  127 + H     GLY  127  OK   100   100   - 100
 
    Peak 80 from n15no.peaks (8.58, 8.58, 109.53 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLY   39 + H     GLY   39  OK   100   100   - 100
 
    Peak 81 from n15no.peaks (7.62, 7.62, 108.98 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLY   57 + H     GLY   57  OK   100   100   - 100
 
    Peak 82 from n15no.peaks (8.92, 8.92, 107.40 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLY  110 + H     GLY  110  OK   100   100   - 100
 
    Peak 83 from n15no.peaks (7.97, 7.97, 105.36 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLY  121 + H     GLY  121  OK   100   100   - 100
 
    Peak 84 from n15no.peaks (7.78, 7.78, 104.10 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLY   94 + H     GLY   94  OK   100   100   - 100
 
    Peak 85 from n15no.peaks (9.09, 9.09, 119.98 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LYS   80 + H     LYS   80  OK   100   100   - 100
 
    Peak 87 from n15no.peaks (8.45, 8.45, 126.41 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLU   53 + H     GLU   53  OK   100   100   - 100
 
    Peak 89 from n15no.peaks (6.67, 6.67, 114.91 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE21  GLN   91 + HE21  GLN   91  OK   100   100   - 100
 
    Peak 90 from n15no.peaks (8.07, 8.07, 106.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLY  106 + H     GLY  106  OK   100   100   - 100
 
    Peak 93 from n15no.peaks (8.50, 8.50, 120.82 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     GLN  101 + H     GLN  101  OK   100   100   - 100
      H     LEU   89 + H     LEU   89  OK    81    81   - 100
 
    Peak 94 from n15no.peaks (8.51, 8.51, 120.96 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     LEU   89 + H     LEU   89  OK   100   100   - 100
      H     GLN  101 + H     GLN  101  OK    81    81   - 100
 
    Peak 95 from n15no.peaks (7.61, 7.61, 121.42 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     ALA   95 + H     ALA   95  OK   100   100   - 100
 
    Peak 96 from n15no.peaks (7.57, 7.57, 121.37 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     LEU   87 + H     LEU   87  OK   100   100   - 100
 
    Peak 97 from n15no.peaks (7.83, 7.83, 119.62 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     LEU  118 + H     LEU  118  OK   100   100   - 100
      H     ARG  123 + H     ARG  123  OK    22    22   - 100
 
    Peak 98 from n15no.peaks (7.96, 7.96, 118.08 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     GLU   41 + H     GLU   41  OK   100   100   - 100
      H     VAL  104 + H     VAL  104  OK    85    85   - 100
 
    Peak 99 from n15no.peaks (8.13, 8.13, 118.48 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * H     GLN   64 + H     GLN   64  OK   100   100   - 100
 
    Peak 100 from n15no.peaks (6.44, 6.44, 114.91 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE22  GLN   91 + HE22  GLN   91  OK   100   100   - 100
 
    Peak 102 from n15no.peaks (8.44, 8.44, 123.96 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     GLU   54 + H     GLU   54  OK   100   100   - 100
      H     ARG   44 + H     ARG   44  OK    75    75   - 100
 
    Peak 103 from n15no.peaks (8.51, 8.51, 119.52 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * H     LEU   68 + H     LEU   68  OK   100   100   - 100
      H     ALA  116 + H     ALA  116  OK    70    70   - 100
 
    Peak 104 from n15no.peaks (7.34, 7.34, 117.18 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * H     TRP   72 + H     TRP   72  OK   100   100   - 100
      H     ARG  103 + H     ARG  103  OK    89    89   - 100
      H     ILE  100 + H     ILE  100  OK    77    77   - 100
 
    Peak 105 from n15no.peaks (7.36, 7.36, 117.18 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * H     ILE  100 + H     ILE  100  OK   100   100   - 100
      H     ARG  103 + H     ARG  103  OK    98    98   - 100
      H     TRP   72 + H     TRP   72  OK    77    77   - 100
 
    Peak 106 from n15no.peaks (-0.64, 7.99, 115.01 ppm; 4.22 A increased from 3.75 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + H     LEU   73  OK   100   100 100 100  2.9-4.0   1789=99, 2.1/1928=85, 1783/3.0=77, 2.1/1936=73...(24)
    Violated in 0 structures by 0.00 A.
 
    Peak 108 from n15no.peaks (9.93, 9.93, 118.12 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE    ARG   48 + HE    ARG   48  OK   100   100   - 100
 
    Peak 109 from n15no.peaks (9.03, 9.00, 116.95 ppm; 4.09 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 110 from n15no.peaks (8.64, 8.63, 113.45 ppm; diagonal):
    1 out of 1 assignment used, quality = 0.99:
    * HE    ARG   44 + HE    ARG   44  OK    99    99   - 100
 
    Peak 111 from n15no.peaks (3.81, 7.39, 119.79 ppm; 4.12 A):
    1 out of 4 assignments used, quality = 0.97:
      HA    ARG   66 + H     GLU   67  OK    97    97 100 100  3.5-3.5   3.6=100
      HA    LEU   62 - H     GLU   67  far    0    60   0   -  6.0-6.4
      HA    GLU   81 - H     GLU   67  far    0    76   0   -  8.0-9.7
      HA    LYS   80 - H     GLU   67  far    0    83   0   -  9.0-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 113 from n15no.peaks (4.53, 8.58, 109.53 ppm; 3.80 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    PRO   38 + H     GLY   39  OK    97    97 100 100  2.7-3.6   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 114 from n15no.peaks (4.75, 8.58, 109.53 ppm; 3.78 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 118 from n15no.peaks (4.48, 7.96, 118.08 ppm; 3.53 A):
    1 out of 2 assignments used, quality = 0.96:
      HA    GLU   41 + H     GLU   41  OK    96    96 100 100  2.8-2.9   3.0=100
      HA    PRO  109 - H     VAL  104  far    0    72   0   -  9.5-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 120 from n15no.peaks (4.47, 7.88, 121.03 ppm; 4.08 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    GLU   41 + H     ALA   42  OK    99    99 100 100  3.5-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 121 from n15no.peaks (8.44, 7.86, 120.30 ppm; 3.58 A):
    1 out of 1 assignment used, quality = 0.91:
      H     ARG   44 + H     ALA   43  OK    91    92 100  99  2.3-2.6   123=91, 716/2.9=60, 160/129=32, 579/4.7=29...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 122 from n15no.peaks (8.12, 8.43, 123.79 ppm; 3.89 A):
    1 out of 2 assignments used, quality = 0.93:
      H     LEU   45 + H     ARG   44  OK    93    93 100 100  2.5-2.9   124=91, 4.6/710=40, 4.6/708=38, 125/127=37...(19)
      H     LEU   62 - H     GLU   54  far    0    81   0   -  9.3-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 123 from n15no.peaks (7.86, 8.43, 123.79 ppm; 3.58 A):
    1 out of 3 assignments used, quality = 0.99:
      H     ALA   43 + H     ARG   44  OK    99    99 100  99  2.3-2.6   121=91, 1654/3.5=56, 129/128=30, 4.7/579=25...(12)
      H     ALA   42 - H     ARG   44  far    0    97   0   -  3.7-4.3
      HE21  GLN   71 - H     ARG   44  far    0   100   0   -  7.5-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 124 from n15no.peaks (8.44, 8.11, 117.62 ppm; 3.69 A):
    1 out of 1 assignment used, quality = 0.98:
      H     ARG   44 + H     LEU   45  OK    98    98 100 100  2.5-2.9   122=78, 715/4.6=37, 160/130=36, 708/4.6=33...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 125 from n15no.peaks (7.55, 8.11, 117.62 ppm; 3.57 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG   46 + H     LEU   45  OK    99    99 100 100  2.5-2.9   126=98, 665/685=46, 664/684=39, 667/687=37...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 126 from n15no.peaks (8.11, 7.54, 118.02 ppm; 3.42 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   45 + H     ARG   46  OK    99   100 100 100  2.5-2.9   125=86, 685/665=42, 684/664=35, 687/667=34...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 127 from n15no.peaks (8.41, 7.54, 118.02 ppm; 4.42 A):
    1 out of 1 assignment used, quality = 0.89:
      H     ARG   44 + H     ARG   46  OK    89    92  98 100  3.7-4.4   3.6/1576=62, 4.6/126=55, 2.9/663=53, 3.5/1653=31...(16)
    Violated in 1 structures by 0.01 A.
 
    Peak 128 from n15no.peaks (4.47, 8.43, 123.79 ppm; 4.01 A):
    1 out of 1 assignment used, quality = 0.90:
      HA    GLU   41 + H     ARG   44  OK    90    99 100  91  3.1-3.7   130/124=44, 3.6/579=42, 129/123=42, 52/647=30...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 129 from n15no.peaks (4.48, 7.86, 120.30 ppm; 4.63 A):
    1 out of 1 assignment used, quality = 0.80:
      HA    GLU   41 + H     ALA   43  OK    80    92  90  97  3.9-4.8   160/121=69, 5.0/698=56, 5.3/740=43, 6.9=30...(6)
    Violated in 6 structures by 0.04 A.
 
    Peak 130 from n15no.peaks (4.47, 8.11, 117.62 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 0.75:
      HA    GLU   41 + H     LEU   45  OK    75   100  88  85  3.6-4.7   160/124=63, 5.4/680=40, 650/7.0=21, 129/7.9=15
    Violated in 4 structures by 0.04 A.
 
    Peak 131 from n15no.peaks (7.24, 7.65, 118.26 ppm; 4.27 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    PHE   47 + H     PHE   47  OK    99    99 100 100  3.4-4.0   4.5=84, 2.4/674=81, 2.4/675=80, 101/3.0=75...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 132 from n15no.peaks (8.38, 7.65, 118.26 ppm; 3.79 A):
    1 out of 1 assignment used, quality = 0.98:
      H     ARG   48 + H     PHE   47  OK    98    99 100 100  2.4-2.6   136=91, 743/675=39, 742/674=39, 322/131=32...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 133 from n15no.peaks (4.42, 7.65, 118.26 ppm; 3.94 A):
    1 out of 1 assignment used, quality = 0.98:
      HA    PHE   47 + H     PHE   47  OK    98    98 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 134 from n15no.peaks (4.05, 8.44, 123.96 ppm; 3.94 A):
    1 out of 5 assignments used, quality = 0.80:
      HA    ALA   43 + H     ARG   44  OK    80    80 100 100  3.5-3.6   3.6=100
      HA    ALA   42 - H     ARG   44  far    0    80   0   -  4.1-4.7
      HA    LEU   68 - H     ARG   44  far    0    72   0   -  6.6-7.9
      HA3   GLY   39 - H     ARG   44  far    0    78   0   -  7.0-7.7
      HA    LEU   96 - H     GLU   54  far    0    95   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 135 from n15no.peaks (8.04, 8.37, 112.28 ppm; 3.69 A):
    1 out of 1 assignment used, quality = 0.95:
      H     CYS   49 + H     ARG   48  OK    95    96 100 100  2.3-2.5   138=96, 762/3.2=49, 4.3/747=36, 759/1958=25...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 136 from n15no.peaks (7.65, 8.37, 112.28 ppm; 3.89 A):
    1 out of 1 assignment used, quality = 1.00:
      H     PHE   47 + H     ARG   48  OK   100   100 100 100  2.4-2.6   132=99, 675/743=42, 674/742=42, 676/745=34...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 137 from n15no.peaks (7.25, 8.37, 112.28 ppm; 4.60 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    PHE   47 + H     ARG   48  OK    99    99 100 100  2.5-3.4   322=80, 2.4/742=77, 2.4/743=76, 101/3.6=73...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 138 from n15no.peaks (8.37, 8.03, 115.23 ppm; 3.44 A):
    1 out of 1 assignment used, quality = 0.98:
      H     ARG   48 + H     CYS   49  OK    98   100 100  98  2.3-2.5   135=77, 3.2/762=44, 747/4.3=31, 1958/759=22...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 139 from n15no.peaks (6.89, 8.03, 115.23 ppm; 3.34 A):
    1 out of 1 assignment used, quality = 1.00:
      H     PHE   50 + H     CYS   49  OK   100   100 100 100  2.1-2.5   141=100, 773/760=31, 770/3.6=30, 4.7/761=30...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 140 from n15no.peaks (7.72, 6.89, 122.73 ppm; 4.67 A increased from 4.15 A):
    1 out of 1 assignment used, quality = 1.00:
      H     HIS   51 + H     PHE   50  OK   100   100 100 100  4.6-4.6   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 141 from n15no.peaks (8.03, 6.89, 122.73 ppm; 3.32 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYS   49 + H     PHE   50  OK   100   100 100 100  2.1-2.5   139=98, 760/773=31, 3.6/770=29, 761/4.7=29...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 142 from n15no.peaks (7.03, 7.72, 126.92 ppm; 3.92 A):
    1 out of 3 assignments used, quality = 0.97:
      QD    PHE   50 + H     HIS   51  OK    97    97 100 100  3.0-3.3   75=92, 81/796=71, 2.5/781=57, 2.2/76=47...(11)
      HD2   HIS   51 - H     HIS   51  far    0   100   0   -  5.2-5.3
      QE    PHE   92 - H     HIS   51  far    0    92   0   -  8.2-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 143 from n15no.peaks (6.89, 7.72, 126.92 ppm; 4.75 A increased from 4.23 A):
    1 out of 3 assignments used, quality = 1.00:
      H     PHE   50 + H     HIS   51  OK   100   100 100 100  4.6-4.6   4.6=100
      QD    PHE   92 - H     HIS   51  far    0    71   0   -  7.2-8.3
      HE22  GLN   64 - H     HIS   51  far    0    78   0   -  8.4-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 144 from n15no.peaks (4.73, 7.72, 126.92 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    HIS   51 + H     HIS   51  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 145 from n15no.peaks (4.53, 6.89, 122.73 ppm; 3.94 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    CYS   49 + H     PHE   50  OK   100   100 100 100  3.3-3.4   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 146 from n15no.peaks (4.54, 8.03, 115.23 ppm; 3.67 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    CYS   49 + H     CYS   49  OK    99    99 100 100  2.8-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 147 from n15no.peaks (4.31, 8.37, 112.28 ppm; 4.69 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 148 from n15no.peaks (7.73, 8.30, 125.12 ppm; 4.73 A):
    1 out of 2 assignments used, quality = 1.00:
      H     HIS   51 + H     TYR   52  OK   100   100 100 100  4.4-4.5   4.6=100
      H     THR   56 - H     TYR   52  far    0    95   0   -  8.7-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 149 from n15no.peaks (6.83, 8.30, 125.12 ppm; 4.41 A increased from 4.15 A):
    1 out of 1 assignment used, quality = 0.92:
      QD    TYR   52 + H     TYR   52  OK    92    92 100 100  4.0-4.2   2.1/791=94, 4.6=90, 41/3.0=79, 61/4.6=49...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 150 from n15no.peaks (6.82, 8.45, 126.41 ppm; 4.40 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    TYR   52 + H     GLU   53  OK    99    99 100 100  2.3-3.5   61=98, 41/2073=80, 2088/2093=51, 244/1672=49...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 151 from n15no.peaks (4.73, 8.30, 125.12 ppm; 3.17 A):
    1 out of 1 assignment used, quality = 0.95:
      HA    HIS   51 + H     TYR   52  OK    95   100 100  95  2.2-2.2   3.6=70, 3.0/790=39, 1718/1727=34, 3.0/2054=32...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 152 from n15no.peaks (7.04, 8.30, 125.12 ppm; 4.75 A):
    2 out of 3 assignments used, quality = 1.00:
      HD2   HIS   51 + H     TYR   52  OK   100   100 100 100  3.2-3.3   4.0/790=67, 69/3.0=65, 4.8/151=63, 4.0/2054=60...(10)
      QD    PHE   50 + H     TYR   52  OK    90    92  98 100  3.9-4.8   1722/1727=73, 142/4.6=57, ~72=53, ~2071=49...(14)
      QE    PHE   92 - H     TYR   52  far    0    97   0   -  5.7-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 153 from n15no.peaks (7.72, 8.40, 119.93 ppm; 3.86 A):
    1 out of 2 assignments used, quality = 1.00:
      H     THR   56 + H     ALA   55  OK   100   100 100 100  2.5-2.7   154=96, 1707/2.9=66, 4.0/812=38, 813/3.6=37...(10)
      H     HIS   51 - H     ALA   55  far    0   100   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 154 from n15no.peaks (8.40, 7.72, 110.06 ppm; 3.90 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ALA   55 + H     THR   56  OK   100   100 100 100  2.5-2.7   153=100, 2.9/1707=67, 812/4.0=39, 3.6/813=38...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 155 from n15no.peaks (4.28, 7.72, 110.06 ppm; 3.03 A):
    2 out of 3 assignments used, quality = 0.97:
      HB    THR   56 + H     THR   56  OK    93    97 100  95  2.5-2.8   110/3.0=52, 2.1/818=44, 2119=44, 2103/814=23...(9)
      HA    THR   56 + H     THR   56  OK    65    65 100 100  2.9-2.9   3.0=100
      HA    ALA   55 - H     THR   56  far    0   100   0   -  3.5-3.5
    Violated in 0 structures by 0.00 A.
 
    Peak 156 from n15no.peaks (4.26, 8.40, 119.93 ppm; 3.36 A):
    2 out of 4 assignments used, quality = 0.92:
      HA    ALA   55 + H     ALA   55  OK    89    89 100 100  2.8-2.8   3.0=100
      HA    GLU   53 + H     ALA   55  OK    28    60  55  86  3.4-3.6   3905=35, 3.0/810=33, 2182/3.6=29, 721/4.7=26...(7)
      HB    THR   56 - H     ALA   55  far    0    63   0   -  4.7-5.1
      HA    THR   56 - H     ALA   55  far    0    98   0   -  5.2-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 158 from n15no.peaks (4.44, 7.62, 108.98 ppm; 3.33 A):
    1 out of 2 assignments used, quality = 0.92:
      HA2   GLY   57 + H     GLY   57  OK    92    92 100 100  2.3-2.4   2.9=100
      HA    PRO  126 - H     GLY   57  far    0   100   0   -  8.5-19.0
    Violated in 0 structures by 0.00 A.
 
    Peak 159 from n15no.peaks (8.44, 7.62, 108.98 ppm; 4.79 A):
    2 out of 2 assignments used, quality = 1.00:
      H     GLU   54 + H     GLY   57  OK    99   100 100  99  4.6-4.7   3.0/821=81, 3.2/822=67, 4.4/825=48, 5.7/826=40...(7)
      H     GLU   53 + H     GLY   57  OK    83    98  88  97  4.7-4.9   1775/827=56, 5.5/822=42, 6.0/821=40, 6.6/400=29...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 160 from n15no.peaks (4.47, 8.44, 123.96 ppm; 3.80 A):
    1 out of 1 assignment used, quality = 0.70:
      HA    GLU   41 + H     ARG   44  OK    70    79 100  89  3.1-3.7   3.6/579=44, 130/124=40, 129/121=38, 52/54=25...(7)
    Violated in 1 structures by 0.00 A.
 
    Peak 161 from n15no.peaks (8.13, 8.49, 118.12 ppm; 5.35 A increased from 4.76 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   62 + H     GLN   59  OK    97    97 100 100  4.8-5.1   877/2.9=89, 173/162=73, 875/3.6=69, 2214/3.3=66...(12)
      H     GLN   64 - H     GLN   59  far    0   100   0   -  7.9-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 162 from n15no.peaks (7.80, 8.49, 118.12 ppm; 4.75 A increased from 4.23 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ALA   61 + H     GLN   59  OK    98    98 100 100  4.3-4.5   172/4.6=66, 872/3.6=64, 173/161=51, 2213/837=50...(14)
      H     ARG  123 - H     GLN   59  far    0    99   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 163 from n15no.peaks (7.63, 8.49, 118.12 ppm; 4.61 A):
    1 out of 3 assignments used, quality = 0.98:
      HE21  GLN   59 + H     GLN   59  OK    98    98 100 100  3.1-3.5   165=98, 1.7/164=77, 4.0/837=76, 3.5/835=67...(15)
      H     GLY   57 - H     GLN   59  far    0    97   0   -  6.0-6.2
      HE21  GLN   64 - H     GLN   59  far    0    71   0   -  8.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 164 from n15no.peaks (6.92, 8.49, 118.12 ppm; 4.71 A):
    1 out of 2 assignments used, quality = 0.97:
      HE22  GLN   59 + H     GLN   59  OK    97    97 100 100  3.2-4.3   1.7/165=88, 4.0/837=78, 3.5/835=69, 167=67...(16)
      QD    PHE   92 - H     GLN   59  far    0    99   0   -  6.6-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 165 from n15no.peaks (8.50, 7.62, 111.94 ppm; 4.28 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLN   59 + HE21  GLN   59  OK   100   100 100 100  3.1-3.5   163=78, 837/4.0=68, 164/1.7=66, 835/3.5=59...(15)
      H     ALA  116 - HE21  GLN   59  far    0    97   0   -  5.5-6.4
      H     GLY  127 - HE21  GLN   59  far    0   100   0   -  8.1-20.9
    Violated in 0 structures by 0.00 A.
 
    Peak 166 from n15no.peaks (7.62, 6.91, 111.94 ppm; 2.40 A):
    1 out of 3 assignments used, quality = 1.00:
      HE21  GLN   59 + HE22  GLN   59  OK   100   100 100 100  1.7-1.7   1.7=100
      H     LEU  122 - HE22  GLN   59  far    0    71   0   -  8.5-9.6
      H     GLY   57 - HE22  GLN   59  far    0   100   0   -  9.1-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 167 from n15no.peaks (8.50, 6.91, 111.94 ppm; 4.45 A):
    2 out of 3 assignments used, quality = 1.00:
      H     GLN   59 + HE22  GLN   59  OK   100   100 100 100  3.2-4.3   165/1.7=82, 164=82, 837/4.0=72, 835/3.5=63...(16)
      H     ALA  116 + HE22  GLN   59  OK    46    97  48 100  4.2-5.4   2.9/856=75, ~850=52, ~1658=47, 978/857=40...(13)
      H     GLY  127 - HE22  GLN   59  far    0   100   0   -  9.4-21.6
    Violated in 0 structures by 0.00 A.
 
    Peak 168 from n15no.peaks (6.93, 7.62, 111.94 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 0.85:
      HE22  GLN   59 + HE21  GLN   59  OK    85    85 100 100  1.7-1.7   1.7=100
      QD    PHE   92 - HE21  GLN   59  far    0    92   0   -  7.8-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 169 from n15no.peaks (4.61, 8.49, 118.12 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   58 + H     GLN   59  OK   100   100 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 170 from n15no.peaks (4.44, 8.49, 118.12 ppm; 4.54 A):
    1 out of 1 assignment used, quality = 0.92:
      HA2   GLY   57 + H     GLN   59  OK    92    92 100 100  4.4-4.5   1.8/831=88, 3.7/832=63, 3.7/834=63, 2130=50...(7)
    Violated in 2 structures by 0.00 A.
 
    Peak 171 from n15no.peaks (8.11, 8.58, 122.04 ppm; 4.65 A increased from 4.38 A):
    1 out of 2 assignments used, quality = 0.95:
      H     LEU   62 + H     GLU   60  OK    95    95 100 100  4.0-4.5   175=93, 177/172=81, 877/3.6=66, 882/1671=58...(15)
      H     GLN   64 - H     GLU   60  far    0    78   0   -  6.2-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 172 from n15no.peaks (7.80, 8.58, 122.04 ppm; 3.18 A):
    1 out of 1 assignment used, quality = 0.98:
      H     ALA   61 + H     GLU   60  OK    98    99 100  99  2.6-2.9   174=87, 891/2250=37, 4.2/862=34, 2.9/1671=28...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 173 from n15no.peaks (8.12, 7.79, 121.29 ppm; 3.27 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   62 + H     ALA   61  OK   100   100 100 100  2.7-3.0   177=100, 882/2.9=55, 175/172=29, 875/872=22...(18)
      H     GLN   64 - H     ALA   61  far    0   100   0   -  4.8-5.0
    Violated in 0 structures by 0.00 A.
 
    Peak 174 from n15no.peaks (8.58, 7.79, 121.29 ppm; 3.31 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   60 + H     ALA   61  OK   100   100 100 100  2.6-2.9   172=99, 2250/891=42, 862/4.2=37, 1671/2.9=32...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 175 from n15no.peaks (8.59, 8.12, 116.72 ppm; 4.63 A increased from 4.12 A):
    1 out of 1 assignment used, quality = 0.98:
      H     GLU   60 + H     LEU   62  OK    98    98 100 100  4.0-4.5   171=91, 172/177=84, 3.6/877=70, 1671/882=65...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 176 from n15no.peaks (7.73, 8.12, 116.72 ppm; 3.16 A):
    1 out of 4 assignments used, quality = 0.96:
      H     ALA   63 + H     LEU   62  OK    96   100 100  96  2.6-3.0   899/883=43, 179=42, 901/885=34, 904/888=22...(14)
      H     THR   56 - H     LEU   62  far    0    92   0   -  8.4-9.4
      H     ALA  117 - H     LEU   62  far    0    60   0   -  8.8-9.2
      H     HIS   51 - H     LEU   62  far    0    99   0   -  9.1-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 177 from n15no.peaks (7.79, 8.12, 116.72 ppm; 3.09 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ALA   61 + H     LEU   62  OK    99   100 100  99  2.7-3.0   173=84, 2.9/882=49, 172/175=25, 872/875=19...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 178 from n15no.peaks (7.80, 7.73, 121.10 ppm; 3.31 A):
    0 out of 1 assignment used, quality = 0.00:
      H     ALA   61 + H     ALA   63  far    0    99   0   -  4.0-4.6
    Violated in 20 structures by 1.12 A.
 
    Peak 179 from n15no.peaks (8.12, 7.73, 121.10 ppm; 2.83 A):
    2 out of 2 assignments used, quality = 0.98:
      H     GLN   64 + H     ALA   63  OK    94    99 100  94  2.5-2.8   180=69, 911/900=43, 201/202=18, 907/895=18...(15)
      H     LEU   62 + H     ALA   63  OK    67   100  70  96  2.6-3.0   176=72, 883/899=34, 885/901=27, 888/904=17...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 180 from n15no.peaks (7.74, 8.13, 118.48 ppm; 3.19 A):
    1 out of 3 assignments used, quality = 0.94:
      H     ALA   63 + H     GLN   64  OK    94    99 100  96  2.5-2.8   179=57, 900/911=54, 202/201=28, 895/907=24...(15)
      H     HIS   51 - H     GLN   64  far    0    97   0   -  9.2-9.5
      H     THR   56 - H     GLN   64  far    0    83   0   - 10.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 181 from n15no.peaks (8.65, 8.13, 118.48 ppm; 3.29 A):
    1 out of 2 assignments used, quality = 0.82:
      H     LEU   65 + H     GLN   64  OK    82    83 100  99  2.4-2.5   201=75, 931/909=35, 1698/1697=29, 2352/908=29...(17)
      H     ARG   66 - H     GLN   64  far    0    65   0   -  3.8-4.3
    Violated in 0 structures by 0.00 A.
 
    Peak 182 from n15no.peaks (6.87, 7.65, 110.83 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 1.00:
      HE22  GLN   64 + HE21  GLN   64  OK   100   100 100 100  1.7-1.7   1.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 183 from n15no.peaks (7.66, 6.87, 110.81 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 0.99:
      HE21  GLN   64 + HE22  GLN   64  OK    99    99 100 100  1.7-1.7   1.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 184 from n15no.peaks (4.28, 6.87, 110.81 ppm; 4.34 A):
    0 out of 2 assignments used, quality = 0.00:
      HB    THR   56 + HE22  GLN   64  far    0    97   0   -  4.8-5.9
      HA    THR   56 + HE22  GLN   64  far    0    65   0   -  6.4-7.6
    Violated in 20 structures by 1.08 A.
 
    Peak 185 from n15no.peaks (4.29, 7.65, 110.83 ppm; 4.65 A increased from 4.38 A):
    1 out of 2 assignments used, quality = 0.62:
      HA    ALA   61 + HE21  GLN   64  OK    62    63 100  99  3.9-4.6   2349/3.5=65, 2329/912=60, 2330/4.6=48, 6.0/916=33...(10)
      HB    THR   56 - HE21  GLN   64  far    0   100   0   -  5.1-6.3
    Violated in 2 structures by 0.00 A.
 
    Peak 186 from n15no.peaks (6.93, 8.12, 116.72 ppm; 4.57 A):
    1 out of 3 assignments used, quality = 0.95:
      QD    PHE   92 + H     LEU   62  OK    95    96 100 100  3.3-4.5   2.2/132=75, 147/888=61, 1852/3.0=59, 2395/887=54...(9)
      HE22  GLN   59 - H     LEU   62  far    0    90   0   -  6.5-7.5
      H     LEU   96 - H     LEU   62  far    0   100   0   -  9.4-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 187 from n15no.peaks (7.06, 8.12, 116.72 ppm; 4.66 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    PHE   92 + H     LEU   62  OK    99    99 100 100  2.8-4.4   132=97, 158/882=80, 2.2/186=76, 166/888=57...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 188 from n15no.peaks (8.13, 7.65, 110.83 ppm; 4.57 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLN   64 + HE21  GLN   64  OK   100   100 100 100  4.2-4.3   2339/912=77, 908/3.5=74, 2347/915=61, 909/4.6=61...(12)
      H     LEU   62 - HE21  GLN   64  far    0    97   0   -  6.4-6.7
      HE1   HIS   51 - HE21  GLN   64  far    0    65   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 189 from n15no.peaks (7.87, 6.72, 111.66 ppm; 2.40 A):
    1 out of 3 assignments used, quality = 0.99:
      HE21  GLN   71 + HE22  GLN   71  OK    99    99 100 100  1.7-1.7   1.7=100
      H     ALA   43 - HE22  GLN   71  far    0    96   0   -  6.9-9.1
      H     ALA   42 - HE22  GLN   71  far    0   100   0   -  9.1-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 190 from n15no.peaks (4.01, 6.72, 111.66 ppm; 4.90 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 191 from n15no.peaks (6.72, 7.86, 111.66 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 1.00:
      HE22  GLN   71 + HE21  GLN   71  OK   100   100 100 100  1.7-1.7   1.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 192 from n15no.peaks (4.02, 7.86, 111.66 ppm; 4.64 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    ALA   43 + HE21  GLN   71  far    0    57   0   -  5.7-7.2
      HD2   PRO   75 + HE21  GLN   71  far    0    87   0   -  8.6-9.8
    Violated in 20 structures by 1.76 A.
 
    Peak 193 from n15no.peaks (7.35, 8.31, 118.84 ppm; 3.42 A):
    1 out of 3 assignments used, quality = 1.00:
      H     TRP   72 + H     GLN   71  OK   100   100 100 100  2.5-2.7   225=99, 2341/275=44, 2622/271=28, 2626/272=22...(12)
      QE    PHE   47 - H     GLN   71  far    0    87   0   -  7.5-8.3
      HZ2   TRP   72 - H     GLN   71  far    0    93   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 194 from n15no.peaks (8.60, 7.96, 118.73 ppm; 3.63 A):
    1 out of 2 assignments used, quality = 0.94:
      H     CYS   69 + H     ARG   70  OK    94    96 100  98  2.3-2.9   198=84, 986/4.3=37, 984/4.3=35, 6.2/989=20...(12)
      H     LEU   65 - H     ARG   70  far    0    63   0   -  7.3-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 195 from n15no.peaks (7.38, 7.96, 118.73 ppm; 4.82 A increased from 4.29 A):
    1 out of 4 assignments used, quality = 0.90:
      H     GLU   67 + H     ARG   70  OK    90    99  95  95  4.4-5.0   3.0/196=78, 199/194=43, 217/7.5=26, 2527/8.5=18...(7)
      QE    PHE   47 - H     ARG   70  far    0    95   0   -  5.7-6.8
      HH2   TRP   72 - H     ARG   70  far    0    90   0   -  8.1-8.9
      HZ2   TRP   72 - H     ARG   70  far    0    89   0   -  9.2-9.7
    Violated in 2 structures by 0.01 A.
 
    Peak 196 from n15no.peaks (4.20, 7.96, 118.73 ppm; 4.14 A):
    1 out of 1 assignment used, quality = 0.92:
      HA    GLU   67 + H     ARG   70  OK    92    97 100  94  3.4-3.9   3.0/195=49, 220/222=47, 2593/2599=35, 2596/2603=29...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 197 from n15no.peaks (3.62, 7.96, 118.73 ppm; 3.67 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   70 + H     ARG   70  OK    99    99 100 100  2.7-2.8   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 198 from n15no.peaks (7.97, 8.59, 120.69 ppm; 3.72 A):
    1 out of 2 assignments used, quality = 0.94:
      H     ARG   70 + H     CYS   69  OK    94    95 100  99  2.3-2.9   194=90, 4.3/986=41, 4.3/984=39, 989/6.2=20...(12)
      H     LEU   73 - H     CYS   69  far    0    89   0   -  5.7-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 199 from n15no.peaks (7.38, 8.59, 120.69 ppm; 4.37 A increased from 3.89 A):
    2 out of 4 assignments used, quality = 0.98:
      H     GLU   67 + H     CYS   69  OK    97    99 100  98  3.8-4.2   963/959=65, 195/194=47, 951/6.2=34, 2527/4.9=33...(10)
      QE    PHE   47 + H     CYS   69  OK    44    95  48  99  3.9-4.8   2.2/96=75, 91=70, 311/986=58, 312/984=47...(6)
      HH2   TRP   72 - H     CYS   69  far    0    90   0   -  7.8-8.3
      HZ2   TRP   72 - H     CYS   69  far    0    89   0   -  9.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 200 from n15no.peaks (7.26, 8.59, 120.69 ppm; 4.29 A):
    1 out of 1 assignment used, quality = 0.90:
      QD    PHE   47 + H     CYS   69  OK    90    90 100 100  2.9-3.9   96=87, 2.2/91=60, 301/4.3=48, 2523/4.3=38...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 201 from n15no.peaks (8.13, 8.63, 120.45 ppm; 3.40 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLN   64 + H     LEU   65  OK    99   100 100 100  2.4-2.5   181=83, 909/931=45, 908/2352=34, 2347/2348=34...(17)
      H     LEU   62 - H     LEU   65  far    0    93   0   -  4.6-4.8
      H     LEU   93 - H     LEU   65  far    0   100   0   -  9.4-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 202 from n15no.peaks (7.74, 8.63, 120.45 ppm; 4.50 A):
    1 out of 2 assignments used, quality = 0.93:
      H     ALA   63 + H     LEU   65  OK    93    93 100 100  3.9-4.3   180/201=78, 3.6/203=65, 2.9/934=58, 2311/938=39...(12)
      H     HIS   51 - H     LEU   65  far    0    89   0   -  8.2-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 203 from n15no.peaks (3.80, 8.63, 120.45 ppm; 3.93 A):
    1 out of 3 assignments used, quality = 0.91:
      HA    LEU   62 + H     LEU   65  OK    91    92 100  99  3.1-3.5   2368/936=48, 3.6/202=44, 2293=37, 2369/937=36...(15)
      HA    ARG   66 - H     LEU   65  far    0   100   0   -  5.1-5.3
      HA    GLU  113 - H     LEU   65  far    0   100   0   -  9.2-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 205 from n15no.peaks (4.11, 8.63, 120.45 ppm; 3.96 A):
    1 out of 4 assignments used, quality = 0.99:
      HA    GLN   64 + H     LEU   65  OK    99    99 100 100  3.5-3.6   3.6=100
      HA    ALA   63 - H     LEU   65  far    0    97   0   -  4.1-4.7
      HA    TYR   52 - H     LEU   65  far    0    97   0   -  7.8-8.4
      HA    PHE   50 - H     LEU   65  far    0    60   0   -  7.9-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 206 from n15no.peaks (3.92, 8.63, 120.45 ppm; 3.74 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    LEU   65 + H     LEU   65  OK    99    99 100 100  2.8-2.9   3.0=100
      HA    LEU   89 - H     LEU   65  far    0    97   0   -  8.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 207 from n15no.peaks (4.30, 8.63, 120.45 ppm; 4.64 A):
    1 out of 1 assignment used, quality = 0.90:
      HA    ALA   61 + H     LEU   65  OK    90    90 100 100  3.9-4.5   3665=80, 2330/931=62, 2349/2352=60, 2329/2340=48...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 208 from n15no.peaks (8.13, 8.68, 119.18 ppm; 4.31 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLN   64 + H     ARG   66  OK    99   100 100  99  3.8-4.3   3.6/213=57, 181/4.5=55, 2407/947=31, 6.7/943=26...(17)
      H     LEU   62 - H     ARG   66  far    0    93   0   -  5.7-6.1
      H     LEU   93 - H     ARG   66  far    0   100   0   -  9.9-10.7
    Violated in 2 structures by 0.00 A.
 
    Peak 209 from n15no.peaks (7.39, 8.68, 119.18 ppm; 3.35 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   67 + H     ARG   66  OK   100   100 100 100  2.4-2.8   210=96, 952/941=46, 953/942=34, 954/943=20...(15)
      QE    PHE   47 - H     ARG   66  far    0    83   0   -  4.7-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 210 from n15no.peaks (8.67, 7.39, 119.79 ppm; 3.39 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG   66 + H     GLU   67  OK    99    99 100 100  2.4-2.8   209=99, 941/952=47, 942/953=34, 943/954=20...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 211 from n15no.peaks (3.80, 8.68, 119.18 ppm; 3.41 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    ARG   66 + H     ARG   66  OK   100   100 100 100  2.7-2.9   3.0=100
      HA    LEU   62 - H     ARG   66  far    2    92   3   -  3.5-3.9
      HA    GLU  113 - H     ARG   66  far    0   100   0   -  8.5-9.3
      HD3   PRO  112 - H     ARG   66  far    0    97   0   -  9.0-10.1
      HA    LYS   80 - H     ARG   66  far    0    99   0   -  9.3-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 212 from n15no.peaks (3.93, 8.68, 119.18 ppm; 4.09 A):
    1 out of 3 assignments used, quality = 0.93:
      HA    LEU   65 + H     ARG   66  OK    93    93 100 100  3.5-3.6   3.6=100
      HA    GLN   59 - H     ARG   66  far    0    73   0   -  8.1-8.8
      HA    LEU   89 - H     ARG   66  far    0   100   0   -  8.2-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 213 from n15no.peaks (4.10, 8.68, 119.18 ppm; 4.18 A increased from 3.72 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    ALA   63 + H     ARG   66  OK    99   100 100 100  3.6-4.0   2319=94, 3.6/208=52, 2421/2439=35, 2422/2441=33...(9)
      HA    GLN   64 - H     ARG   66  far    7    90   8   -  4.2-4.9
      HD2   PRO  112 - H     ARG   66  far    0    60   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 214 from n15no.peaks (4.11, 7.39, 119.79 ppm; 3.94 A increased from 3.70 A):
    1 out of 3 assignments used, quality = 0.88:
      HA    GLN   64 + H     GLU   67  OK    88    99 100  89  3.4-3.8   2454/950=43, 2453/2468=32, 2466/951=24, 6.7/209=20...(10)
      HA    ALA   63 - H     GLU   67  far    2    97   3   -  4.0-4.5
      HA    ARG   74 - H     GLU   67  far    0    83   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 215 from n15no.peaks (4.20, 7.39, 119.79 ppm; 3.42 A):
    1 out of 2 assignments used, quality = 0.89:
      HA    GLU   67 + H     GLU   67  OK    89    89 100 100  2.8-2.9   3.0=100
      HA    GLU   60 - H     GLU   67  far    0    63   0   -  8.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 217 from n15no.peaks (8.53, 7.39, 119.79 ppm; 3.47 A):
    1 out of 2 assignments used, quality = 0.83:
      H     LEU   68 + H     GLU   67  OK    83    85 100  98  2.3-2.5   963=80, 4.0/951=46, 2477/950=29, 5.2/2468=23...(13)
      H     LEU   89 - H     GLU   67  far    0    73   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 218 from n15no.peaks (3.13, 8.59, 120.69 ppm; 3.75 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    CYS   69 + H     CYS   69  OK    97    97 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 219 from n15no.peaks (3.99, 8.31, 118.84 ppm; 3.36 A):
    1 out of 3 assignments used, quality = 0.95:
      HA    GLN   71 + H     GLN   71  OK    95    95 100 100  2.8-2.9   3.0=100
      HD2   PRO   75 - H     GLN   71  far    0    99   0   -  5.4-6.3
      QA    GLY  127 - H     GLN  371  far    0    73   0   -  9.4-38.6
    Violated in 0 structures by 0.00 A.
 
    Peak 220 from n15no.peaks (4.20, 8.31, 118.84 ppm; 4.40 A):
    1 out of 2 assignments used, quality = 0.87:
      HA    GLU   67 + H     GLN   71  OK    87    89 100  98  4.0-4.4   2481=68, 196/222=57, 5.4/2516=37, 2591/273=30...(8)
      HA2   GLY   39 - H     GLN   71  far    0    90   0   -  9.7-11.5
    Violated in 4 structures by 0.01 A.
 
    Peak 221 from n15no.peaks (3.62, 8.31, 118.84 ppm; 4.13 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   70 + H     GLN   71  OK    99    99 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 222 from n15no.peaks (7.97, 8.31, 118.84 ppm; 3.46 A):
    1 out of 3 assignments used, quality = 0.92:
      H     ARG   70 + H     GLN   71  OK    92    95 100  97  2.6-2.9   3.3/276=50, 4.6=44, 196/220=28, 4.9/285=23...(16)
      H     LEU   73 - H     GLN   71  far    0    89   0   -  4.4-4.9
      H     GLU   41 - H     GLN   71  far    0    96   0   -  9.6-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 223 from n15no.peaks (7.37, 9.55, 117.56 ppm; 4.05 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ILE  100 + H     GLU   99  OK   100   100 100 100  2.4-2.5   224=100, 3453/1191=59, 243/4.1=52, 454/453=47...(17)
      H     ARG  103 - H     GLU   99  far    0    98   0   -  6.0-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 224 from n15no.peaks (9.55, 7.36, 117.18 ppm; 3.67 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU   99 + H     ILE  100  OK    99   100 100  99  2.4-2.5   223=74, 1191/3453=49, 4.1/243=43, 453/454=37...(17)
      H     GLU   99 - H     ARG  103  far    0    99   0   -  6.0-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 225 from n15no.peaks (8.31, 7.34, 117.18 ppm; 3.36 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLN   71 + H     TRP   72  OK    99    99 100  99  2.5-2.7   193=94, 275/2341=43, 271/2622=26, 2628/2626=21...(11)
      H     TYR   52 - H     ILE  100  far    0    73   0   -  9.1-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 226 from n15no.peaks (7.98, 7.34, 117.18 ppm; 3.03 A):
    2 out of 7 assignments used, quality = 0.99:
      H     LEU   73 + H     TRP   72  OK    90    93 100  96  2.2-2.6   315=66, 4.2/229=28, 750/228=26, 289/291=23...(18)
      H     VAL  104 + H     ARG  103  OK    86    88 100  98  2.5-2.7   486=70, 3.6/239=36, 3569/3568=28, 4.3/3566=24...(17)
      H     ARG   70 - H     TRP   72  far    0    90   0   -  3.9-4.1
      H     VAL  104 - H     ILE  100  far    0    83   0   -  5.9-6.3
      H     GLU   41 - H     TRP   72  far    0    92   0   -  7.7-8.6
      H     ARG  124 - H     ILE  100  far    0    60   0   -  8.1-11.6
      H     ARG  124 - H     ARG  103  far    0    65   0   -  8.9-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 227 from n15no.peaks (4.89, 7.34, 117.18 ppm; 3.85 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    TRP   72 + H     TRP   72  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 228 from n15no.peaks (2.77, 7.34, 117.18 ppm; 3.65 A increased from 3.43 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   TRP   72 + H     TRP   72  OK   100   100 100 100  2.2-3.5   2640=82, 1.8/229=81, 750/315=44, 2633/1652=36...(16)
      QB    TYR   52 - H     ILE  100  far    0    75   0   -  7.1-7.9
      HB2   ASP   37 - H     TRP   72  far    0    71   0   -  8.8-13.6
      QB    TYR   52 - H     ARG  103  far    0    80   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 229 from n15no.peaks (3.33, 7.34, 117.18 ppm; 3.36 A):
    1 out of 3 assignments used, quality = 0.98:
      HB2   TRP   72 + H     TRP   72  OK    98   100 100  98  2.2-2.4   1.8/228=63, 3.9=62, 4.2/315=34, 2635/1652=25...(16)
      QD    ARG  123 - H     ILE  100  far    0    90   0   -  7.1-8.6
      QD    ARG  123 - H     ARG  103  far    0    94   0   -  9.1-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 230 from n15no.peaks (8.07, 7.36, 117.12 ppm; 3.12 A):
    1 out of 5 assignments used, quality = 0.96:
      H     ALA  102 + H     ARG  103  OK    96    98 100  98  2.5-2.7   458=81, 2.9/242=52, 3.6/3522=27, 1211/3583=19...(15)
      H     ALA  102 - H     ILE  100  far    0    96   0   -  3.9-4.2
      H     GLY  106 - H     ARG  103  far    0    99   0   -  4.9-5.3
      H     LEU   84 - H     TRP   72  far    0    63   0   -  8.4-9.0
      H     GLY  106 - H     ILE  100  far    0    97   0   -  9.5-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 231 from n15no.peaks (8.51, 7.36, 117.18 ppm; 2.87 A):
    1 out of 6 assignments used, quality = 0.93:
      H     GLN  101 + H     ILE  100  OK    93    95 100  99  2.6-2.6   454=84, 1136/235=39, 1677/1674=23, 3493/237=20...(17)
      H     GLN  101 - H     ARG  103  far    0    92   0   -  4.0-4.3
      H     LEU   68 - H     TRP   72  far    0    90   0   -  6.5-6.9
      H     GLY  127 - H     ILE  100  far    0    83   0   -  9.0-20.1
      H     GLY  127 - H     TRP  372  far    0    69   0   -  9.8-54.3
      H     GLY  127 - H     ARG  103  far    0    79   0   -  9.9-21.3
    Violated in 0 structures by 0.00 A.
 
    Peak 232 from n15no.peaks (0.89, 7.36, 117.18 ppm; 3.68 A increased from 2.95 A):
    2 out of 16 assignments used, quality = 0.99:
      QG2   ILE  100 + H     ILE  100  OK    93    98  95 100  3.8-3.8   2.1/235=86, 1674=82, 1617/3.0=65, 3.2/237=59...(24)
      QQG   VAL  104 + H     ARG  103  OK    81    81 100 100  3.4-3.5   2.9/486=67, 3583=42, 1211/458=42, 3.6/495=41...(21)
      QD1   ILE  100 - H     ILE  100  far   10    97  10   -  3.6-4.0
      QG2   ILE  100 - H     ARG  103  far    0    96   0   -  4.1-4.3
      QD1   LEU  122 - H     ARG  103  far    0    75   0   -  4.1-4.7
      QD2   LEU  122 - H     ARG  103  far    0    73   0   -  4.4-5.2
      HB3   LEU   96 - H     ILE  100  far    0    60   0   -  4.5-4.6
      QD2   LEU  122 - H     ILE  100  far    0    76   0   -  4.6-5.2
      QD1   ILE  100 - H     ARG  103  far    0    94   0   -  5.1-5.4
      QQG   VAL  104 - H     ILE  100  far    0    85   0   -  5.1-5.5
      QD1   LEU  122 - H     ILE  100  far    0    78   0   -  5.3-6.0
      HB3   LEU   96 - H     ARG  103  far    0    57   0   -  6.2-6.7
      QD2   LEU  118 - H     ARG  103  far    0    70   0   -  8.4-8.7
      QG2   VAL   77 - H     TRP   72  far    0    89   0   -  9.4-10.8
      QG1   VAL   88 - H     TRP   72  far    0    77   0   -  9.7-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 233 from n15no.peaks (1.16, 7.36, 117.18 ppm; 3.49 A):
    1 out of 4 assignments used, quality = 1.00:
      HG13  ILE  100 + H     ILE  100  OK   100   100 100 100  2.1-2.5   1.8/237=76, 3490=70, 2.9/235=65, 2.1/3488=56...(20)
      HG13  ILE  100 - H     ARG  103  far    0    98   0   -  5.6-5.8
      HG3   LYS   80 - H     TRP   72  far    0    89   0   -  8.4-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 234 from n15no.peaks (0.56, 7.36, 117.18 ppm; 4.55 A):
    0 out of 3 assignments used, quality = 0.00:
      QD1   LEU   96 - H     ILE  100  far    0    92   0   -  4.7-5.4
      QD1   LEU   96 - H     ARG  103  far    0    89   0   -  5.0-5.9
    Violated in 1 structures by 0.00 A.
 
    Peak 235 from n15no.peaks (1.82, 7.36, 117.18 ppm; 2.88 A):
    1 out of 12 assignments used, quality = 0.99:
      HB    ILE  100 + H     ILE  100  OK    99   100 100  99  2.5-2.6   3495=49, 1136/454=40, 2.9/237=39, 2.9/233=37...(23)
      HG2   ARG  103 - H     ARG  103  far    0    87   0   -  3.8-4.6
      HB    ILE  100 - H     ARG  103  far    0    99   0   -  5.2-5.4
      HG    LEU   84 - H     TRP   72  far    0    90   0   -  5.7-8.3
      HG2   ARG  103 - H     ILE  100  far    0    90   0   -  5.8-6.7
      HB3   ARG   74 - H     TRP   72  far    0    71   0   -  6.2-6.7
      HG    LEU   87 - H     TRP   72  far    0    87   0   -  6.5-7.7
      HG2   ARG  123 - H     ILE  100  far    0   100   0   -  7.0-11.0
      HB3   ARG  124 - H     ILE  100  far    0    87   0   -  9.0-14.4
      HG2   ARG  123 - H     ARG  103  far    0    98   0   -  9.1-12.5
      HB3   ARG  124 - H     ARG  103  far    0    83   0   -  9.5-15.6
      HB3   GLU   41 - H     TRP   72  far    0    67   0   -  9.8-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 237 from n15no.peaks (1.58, 7.36, 117.18 ppm; 3.33 A increased from 3.14 A):
    1 out of 8 assignments used, quality = 1.00:
      HG12  ILE  100 + H     ILE  100  OK   100   100 100 100  3.1-3.3   3492=67, 1.8/233=66, 2.9/235=60, 2.1/3488=51...(22)
      QB    ALA   43 - H     TRP   72  far    9    51  18   -  3.1-4.0
      QG    ARG   74 - H     TRP   72  far    0    89   0   -  3.6-3.9
      HB3   LEU  122 - H     ARG  103  far    0    93   0   -  6.4-7.5
      HG12  ILE  100 - H     ARG  103  far    0    98   0   -  6.7-6.8
      HB3   LEU  122 - H     ILE  100  far    0    96   0   -  8.2-8.7
      QG    ARG   66 - H     TRP   72  far    0    85   0   -  8.3-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 238 from n15no.peaks (4.01, 7.36, 117.18 ppm; 3.08 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    ILE  100 + H     ILE  100  OK   100   100 100 100  2.9-2.9   3.0=100
      HA    ILE  100 - H     ARG  103  poor  20    98  23  89  3.1-3.4   3496=27, 3455/4.0=26, 737/486=22, 3548/3564=21...(11)
      HD2   PRO   75 - H     TRP   72  far    0    78   0   -  5.8-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 239 from n15no.peaks (4.17, 7.36, 117.12 ppm; 2.92 A):
    1 out of 7 assignments used, quality = 0.92:
      HA    ARG  103 + H     ARG  103  OK    92    92 100 100  2.8-2.9   3.0=97, 3.0/3568=36, 3.0/3566=35, 3.6/486=34...(12)
      HA    GLU   99 - H     ILE  100  far    0    87   0   -  3.5-3.5
      HA    GLU   99 - H     ARG  103  far    0    90   0   -  4.6-4.9
      HA    PRO   98 - H     ILE  100  far    0    97   0   -  4.6-4.7
      HA    PRO   98 - H     ARG  103  far    0    99   0   -  6.1-6.6
      HA    ARG  103 - H     ILE  100  far    0    89   0   -  7.1-7.5
      HA    LEU  118 - H     ARG  103  far    0    71   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 240 from n15no.peaks (3.24, 7.36, 117.12 ppm; 4.04 A increased from 3.41 A):
    1 out of 9 assignments used, quality = 0.98:
      HD3   PRO   97 + H     ILE  100  OK    98    99 100 100  3.7-3.9   2.3/3418=60, 3.0/246=58, 3378/235=56, 1.8/245=51...(15)
      QD    ARG  103 - H     ARG  103  far   12    99  13   -  4.1-4.5
      HD2   ARG   70 - H     TRP   72  far    0    90   0   -  4.6-5.4
      HA    LEU   73 - H     TRP   72  far    0    95   0   -  4.8-5.1
      QD    ARG  124 - H     ILE  100  far    0    85   0   -  6.8-14.4
      HD3   PRO   97 - H     ARG  103  far    0   100   0   -  7.1-7.4
      QD    ARG  103 - H     ILE  100  far    0    97   0   -  7.2-7.6
      QD    ARG  124 - H     ARG  103  far    0    89   0   -  7.4-15.7
      QD    ARG   46 - H     TRP   72  far    0    82   0   -  7.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 241 from n15no.peaks (1.95, 7.36, 117.12 ppm; 2.77 A):
    0 out of 15 assignments used, quality = 0.00:
      QB    ARG   70 + H     TRP   72  far    0    60   0   -  4.3-4.6
      HB3   GLN  101 + H     ARG  103  far    0   100   0   -  4.9-5.5
      HB    VAL  104 + H     ARG  103  far    0    95   0   -  5.1-5.3
      HB3   GLN  101 + H     ILE  100  far    0    99   0   -  5.7-6.0
      QB    ARG  123 + H     ILE  100  far    0    77   0   -  6.9-9.6
      HG    LEU  122 + H     ARG  103  far    0    87   0   -  7.0-7.7
      HB    VAL  104 + H     ILE  100  far    0    92   0   -  7.1-7.6
      HG    LEU  122 + H     ILE  100  far    0    83   0   -  7.2-8.0
      QB    ARG   46 + H     TRP   72  far    0    55   0   -  7.7-8.7
      HB3   GLU  125 + H     ILE  100  far    0    85   0   -  8.1-14.9
      QB    ARG  123 + H     ARG  103  far    0    81   0   -  8.5-11.0
      HB2   LEU   93 + H     ARG  103  far    0    78   0   -  8.8-11.0
      HG    LEU  118 + H     ARG  103  far    0    87   0   -  9.0-9.5
      HB2   LEU   93 + H     ILE  100  far    0    75   0   -  9.5-11.5
      HB3   GLU  125 + H     ARG  103  far    0    89   0   -  9.8-16.4
    Violated in 20 structures by 1.16 A.
 
    Peak 242 from n15no.peaks (1.44, 7.36, 117.12 ppm; 3.01 A):
    1 out of 6 assignments used, quality = 0.98:
      QB    ALA  102 + H     ARG  103  OK    98   100 100  98  2.6-2.9   1794=79, 2.9/230=46, 3558/3.0=35, 4.8/3522=18...(15)
      QB    ALA  102 - H     ILE  100  far    0    98   0   -  4.5-5.0
      QB    ALA   42 - H     TRP   72  far    0    95   0   -  7.2-8.5
      HB3   LEU  118 - H     ARG  103  far    0    76   0   -  7.4-8.0
      HB3   LEU  118 - H     ILE  100  far    0    73   0   -  9.6-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 243 from n15no.peaks (2.35, 7.36, 117.18 ppm; 3.58 A):
    1 out of 7 assignments used, quality = 0.92:
      QG    GLU   99 + H     ILE  100  OK    92    93 100  99  1.9-3.1   2.1/3453=62, 4.3=56, 4.1/224=40, 2230/237=39...(16)
      QG    GLU   99 - H     ARG  103  far    0    90   0   -  4.7-5.7
      HG2   GLN  101 - H     ILE  100  far    0    78   0   -  5.5-5.8
      HG2   GLN  101 - H     ARG  103  far    0    75   0   -  6.0-6.4
      HB2   LEU   87 - H     TRP   72  far    0    58   0   -  7.6-8.4
      HG2   GLU   67 - H     TRP   72  far    0    65   0   -  7.8-8.3
      HB    VAL   88 - H     TRP   72  far    0    49   0   -  9.7-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 244 from n15no.peaks (3.57, 7.36, 117.12 ppm; 4.52 A increased from 3.80 A):
    1 out of 3 assignments used, quality = 0.97:
      HA    GLN  101 + H     ARG  103  OK    97    97 100 100  4.1-4.4   3522=97, 3.6/230=78, 738/486=69, 4.8/242=59...(14)
      HA    GLN  101 - H     ILE  100  far    0    94   0   -  5.2-5.2
      HD3   PRO  109 - H     ARG  103  far    0    65   0   -  8.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 245 from n15no.peaks (3.82, 7.36, 117.12 ppm; 5.02 A increased from 4.01 A):
    1 out of 12 assignments used, quality = 0.97:
      HD2   PRO   97 + H     ILE  100  OK    97    97 100 100  4.8-4.9   1.8/240=97, 2.3/3418=85, 3.0/246=81, 3375/237=71...(13)
      HA    VAL  104 - H     ARG  103  far    0    65   0   -  5.2-5.3
      HD3   PRO   98 - H     ILE  100  far    0    94   0   -  5.5-5.6
      QA    GLY  128 - H     ILE  100  far    0    90   0   -  5.7-21.3
      HA    ARG   66 - H     TRP   72  far    0    65   0   -  7.3-7.9
      HD2   PRO   40 - H     TRP   72  far    0    72   0   -  7.3-9.5
      QA    GLY  128 - H     ARG  103  far    0    93   0   -  7.4-21.7
      HA    VAL  104 - H     ILE  100  far    0    62   0   -  8.5-8.9
      HD2   PRO   97 - H     ARG  103  far    0    99   0   -  8.7-9.0
      HD3   PRO   98 - H     ARG  103  far    0    97   0   -  9.0-9.4
      HD2   PRO  126 - H     ILE  100  far    0    99   0   -  9.2-17.0
      HA    GLU   54 - H     ILE  100  far    0    97   0   -  9.4-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 246 from n15no.peaks (2.60, 7.36, 117.12 ppm; 4.15 A):
    1 out of 4 assignments used, quality = 0.77:
      HB2   PRO   97 + H     ILE  100  OK    77    77 100 100  3.0-3.1   3.0/240=63, 2.3/3418=63, 3.0/245=46, 3416=45...(15)
      HB2   CYS   69 - H     TRP   72  far    0    95   0   -  4.7-5.6
      HB2   PRO   97 - H     ARG  103  far    0    81   0   -  7.4-7.8
      HD3   ARG   44 - H     TRP   72  far    0    94   0   -  7.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 247 from n15no.peaks (3.11, 7.34, 117.18 ppm; 4.06 A):
    1 out of 2 assignments used, quality = 0.97:
      HA    CYS   69 + H     TRP   72  OK    97   100 100  97  3.3-3.6   2538=78, 2553/228=39, 2638/229=35, 123/6.0=26...(9)
      HD2   ARG   66 - H     TRP   72  far    0    76   0   -  8.6-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 248 from n15no.peaks (7.37, 10.32, 129.30 ppm; 4.07 A):
    1 out of 4 assignments used, quality = 1.00:
      HZ2   TRP   72 + HE1   TRP   72  OK   100   100 100 100  2.8-2.8   2.8=100
      HH2   TRP   72 - HE1   TRP   72  far    0    63   0   -  5.0-5.0
      H     TRP   72 - HE1   TRP   72  far    0    73   0   -  6.6-6.8
      QE    PHE   47 - HE1   TRP   72  far    0   100   0   -  7.5-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 249 from n15no.peaks (7.18, 10.32, 129.30 ppm; 3.70 A):
    1 out of 2 assignments used, quality = 1.00:
      HD1   TRP   72 + HE1   TRP   72  OK   100   100 100 100  2.6-2.6   2.6=100
      HZ    PHE   47 - HE1   TRP   72  far    0   100   0   -  9.5-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 250 from n15no.peaks (4.51, 10.32, 129.30 ppm; 5.31 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    LEU   87 + HE1   TRP   72  far    0    85   0   -  9.1-10.1
      HA    PRO   38 + HE1   TRP   72  far    0    99   0   -  9.6-13.9
    Violated in 20 structures by 4.15 A.
 
    Peak 251 from n15no.peaks (2.75, 10.32, 129.30 ppm; 4.71 A):
    1 out of 3 assignments used, quality = 0.91:
      QB    PRO   40 + HE1   TRP   72  OK    91    95 100  97  3.6-4.4   1567/2.6=68, ~51=51, ~221=50, ~222=45...(7)
      HB3   TRP   72 - HE1   TRP   72  far    0    93   0   -  4.9-5.0
      HA    ARG   44 - HE1   TRP   72  far    0    90   0   -  5.2-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 252 from n15no.peaks (2.30, 10.32, 129.30 ppm; 4.79 A):
    0 out of 5 assignments used, quality = 0.00:
      QG    GLU  125 + HE1   TRP  372  far    2    99   3   -  3.2-37.1
      HG2   GLU   41 + HE1   TRP   72  far    0    85   0   -  6.6-8.9
      HB2   LEU   87 + HE1   TRP   72  far    0    57   0   -  8.0-8.7
      HB2   PRO  126 + HE1   TRP  372  far    0    92   0   -  8.6-55.0
      HG3   GLU   76 + HE1   TRP   72  far    0    95   0   -  9.8-14.0
    Violated in 20 structures by 2.47 A.
 
    Peak 253 from n15no.peaks (2.59, 10.32, 129.30 ppm; 4.75 A):
    1 out of 3 assignments used, quality = 0.78:
      HD3   ARG   44 + HE1   TRP   72  OK    78    78 100 100  2.5-4.6   3.9/261=56, 3.0/263=54, 186/2.8=54, 1836=51...(10)
      HB2   CYS   69 - HE1   TRP   72  far    0    92   0   -  6.7-9.6
      HG2   MET   83 - HE1   TRP   72  far    0    98   0   -  9.6-10.5
    Violated in 1 structures by 0.00 A.
 
    Peak 255 from n15no.peaks (1.34, 10.32, 129.30 ppm; 5.01 A):
    0 out of 2 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HE1   TRP   72  far    8    83  10   -  3.4-6.5
      HB3   LEU   86 + HE1   TRP   72  far    0    99   0   -  9.0-9.7
    Violated in 18 structures by 1.12 A.
 
    Peak 256 from n15no.peaks (1.52, 10.32, 129.30 ppm; 5.50 A increased from 5.17 A):
    1 out of 3 assignments used, quality = 0.89:
      HB2   ARG   44 + HE1   TRP   72  OK    89    89 100 100  4.4-5.4   1.8/261=95, ~226=74, 2.9/263=72, 3.9/253=72...(9)
     ?HB3   LEU   73 - HE1   TRP   72  far    6    60  10   -  3.4-6.5
      QB    ALA  117 - HE1   TRP  372  far    0   100   0   -  9.0-32.2
    Violated in 0 structures by 0.00 A.
 
    Peak 258 from n15no.peaks (1.61, 10.32, 129.30 ppm; 5.50 A increased from 5.13 A):
    0 out of 5 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HE1   TRP   72  far    5    46  10   -  3.4-6.5
      QB    ALA   43 + HE1   TRP   72  far    0    99   0   -  5.8-6.9
      QG    ARG   74 + HE1   TRP   72  far    0    60   0   -  6.1-7.4
      QG    ARG   48 + HE1   TRP   72  far    0   100   0   -  7.2-10.3
      HG    LEU   45 + HE1   TRP   72  far    0   100   0   -  8.1-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 259 from n15no.peaks (0.89, 10.32, 129.30 ppm; 4.48 A):
    0 out of 2 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HE1   TRP   72  far   10   100  10   -  3.4-6.5
      QG2   VAL   77 + HE1   TRP   72  far    0    99   0   -  8.6-10.0
    Violated in 18 structures by 1.57 A.
 
    Peak 260 from n15no.peaks (0.68, 10.32, 129.30 ppm; 4.54 A):
    0 out of 2 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HE1   TRP   72  far    9    91  10   -  3.4-6.5
      QD1   LEU   86 + HE1   TRP   72  far    0    92   0   -  7.8-8.7
    Violated in 18 structures by 1.47 A.
 
    Peak 261 from n15no.peaks (0.29, 10.32, 129.30 ppm; 4.77 A):
    1 out of 3 assignments used, quality = 0.99:
      HB3   ARG   44 + HE1   TRP   72  OK    99   100 100 100  3.4-4.6   226/2.6=75, 1.8/256=62, 3.9/253=56, 2.9/263=56...(10)
      QD1   LEU   73 - HE1   TRP   72  far    5    98   5   -  4.7-5.6
     ?HB3   LEU   73 - HE1   TRP   72  far    4    41  10   -  3.4-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 262 from n15no.peaks (-0.64, 10.32, 129.30 ppm; 5.03 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + HE1   TRP   72  OK   100   100 100 100  4.3-4.5   1791=95, 198/2.8=86, 207/5.0=57, 211/5.3=46...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 263 from n15no.peaks (-0.75, 10.32, 129.30 ppm; 5.40 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   ARG   44 + HE1   TRP   72  OK   100   100 100 100  3.1-5.2   199/2.8=88, 2.9/261=81, 3.0/253=80, 2.9/256=69...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 264 from n15no.peaks (1.79, 10.32, 129.30 ppm; 4.94 A):
    0 out of 8 assignments used, quality = 0.00:
      HG    LEU   87 + HE1   TRP   72  far    0    85   0   -  5.8-6.4
      HB3   GLU   41 + HE1   TRP   72  far    0    99   0   -  6.0-7.7
      QE    MET   83 + HE1   TRP   72  far    0    90   0   -  6.7-7.2
      QB    ARG   48 + HE1   TRP   72  far    0    99   0   -  8.3-9.7
      HB3   ARG   74 + HE1   TRP   72  far    0    99   0   -  8.8-9.3
      HB3   ARG  124 + HE1   TRP  372  far    0    98   0   -  9.3-55.1
      HB2   LEU   86 + HE1   TRP   72  far    0    71   0   -  9.6-10.7
      HG    LEU   84 + HE1   TRP   72  far    0    60   0   - 10.0-11.9
    Violated in 20 structures by 0.53 A.
 
    Peak 265 from n15no.peaks (2.71, 6.72, 111.66 ppm; 3.87 A):
    1 out of 4 assignments used, quality = 0.99:
      HG2   GLN   71 + HE22  GLN   71  OK    99    99 100 100  3.4-3.6   3.5=100
      HA    ARG   44 - HE22  GLN   71  far    0    83   0   -  7.9-9.9
      QB    PRO   40 - HE22  GLN   71  far    0    76   0   -  8.0-10.1
      HG2   GLN   64 - HE22  GLN   71  far    0    95   0   -  9.5-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 266 from n15no.peaks (2.71, 7.86, 111.66 ppm; 3.65 A):
    1 out of 4 assignments used, quality = 0.99:
      HG2   GLN   71 + HE21  GLN   71  OK    99    99 100 100  2.1-2.5   3.5=100
      HA    ARG   44 - HE21  GLN   71  far    0    83   0   -  7.3-9.3
      QB    PRO   40 - HE21  GLN   71  far    0    76   0   -  7.9-9.8
      HG2   GLN   64 - HE21  GLN   71  far    0    95   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 267 from n15no.peaks (2.42, 6.72, 111.66 ppm; 4.18 A increased from 3.93 A):
    1 out of 1 assignment used, quality = 0.71:
      HG3   GLN   71 + HE22  GLN   71  OK    71    71 100 100  3.5-4.1   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 268 from n15no.peaks (2.25, 6.72, 111.66 ppm; 4.00 A):
    1 out of 3 assignments used, quality = 0.99:
      HG3   GLU   67 + HE22  GLN   71  OK    99   100 100  99  2.7-4.1   270/1.7=81, 2467=62, ~2473=52, 1.8/2471=43...(7)
      HB2   PRO   38 - HE22  GLN   71  far    0    96   0   -  8.3-12.5
      HB2   GLN   64 - HE22  GLN   71  far    0    63   0   -  8.7-9.9
    Violated in 2 structures by 0.00 A.
 
    Peak 269 from n15no.peaks (2.43, 7.86, 111.66 ppm; 3.70 A):
    1 out of 1 assignment used, quality = 0.85:
      HG3   GLN   71 + HE21  GLN   71  OK    85    85 100 100  2.2-3.5   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 270 from n15no.peaks (2.25, 7.86, 111.66 ppm; 3.80 A):
    1 out of 3 assignments used, quality = 0.99:
      HG3   GLU   67 + HE21  GLN   71  OK    99   100 100  99  2.2-3.1   2469=70, 268/1.7=69, 1.8/2473=67, 2452/3.5=37...(7)
      HB2   GLN   64 - HE21  GLN   71  far    0    63   0   -  8.4-9.1
      HB2   PRO   38 - HE21  GLN   71  far    0    96   0   -  9.4-13.4
    Violated in 0 structures by 0.00 A.
 
    Peak 271 from n15no.peaks (2.71, 8.31, 118.84 ppm; 3.38 A):
    1 out of 3 assignments used, quality = 0.99:
      HG2   GLN   71 + H     GLN   71  OK    99    99 100 100  1.8-3.0   2624=78, 2.5/275=66, 1.8/272=59, 1355/3.0=46...(13)
      QB    PRO   40 - H     GLN   71  far    0    76   0   -  6.4-7.6
      HA    ARG   44 - H     GLN   71  far    0    83   0   -  6.6-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 272 from n15no.peaks (2.44, 8.31, 118.84 ppm; 3.83 A increased from 3.60 A):
    1 out of 1 assignment used, quality = 0.94:
      HG3   GLN   71 + H     GLN   71  OK    94    95 100 100  2.4-3.8   1.8/271=85, 2.5/275=79, 2628=79, ~1355=37...(10)
    Violated in 3 structures by 0.00 A.
 
    Peak 273 from n15no.peaks (3.15, 8.31, 118.84 ppm; 4.48 A):
    1 out of 2 assignments used, quality = 0.94:
      HD3   ARG   70 + H     GLN   71  OK    94    97  98 100  3.2-4.2   3.3/276=78, 1.8/274=78, 3.0/285=62, ~2592=43...(10)
      HD3   PRO   75 - H     GLN   71  far    0    71   0   -  5.3-6.1
    Violated in 1 structures by 0.03 A.
 
    Peak 274 from n15no.peaks (3.25, 8.31, 118.84 ppm; 4.49 A):
    1 out of 4 assignments used, quality = 0.79:
      HD2   ARG   70 + H     GLN   71  OK    79    81  98 100  2.3-3.6   3.3/276=78, 1.8/273=78, 3.0/285=62, 2592/3.0=50...(11)
      HB2   PHE   47 - H     GLN   71  far    0    73   0   -  5.7-7.1
      HA    LEU   73 - H     GLN   71  far    0    93   0   -  7.1-7.4
      QD    ARG   46 - H     GLN   71  far    0   100   0   -  7.6-10.9
    Violated in 1 structures by 0.02 A.
 
    Peak 275 from n15no.peaks (2.13, 8.31, 118.84 ppm; 3.08 A):
    1 out of 4 assignments used, quality = 0.96:
      QB    GLN   71 + H     GLN   71  OK    96    97 100  99  2.2-2.7   3.3=83, 2.5/271=50, 2.5/272=41, 2341/225=33...(14)
      QB    GLU   67 - H     GLN   71  far    0    98   0   -  5.1-5.6
      HG3   PRO   40 - H     GLN   71  far    0    83   0   -  9.1-10.6
      HB3   GLN   64 - H     GLN   71  far    0    97   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 276 from n15no.peaks (2.00, 8.31, 118.84 ppm; 3.35 A):
    1 out of 3 assignments used, quality = 0.70:
      QB    ARG   70 + H     GLN   71  OK    70    71 100  98  2.4-2.9   4.0=57, 3.3/222=45, 2.5/285=36, 3.3/273=33...(15)
      QG    PRO   75 - H     GLN   71  far    0    89   0   -  6.1-6.9
      QB    GLU   76 - H     GLN   71  far    0    95   0   -  9.2-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 277 from n15no.peaks (0.75, 8.31, 118.84 ppm; 5.24 A increased from 4.66 A):
    1 out of 5 assignments used, quality = 0.93:
      QD1   LEU   84 + H     GLN   71  OK    93    93 100 100  4.5-5.2   2996/3.6=84, 2573/4.0=73, 990/222=68, 2574/285=62...(11)
      QD1   LEU   87 - H     GLN   71  far    0    93   0   -  6.5-7.7
      QD1   LEU   65 - H     GLN   71  far    0   100   0   -  9.4-10.0
      QD2   LEU   45 - H     GLN   71  far    0    73   0   -  9.8-12.4
    Violated in 1 structures by 0.00 A.
 
    Peak 278 from n15no.peaks (0.97, 8.31, 118.84 ppm; 5.50 A increased from 4.54 A):
    2 out of 3 assignments used, quality = 1.00:
      QD2   LEU   68 + H     GLN   71  OK   100   100 100 100  4.5-5.5   809/2516=87, 2507/271=70, 6.4/220=47, 281/6.9=39...(7)
     ?HB3   LEU   73 + H     GLN   71  OK    37   100  38 100  5.4-7.5   1904/3.6=87, 753/7.4=62, 991/222=48, 1933/277=42...(8)
      QD2   LEU   87 - H     GLN   71  far    0    60   0   -  8.4-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 279 from n15no.peaks (2.13, 7.86, 111.66 ppm; 3.98 A):
    2 out of 3 assignments used, quality = 0.98:
      QB    GLN   71 + HE21  GLN   71  OK    97    97 100 100  2.3-3.4   3.9=100
      QB    GLU   67 + HE21  GLN   71  OK    39    98  40  98  3.7-4.8   2.5/270=69, 2.5/2473=64, ~268=44, ~2467=37...(7)
      HB3   GLN   64 - HE21  GLN   71  far    0    97   0   -  7.4-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 280 from n15no.peaks (2.13, 6.72, 111.66 ppm; 4.11 A):
    1 out of 3 assignments used, quality = 0.97:
      QB    GLN   71 + HE22  GLN   71  OK    97    97 100 100  3.4-3.9   3.9=100
      QB    GLU   67 - HE22  GLN   71  far    0    98   0   -  4.7-5.9
      HB3   GLN   64 - HE22  GLN   71  far    0    97   0   -  7.6-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 281 from n15no.peaks (0.97, 6.72, 111.66 ppm; 4.69 A):
    1 out of 2 assignments used, quality = 0.96:
      QD2   LEU   68 + HE22  GLN   71  OK    96   100 100  97  2.2-3.6   282/1.7=71, 2507/3.5=52, 2451/268=49, 2457/2471=39
      HG    LEU   65 - HE22  GLN   71  far    0    99   0   -  9.8-12.5
    Violated in 0 structures by 0.00 A.
 
    Peak 282 from n15no.peaks (0.97, 7.86, 111.66 ppm; 5.03 A):
    1 out of 3 assignments used, quality = 0.99:
      QD2   LEU   68 + HE21  GLN   71  OK    99   100 100  99  2.4-3.5   281/1.7=88, 2507/3.5=60, 2451/270=59, 2457/2473=57...(6)
      HG    LEU   65 - HE21  GLN   71  far    0    99   0   -  9.3-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 283 from n15no.peaks (0.30, 7.34, 117.18 ppm; 5.13 A):
    2 out of 3 assignments used, quality = 0.88:
      QD1   LEU   73 + H     TRP   72  OK    85    85 100 100  3.3-4.1   1928/315=71, 3.1/234=60, 5.5/291=49, 7.0/229=37...(13)
     ?HB3   LEU   73 + H     TRP   72  OK    21    42  95  51  4.0-5.2   237/6.3=15, 1777/7.3=13, 1002/291=12, 1915/7.5=10...(6)
      HB3   ARG   44 - H     TRP   72  far    0   100   0   -  5.5-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 284 from n15no.peaks (-0.08, 7.36, 117.12 ppm; 4.86 A):
    1 out of 2 assignments used, quality = 0.83:
      QD2   LEU   96 + H     ILE  100  OK    83    98  85 100  4.6-6.0   3465/4.0=77, 3472/3488=75, 3464/235=70, 3327/240=66...(15)
      QD2   LEU   96 - H     ARG  103  far    0   100   0   -  6.6-7.6
    Violated in 3 structures by 0.17 A.
 
    Peak 285 from n15no.peaks (1.76, 8.31, 118.84 ppm; 4.54 A increased from 4.03 A):
    1 out of 5 assignments used, quality = 0.95:
      HG2   ARG   70 + H     GLN   71  OK    95    95 100 100  3.2-4.4   2.5/276=90, 5.0=74, 1195/3.6=66, 3.0/273=65...(13)
      QE    MET   83 - H     GLN   71  far    0    90   0   -  6.4-7.5
      QB    LEU   84 - H     GLN   71  far    0   100   0   -  6.6-7.5
      QD    LYS   80 - H     GLN   71  far    0    90   0   -  7.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 286 from n15no.peaks (1.57, 8.31, 118.84 ppm; 4.17 A):
    0 out of 4 assignments used, quality = 0.00:
      QG    ARG   74 + H     GLN   71  far    2    93   3   -  4.2-5.3
      QG    ARG   66 + H     GLN   71  far    0    85   0   -  6.6-7.3
      QB    ALA   63 + H     GLN   71  far    0    76   0   -  9.6-10.0
    Violated in 20 structures by 0.52 A.
 
    Peak 287 from n15no.peaks (4.73, 7.94, 115.44 ppm; 3.43 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 288 from n15no.peaks (3.78, 7.94, 115.44 ppm; 4.12 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 289 from n15no.peaks (8.35, 7.99, 115.01 ppm; 3.55 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   74 + H     LEU   73  OK   100   100 100 100  2.5-2.8   290=100, 997/3.8=46, 2610/319=33, 291/315=30...(15)
      H     ARG   48 - H     LEU   73  far    0    76   0   -  9.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 290 from n15no.peaks (7.99, 8.35, 112.81 ppm; 3.52 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU   73 + H     ARG   74  OK   100   100 100 100  2.5-2.8   289=98, 3.8/997=45, 319/2610=32, 315/291=29...(15)
      H     ARG   70 - H     ARG   74  far    0    60   0   -  5.0-5.5
      H     GLU   41 - H     ARG   74  far    0    63   0   -  8.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 291 from n15no.peaks (7.35, 8.35, 112.81 ppm; 4.43 A):
    1 out of 3 assignments used, quality = 0.99:
      H     TRP   72 + H     ARG   74  OK    99   100 100  99  3.1-3.4   315/290=58, 2671/3.0=47, 229/2647=46, 234/4.6=42...(15)
      HZ2   TRP   72 - H     ARG   74  far    0    93   0   -  7.8-8.1
      QE    PHE   47 - H     ARG   74  far    0    87   0   -  8.9-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 292 from n15no.peaks (9.83, 8.35, 112.81 ppm; 5.50 A increased from 4.81 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLU   76 + H     ARG   74  far   17   100  18   -  5.6-5.7
    Violated in 20 structures by 0.14 A.
 
    Peak 293 from n15no.peaks (8.02, 7.78, 114.15 ppm; 3.05 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   78 + H     VAL   77  OK   100   100 100 100  1.9-2.1   295=100, 1027/1737=41, 296/294=32, 2759/1016=29...(13)
      H     LEU   84 - H     VAL   77  far    0    68   0   -  8.9-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 294 from n15no.peaks (9.83, 7.78, 114.15 ppm; 3.23 A):
    1 out of 1 assignment used, quality = 0.98:
      H     GLU   76 + H     VAL   77  OK    98   100 100  98  2.3-2.4   307=77, 296/295=39, 3.4/1017=39, 1741/1737=30...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 295 from n15no.peaks (7.78, 8.03, 122.12 ppm; 2.90 A):
    1 out of 1 assignment used, quality = 0.99:
      H     VAL   77 + H     ARG   78  OK    99   100 100  99  1.9-2.1   293=86, 1737/1027=38, 294/296=28, 1016/2759=26...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 296 from n15no.peaks (9.83, 8.03, 122.12 ppm; 4.00 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   76 + H     ARG   78  OK   100   100 100 100  3.5-3.8   306=83, 294/295=74, 1741/1027=47, 3.0/300=45...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 297 from n15no.peaks (8.53, 8.03, 122.12 ppm; 4.70 A):
    1 out of 1 assignment used, quality = 0.98:
      H     SER   79 + H     ARG   78  OK    98    98 100 100  4.4-4.5   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 298 from n15no.peaks (4.62, 8.03, 122.12 ppm; 3.94 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    ARG   78 + H     ARG   78  OK    97    97 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 299 from n15no.peaks (4.39, 8.03, 122.12 ppm; 3.63 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 300 from n15no.peaks (4.18, 8.03, 122.12 ppm; 4.86 A increased from 4.58 A):
    1 out of 1 assignment used, quality = 0.94:
      HA    GLU   76 + H     ARG   78  OK    94    95 100 100  4.6-4.8   3.6/295=88, 3.0/296=81, 3.9/1023=52, 5.8/1027=49...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 301 from n15no.peaks (3.99, 8.03, 122.12 ppm; 4.92 A):
    0 out of 3 assignments used, quality = 0.00:
      HB3   SER   79 + H     ARG   78  far    0   100   0   -  6.4-7.2
      HD2   PRO   75 + H     ARG   78  far    0   100   0   -  6.8-7.0
      QA    GLY  127 + H     ARG  378  far    0    65   0   -  8.1-39.3
    Violated in 20 structures by 1.15 A.
 
    Peak 302 from n15no.peaks (4.41, 7.78, 114.15 ppm; 3.39 A):
    1 out of 1 assignment used, quality = 0.95:
      HA    VAL   77 + H     VAL   77  OK    95    95 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 303 from n15no.peaks (4.19, 7.78, 114.15 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    GLU   76 + H     VAL   77  OK    99    99 100 100  3.4-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 304 from n15no.peaks (3.99, 7.78, 114.15 ppm; 5.12 A):
    0 out of 3 assignments used, quality = 0.00:
      HD2   PRO   75 + H     VAL   77  far    0   100   0   -  6.3-6.7
      QA    GLY  127 + H     VAL  377  far    0    65   0   -  7.2-37.8
      HB3   SER   79 + H     VAL   77  far    0   100   0   -  8.2-9.0
    Violated in 20 structures by 1.21 A.
 
    Peak 305 from n15no.peaks (8.35, 9.83, 119.07 ppm; 5.50 A increased from 5.24 A):
    0 out of 1 assignment used, quality = 0.00:
      H     ARG   74 + H     GLU   76  far   17   100  18   -  5.6-5.7
    Violated in 20 structures by 0.14 A.
 
    Peak 306 from n15no.peaks (8.03, 9.83, 119.07 ppm; 4.26 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   78 + H     GLU   76  OK   100   100 100 100  3.5-3.8   296=100, 295/294=81, 1027/1741=53, 300/3.0=52...(11)
      H     LEU   84 - H     GLU   76  far    0    87   0   -  8.3-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 307 from n15no.peaks (7.78, 9.83, 119.07 ppm; 3.52 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL   77 + H     GLU   76  OK   100   100 100 100  2.3-2.4   294=100, 295/296=47, 1017/3.4=46, 1737/1741=38...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 308 from n15no.peaks (4.33, 9.83, 119.07 ppm; 4.06 A):
    1 out of 1 assignment used, quality = 0.92:
      HA    PRO   75 + H     GLU   76  OK    92    92 100 100  2.5-2.7   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 309 from n15no.peaks (4.20, 9.83, 119.07 ppm; 3.69 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLU   76 + H     GLU   76  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 310 from n15no.peaks (4.00, 9.83, 119.07 ppm; 4.67 A increased from 4.40 A):
    1 out of 3 assignments used, quality = 0.99:
      HD2   PRO   75 + H     GLU   76  OK    99   100 100  99  4.4-4.6   2.2/2719=72, 1.8/311=71, 5.6=58, 4.5/1012=35...(9)
      HA    GLN   71 - H     GLU   76  far    0    73   0   -  8.3-9.2
      HB3   SER   79 - H     GLU   76  far    0    99   0   -  8.9-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 311 from n15no.peaks (3.20, 9.83, 119.07 ppm; 4.99 A increased from 4.44 A):
    1 out of 2 assignments used, quality = 0.83:
      HD3   PRO   75 + H     GLU   76  OK    83    83 100 100  4.8-5.0   1.8/310=87, 2.2/2719=80, 5.6=71, 4.5/1012=39...(10)
      QD    ARG   74 - H     GLU   76  far    0   100   0   -  5.4-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 312 from n15no.peaks (4.30, 8.35, 112.81 ppm; 3.35 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 313 from n15no.peaks (3.99, 8.35, 112.81 ppm; 3.74 A increased from 3.52 A):
    1 out of 3 assignments used, quality = 0.94:
      HD2   PRO   75 + H     ARG   74  OK    94   100  95 100  3.4-3.7   1.8/994=80, 2706=75, 2684/4.0=40, 2687/314=40...(14)
      HA    GLN   71 - H     ARG   74  far    0    90   0   -  4.1-4.7
      QA    GLY  127 - H     ARG  374  far    0    65   0   -  5.9-37.6
    Violated in 0 structures by 0.00 A.
 
    Peak 314 from n15no.peaks (3.62, 8.35, 112.81 ppm; 3.84 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ARG   70 + H     ARG   74  OK   100   100 100 100  2.7-3.2   2610=97, 2687/313=44, 319/290=41, 1188/2704=41...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 315 from n15no.peaks (7.33, 7.99, 115.01 ppm; 3.36 A):
    1 out of 1 assignment used, quality = 0.93:
      H     TRP   72 + H     LEU   73  OK    93    97 100  97  2.2-2.6   226=46, 228/750=34, 229/4.2=34, 291/290=25...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 316 from n15no.peaks (7.15, 7.99, 115.01 ppm; 4.51 A increased from 4.24 A):
    1 out of 1 assignment used, quality = 0.60:
      HD1   TRP   72 + H     LEU   73  OK    60    63 100  96  3.7-4.3   3.8/750=61, 50/3.6=49, 5.9=44, 5.9/315=39...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 317 from n15no.peaks (4.89, 7.99, 115.01 ppm; 4.50 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    TRP   72 + H     LEU   73  OK   100   100 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 318 from n15no.peaks (4.30, 7.99, 115.01 ppm; 4.72 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 319 from n15no.peaks (3.61, 7.99, 115.01 ppm; 4.43 A):
    1 out of 1 assignment used, quality = 0.94:
      HA    ARG   70 + H     LEU   73  OK    94    98 100  96  3.4-3.9   2610/290=64, 1188/2703=38, 1904/753=32, 6.8/315=28...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 320 from n15no.peaks (8.23, 8.54, 115.25 ppm; 4.70 A increased from 4.42 A):
    1 out of 1 assignment used, quality = 0.97:
      H     MET   83 + H     SER   79  OK    97    97 100 100  4.0-4.6   349=96, 347/322=60, 4.5/1031=58, 1077/4.6=44...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 321 from n15no.peaks (8.01, 8.54, 115.25 ppm; 4.55 A increased from 4.28 A):
    1 out of 1 assignment used, quality = 0.83:
      H     ARG   78 + H     SER   79  OK    83    83 100 100  4.4-4.5   4.6=98, 3.0/328=87, 4.0/1035=65, 4.0/1036=41...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 322 from n15no.peaks (7.86, 8.54, 115.25 ppm; 4.75 A increased from 4.00 A):
    1 out of 2 assignments used, quality = 0.96:
      H     GLN   82 + H     SER   79  OK    96    97 100 100  4.4-4.8   340=90, 347/349=63, 1056/1031=62, 342/2.9=37...(8)
      H     GLU   85 - H     SER   79  far    0    96   0   -  8.3-8.7
    Violated in 1 structures by 0.00 A.
 
    Peak 323 from n15no.peaks (9.08, 8.54, 115.25 ppm; 4.92 A):
    1 out of 1 assignment used, quality = 0.97:
      H     LYS   80 + H     SER   79  OK    97    97 100 100  4.6-4.6   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 324 from n15no.peaks (7.59, 8.54, 115.25 ppm; 5.24 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 325 from n15no.peaks (6.89, 8.54, 115.25 ppm; 5.04 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 326 from n15no.peaks (3.99, 8.54, 115.25 ppm; 3.49 A):
    1 out of 2 assignments used, quality = 0.92:
      HB3   SER   79 + H     SER   79  OK    92    97 100  94  2.1-3.4   4.0=67, 1.8/327=32, 332/4.6=26, 6.1/328=18...(13)
      HD2   PRO   75 - H     SER   79  far    0    95   0   -  8.5-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 327 from n15no.peaks (4.44, 8.54, 115.25 ppm; 3.43 A):
    2 out of 3 assignments used, quality = 1.00:
      HA    SER   79 + H     SER   79  OK   100   100 100 100  2.8-2.9   2.9=100
      HB2   SER   79 + H     SER   79  OK    77   100  80  96  2.1-3.6   1.8/326=70, 4.0=64, 6.1/328=18, 6.7/1035=14...(13)
      HA    VAL   77 - H     SER   79  far    0    89   0   -  6.7-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 328 from n15no.peaks (4.61, 8.54, 115.25 ppm; 3.24 A):
    1 out of 1 assignment used, quality = 0.66:
      HA    ARG   78 + H     SER   79  OK    66    68 100  97  2.4-2.6   3.6=75, 3.0/1035=45, 3.0/321=31, 4.2/2833=21...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 329 from n15no.peaks (8.70, 9.09, 119.98 ppm; 4.61 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   81 + H     LYS   80  OK   100   100 100 100  2.6-2.8   334=100, 1048/4.0=64, 1049/4.0=62, 1047/1041=47...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 330 from n15no.peaks (4.44, 8.54, 115.25 ppm; 3.43 A):
    2 out of 3 assignments used, quality = 1.00:
      HA    SER   79 + H     SER   79  OK   100   100 100 100  2.8-2.9   2.9=100
      HB2   SER   79 + H     SER   79  OK    77   100  80  96  2.1-3.6   1.8/326=70, 4.0=64, 6.1/328=18, 6.7/1035=14...(13)
      HA    VAL   77 - H     SER   79  far    0    89   0   -  6.7-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 331 from n15no.peaks (4.44, 9.09, 119.98 ppm; 4.05 A):
    2 out of 3 assignments used, quality = 1.00:
      HA    SER   79 + H     LYS   80  OK   100   100 100 100  2.2-2.3   3.6=100
      HB2   SER   79 + H     LYS   80  OK    60   100  63  96  2.7-4.2   4.5=72, 1.8/332=67, 327/4.6=20, 344/334=15...(9)
      HA    VAL   77 - H     LYS   80  far    0    89   0   -  8.8-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 332 from n15no.peaks (3.99, 9.09, 119.98 ppm; 4.38 A):
    1 out of 2 assignments used, quality = 0.99:
      HB3   SER   79 + H     LYS   80  OK    99   100 100  99  2.9-4.2   4.5=91, 326/4.6=52, 2846/334=38, 1.8/331=32...(6)
      HD2   PRO   75 - H     LYS   80  far    0   100   0   -  5.6-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 333 from n15no.peaks (3.79, 9.09, 119.98 ppm; 4.57 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    LYS   80 + H     LYS   80  OK   100   100 100 100  2.8-2.9   2.9=100
      HA    LEU   84 - H     LYS   80  far    0    78   0   -  7.5-8.2
      HA    ARG   66 - H     LYS   80  far    0    92   0   -  8.7-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 334 from n15no.peaks (9.10, 8.71, 116.92 ppm; 4.08 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LYS   80 + H     GLU   81  OK    99   100 100 100  2.6-2.8   329=69, 4.0/1048=51, 4.0/1049=49, 1041/1047=36...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 335 from n15no.peaks (7.86, 8.71, 116.92 ppm; 3.45 A):
    1 out of 2 assignments used, quality = 0.96:
      H     GLN   82 + H     GLU   81  OK    96    97 100  99  2.4-2.7   339=82, 347/350=35, 1062/4.0=34, 4.6/1050=31...(19)
      H     GLU   85 - H     GLU   81  far    0    96   0   -  5.3-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 336 from n15no.peaks (8.25, 8.71, 116.92 ppm; 4.71 A):
    1 out of 1 assignment used, quality = 0.95:
      H     MET   83 + H     GLU   81  OK    95    95 100 100  4.1-4.5   350=94, 347/335=78, 2918/3.0=59, 2903/3.6=56...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 337 from n15no.peaks (8.04, 8.71, 116.92 ppm; 5.06 A):
    1 out of 2 assignments used, quality = 0.96:
      H     LEU   84 + H     GLU   81  OK    96    97 100  99  4.6-4.9   2917/3.0=77, 353/336=66, 1080/1046=57, 2904/3.6=54
      H     ARG   78 - H     GLU   81  far    0    97   0   -  8.5-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 338 from n15no.peaks (8.25, 7.85, 118.66 ppm; 3.55 A):
    1 out of 1 assignment used, quality = 0.99:
      H     MET   83 + H     GLN   82  OK    99    99 100 100  2.2-2.5   347=96, 350/335=34, 4.5/1056=32, 2918/3.6=28...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 339 from n15no.peaks (8.72, 7.85, 118.66 ppm; 3.61 A):
    1 out of 1 assignment used, quality = 0.96:
      H     GLU   81 + H     GLN   82  OK    96    97 100 100  2.4-2.7   335=93, 4.0/1062=38, 350/347=36, 1050/4.6=33...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 340 from n15no.peaks (8.56, 7.85, 118.66 ppm; 4.72 A increased from 3.98 A):
    1 out of 1 assignment used, quality = 0.93:
      H     SER   79 + H     GLN   82  OK    93    93 100 100  4.4-4.8   322=89, 1031/1056=59, 320/347=55, 2.9/342=38...(8)
    Violated in 1 structures by 0.00 A.
 
    Peak 341 from n15no.peaks (3.94, 7.85, 118.66 ppm; 3.54 A):
    1 out of 1 assignment used, quality = 0.96:
      HA    GLN   82 + H     GLN   82  OK    96    96 100 100  2.8-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 342 from n15no.peaks (4.44, 7.85, 118.66 ppm; 4.48 A):
    2 out of 2 assignments used, quality = 0.97:
      HA    SER   79 + H     GLN   82  OK    88   100  95  93  4.3-4.5   2.9/340=60, 5.4/2905=34, 344/335=34, 1644/1646=29...(7)
      HB2   SER   79 + H     GLN   82  OK    76   100  98  78  2.0-4.4   4.0/340=49, 6.5/2905=26, 344/335=20, 2877/1054=10...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 343 from n15no.peaks (4.73, 7.85, 118.66 ppm; 4.73 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 344 from n15no.peaks (4.44, 8.71, 116.92 ppm; 4.58 A increased from 3.85 A):
    2 out of 2 assignments used, quality = 0.97:
      HA    SER   79 + H     GLU   81  OK    94   100  95  99  4.2-4.7   3.6/334=65, 3.0/346=60, 6.5/1048=32, 6.5/1049=31...(12)
      HB2   SER   79 + H     GLU   81  OK    56   100  58  98  2.9-5.1   1.8/346=73, 4.5/334=53, 342/335=27, 7.1/1048=26...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 345 from n15no.peaks (3.83, 8.71, 116.92 ppm; 3.41 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    GLU   81 + H     GLU   81  OK   100   100 100 100  2.8-2.9   3.0=100
      HD3   PRO  112 - H     GLU   81  far    0    68   0   -  9.6-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 346 from n15no.peaks (3.98, 8.71, 116.92 ppm; 4.82 A increased from 4.06 A):
    1 out of 3 assignments used, quality = 0.88:
      HB3   SER   79 + H     GLU   81  OK    88    89 100  99  3.1-4.8   2846=62, 4.5/334=58, 3.0/344=44, 1.8/344=32...(10)
      HA    GLN   82 - H     GLU   81  far    0    65   0   -  5.0-5.3
      HD2   PRO   75 - H     GLU   81  far    0    83   0   -  7.7-8.5
    Violated in 1 structures by 0.00 A.
 
    Peak 347 from n15no.peaks (7.86, 8.24, 119.02 ppm; 3.25 A):
    1 out of 2 assignments used, quality = 0.93:
      H     GLN   82 + H     MET   83  OK    93    97 100  97  2.2-2.5   338=74, 335/350=29, 1056/4.5=25, 3.6/2918=21...(14)
      H     GLU   85 - H     MET   83  far    0    96   0   -  4.0-4.4
    Violated in 0 structures by 0.00 A.
 
    Peak 348 from n15no.peaks (8.05, 8.24, 119.02 ppm; 3.31 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   84 + H     MET   83  OK    99   100 100  99  2.4-2.6   353=85, 1078/4.0=36, 3025/1074=34, 1079/3014=29...(15)
      H     ARG   78 - H     MET   83  far    0    68   0   -  6.6-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 349 from n15no.peaks (8.53, 8.24, 119.02 ppm; 4.66 A):
    1 out of 2 assignments used, quality = 0.98:
      H     SER   79 + H     MET   83  OK    98    98 100 100  4.0-4.6   320=93, 322/347=59, 1031/4.5=56, 4.6/1077=45...(7)
      H     LEU   89 - H     MET   83  far    0    73   0   -  9.0-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 350 from n15no.peaks (8.71, 8.24, 119.02 ppm; 4.52 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   81 + H     MET   83  OK   100   100 100 100  4.1-4.5   336=83, 335/347=78, 3.6/2903=50, 3.0/2918=49...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 351 from n15no.peaks (3.67, 8.24, 119.02 ppm; 3.56 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    MET   83 + H     MET   83  OK    99    99 100 100  2.9-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 352 from n15no.peaks (3.96, 8.24, 119.02 ppm; 3.93 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLN   82 + H     MET   83  OK   100   100 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 353 from n15no.peaks (8.25, 8.05, 118.79 ppm; 3.42 A):
    1 out of 1 assignment used, quality = 0.94:
      H     MET   83 + H     LEU   84  OK    94    95 100 100  2.4-2.6   348=94, 4.0/1078=39, 1074/3025=35, 3014/1079=34...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 354 from n15no.peaks (7.88, 8.05, 118.79 ppm; 3.27 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU   85 + H     LEU   84  OK    99   100 100  99  2.7-3.0   355=90, 1087/1079=55, 3024/1080=32, 360/361=28...(13)
      H     GLN   82 - H     LEU   84  far    0    68   0   -  3.7-4.2
    Violated in 0 structures by 0.00 A.
 
    Peak 355 from n15no.peaks (8.05, 7.87, 117.57 ppm; 3.37 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   84 + H     GLU   85  OK   100   100 100 100  2.7-3.0   354=100, 1079/1087=58, 3025/3024=34, 353/356=30...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 356 from n15no.peaks (8.25, 7.87, 117.57 ppm; 4.69 A):
    1 out of 1 assignment used, quality = 0.94:
      H     MET   83 + H     GLU   85  OK    94    95 100 100  4.0-4.4   353/354=82, 3.6/385=62, 3014/1087=59, 1074/3024=51...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 357 from n15no.peaks (7.57, 7.87, 117.57 ppm; 4.83 A increased from 4.54 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   87 + H     GLU   85  OK   100   100 100 100  4.3-4.7   363/360=81, 3017/3.6=62, 3011/1087=58, 4.1/1088=46...(15)
    Violated in 1 structures by 0.00 A.
 
    Peak 358 from n15no.peaks (7.20, 7.87, 117.57 ppm; 3.48 A):
    1 out of 2 assignments used, quality = 0.94:
      H     LEU   86 + H     GLU   85  OK    94    95 100 100  2.6-2.9   360=91, 383/3.6=33, 361/354=32, 3009/1087=32...(16)
      HZ    PHE   47 - H     GLU   85  far    0    76   0   -  7.7-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 359 from n15no.peaks (7.57, 7.19, 118.75 ppm; 3.29 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   87 + H     LEU   86  OK   100   100 100 100  2.5-2.9   363=94, 1108/3.2=37, 364/362=30, 1106/1097=27...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 360 from n15no.peaks (7.88, 7.19, 118.75 ppm; 3.52 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   85 + H     LEU   86  OK   100   100 100 100  2.6-2.9   358=94, 3.6/383=36, 354/361=35, 1087/3009=33...(16)
      H     GLN   82 - H     LEU   86  far    0    68   0   -  5.9-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 361 from n15no.peaks (8.05, 7.19, 118.75 ppm; 4.61 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   84 + H     LEU   86  OK   100   100 100 100  3.9-4.2   354/360=79, 3.0/383=69, 3.6/382=67, 1079/3009=66...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 362 from n15no.peaks (8.97, 7.19, 118.75 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 0.92:
      H     VAL   88 + H     LEU   86  OK    92   100  93 100  3.8-4.5   364/359=73, 372/3.6=62, 370=49, 3093/1097=45...(17)
    Violated in 3 structures by 0.03 A.
 
    Peak 363 from n15no.peaks (7.20, 7.57, 121.37 ppm; 3.36 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   86 + H     LEU   87  OK   100   100 100 100  2.5-2.9   359=100, 3.2/1108=39, 362/364=32, 1097/1106=29...(16)
      HZ    PHE   47 - H     LEU   87  far    0    92   0   -  4.5-4.8
    Violated in 0 structures by 0.00 A.
 
    Peak 364 from n15no.peaks (8.97, 7.57, 121.37 ppm; 3.45 A):
    1 out of 1 assignment used, quality = 0.96:
      H     VAL   88 + H     LEU   87  OK    96    96 100 100  2.3-2.5   369=88, 1123/1104=38, 3107/1110=35, 362/359=35...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 365 from n15no.peaks (8.52, 8.96, 123.63 ppm; 3.66 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   89 + H     VAL   88  OK    99    99 100 100  2.8-3.0   401=98, 1130/4.0=47, 4.3/1121=42, 3166/1122=38...(18)
      H     LEU   68 - H     VAL   88  far    0   100   0   -  7.7-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 366 from n15no.peaks (8.52, 7.57, 121.37 ppm; 4.63 A):
    1 out of 2 assignments used, quality = 0.98:
      H     LEU   89 + H     LEU   87  OK    98    99 100  99  3.5-3.9   365/369=73, 3088/3.6=57, 4.3/1107=55, 3166/6.5=30...(10)
      H     LEU   68 - H     LEU   87  far    0   100   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 367 from n15no.peaks (7.74, 8.96, 123.63 ppm; 4.89 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   90 + H     VAL   88  OK   100   100 100 100  4.5-4.8   405=91, 404/401=78, 407/3.6=69, 3092/3093=46...(13)
      H     ALA   63 - H     VAL   88  far    0    90   0   -  9.8-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 368 from n15no.peaks (7.90, 8.96, 123.63 ppm; 4.92 A):
    2 out of 2 assignments used, quality = 0.94:
      H     GLN   91 + H     VAL   88  OK    82    85 100  96  4.5-4.8   4.6/367=50, 3155/3.0=48, 1159/1122=47, 1150/321=43...(8)
      H     GLU   85 + H     VAL   88  OK    65    65 100 100  4.6-4.9   3.0/372=82, 4.5/362=56, 3.6/3020=55, 4.0/3015=49...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 369 from n15no.peaks (7.57, 8.96, 123.63 ppm; 3.55 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   87 + H     VAL   88  OK   100   100 100 100  2.3-2.5   364=96, 1104/1123=42, 1110/3107=38, 359/362=38...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 370 from n15no.peaks (7.20, 8.96, 123.63 ppm; 4.40 A):
    2 out of 2 assignments used, quality = 0.99:
      HZ    PHE   47 + H     VAL   88  OK    92    92 100 100  2.8-3.4   321=84, 88/3.0=75, 294/3.9=56, 290/4.4=46...(10)
      H     LEU   86 + H     VAL   88  OK    90   100  90 100  3.8-4.5   362=98, 359/369=73, 3.6/372=62, 1097/3093=44...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 371 from n15no.peaks (4.50, 8.96, 123.63 ppm; 4.43 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LEU   87 + H     VAL   88  OK   100   100 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 372 from n15no.peaks (4.06, 8.96, 123.63 ppm; 4.03 A):
    1 out of 3 assignments used, quality = 0.98:
      HA    GLU   85 + H     VAL   88  OK    98    98 100 100  3.5-3.9   3045=97, 3151/1121=60, 3032/3.9=50, 3.6/362=47...(13)
      HA    GLU   90 - H     VAL   88  far    0    65   0   -  7.2-7.5
      HA    LEU   68 - H     VAL   88  far    0   100   0   -  9.3-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 373 from n15no.peaks (3.72, 8.96, 123.63 ppm; 3.72 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    VAL   88 + H     VAL   88  OK    99    99 100 100  2.7-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 374 from n15no.peaks (4.50, 7.57, 121.37 ppm; 3.71 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LEU   87 + H     LEU   87  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 375 from n15no.peaks (4.19, 7.57, 121.37 ppm; 4.22 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LEU   86 + H     LEU   87  OK   100   100 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 376 from n15no.peaks (3.73, 7.57, 121.37 ppm; 3.93 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    VAL   88 + H     LEU   87  far    0    92   0   -  4.9-5.0
    Violated in 20 structures by 1.05 A.
 
    Peak 377 from n15no.peaks (4.49, 7.19, 118.75 ppm; 5.45 A increased from 5.12 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    LEU   87 + H     LEU   86  OK    99    99 100 100  5.2-5.4   3.0/359=98, 847/1097=80, 3.6/362=79, 6.0=74...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 378 from n15no.peaks (4.20, 7.19, 118.75 ppm; 3.58 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LEU   86 + H     LEU   86  OK   100   100 100 100  2.7-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 380 from n15no.peaks (4.09, 7.19, 118.75 ppm; 4.05 A):
    1 out of 1 assignment used, quality = 0.93:
      HA    GLU   85 + H     LEU   86  OK    93    93 100 100  3.4-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 381 from n15no.peaks (3.96, 7.19, 118.75 ppm; 5.27 A increased from 4.68 A):
    1 out of 3 assignments used, quality = 0.94:
      HA    GLN   82 + H     LEU   86  OK    94   100 100  94  4.6-5.2   385/360=63, 5.3/382=58, 7.0/361=35, 8.2/3009=25
      HA    LEU   89 - H     LEU   86  far    0    83   0   -  7.0-7.2
      HA    PRO  112 - H     LEU   86  far    0    73   0   -  8.3-8.9
    Violated in 1 structures by 0.00 A.
 
    Peak 382 from n15no.peaks (3.67, 7.19, 118.75 ppm; 3.96 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    MET   83 + H     LEU   86  OK    97    99 100  98  3.3-3.7   3062/3080=49, 2975/1098=48, 3.6/361=43, 5.4/383=29...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 383 from n15no.peaks (3.78, 7.19, 118.75 ppm; 4.36 A):
    1 out of 5 assignments used, quality = 0.92:
      HA    LEU   84 + H     LEU   86  OK    92    92 100 100  3.7-4.1   3.6/360=68, 2.5/3009=63, 3.0/361=59, 3016=56...(14)
      HD3   PRO  112 - H     LEU   86  far    0    63   0   -  5.4-5.9
      HA    LYS   80 - H     LEU   86  far    0    96   0   -  6.8-7.6
      HA    ARG   66 - H     LEU   86  far    0    78   0   -  6.8-8.1
      HA    LEU   62 - H     LEU   86  far    0   100   0   -  9.7-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 384 from n15no.peaks (4.08, 7.87, 117.57 ppm; 3.49 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    GLU   85 + H     GLU   85  OK    99    99 100 100  2.7-2.8   3.0=100
      HA    ALA   63 - H     GLU   85  far    0    78   0   -  9.1-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 385 from n15no.peaks (3.94, 7.87, 117.57 ppm; 4.43 A increased from 3.73 A):
    1 out of 3 assignments used, quality = 0.79:
      HA    GLN   82 + H     GLU   85  OK    79    96  98  84  4.0-4.5   3.6/356=53, 381/360=37, 7.0/354=25, 5.4/2916=17
      HA    LEU   89 - H     GLU   85  far    0   100   0   -  7.1-7.7
      HA    LEU   65 - H     GLU   85  far    0    76   0   -  9.2-10.5
    Violated in 2 structures by 0.01 A.
 
    Peak 386 from n15no.peaks (3.78, 7.87, 117.57 ppm; 3.90 A):
    1 out of 6 assignments used, quality = 0.92:
      HA    LEU   84 + H     GLU   85  OK    92    92 100 100  3.5-3.6   3.6=100
      HA    LYS   80 - H     GLU   85  far    0    96   0   -  5.2-6.1
      HA    ARG   66 - H     GLU   85  far    0    78   0   -  5.2-6.4
      HD3   PRO  112 - H     GLU   85  far    0    63   0   -  5.4-6.0
      HA    LEU   62 - H     GLU   85  far    0   100   0   -  8.4-9.7
      HA    GLU  113 - H     GLU   85  far    0    83   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 387 from n15no.peaks (3.78, 8.05, 118.79 ppm; 3.34 A):
    2 out of 4 assignments used, quality = 0.95:
      HA    LEU   84 + H     LEU   84  OK    92    92 100 100  2.7-2.8   3.0=100
      HA    LYS   80 + H     LEU   84  OK    42    96  48  92  2.6-3.7   2861/1080=32, 2903/353=26, 2904=26, 3.6/337=24...(11)
      HA    ARG   66 - H     LEU   84  far    0    78   0   -  5.3-6.4
      HD3   PRO  112 - H     LEU   84  far    0    63   0   -  8.3-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 388 from n15no.peaks (8.12, 6.87, 110.81 ppm; 5.50 A increased from 4.95 A):
    1 out of 2 assignments used, quality = 0.30:
      H     GLN   64 + HE22  GLN   64  OK    30    99  30 100  5.5-5.6   188/1.7=94, 907/3.5=92, 908/3.5=91, 909/4.6=81...(10)
      H     LEU   62 - HE22  GLN   64  far    0   100   0   -  7.7-8.0
    Violated in 20 structures by 0.12 A.
 
    Peak 389 from n15no.peaks (4.23, 7.73, 121.10 ppm; 3.87 A increased from 3.44 A):
    1 out of 4 assignments used, quality = 0.89:
      HA    GLU   60 + H     ALA   63  OK    89    97 100  92  3.3-3.7   2225/900=71, 5.3/2216=23, ~863=20, 2247/180=20...(9)
      HA3   GLY   57 - H     ALA   63  far    0    68   0   -  7.9-8.7
      HA    GLU   67 - H     ALA   63  far    0    78   0   -  8.5-8.9
      HA    THR   56 - H     ALA   63  far    0    85   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 390 from n15no.peaks (4.10, 7.73, 121.10 ppm; 3.17 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    ALA   63 + H     ALA   63  OK   100   100 100 100  2.8-2.8   2.9=100
      HA    GLN   64 - H     ALA   63  far    0    87   0   -  5.1-5.4
      HA    TYR   52 - H     ALA   63  far    0   100   0   -  7.8-9.4
      HD2   PRO   58 - H     ALA   63  far    0    97   0   -  8.8-9.8
      HA    GLU   85 - H     ALA   63  far    0    60   0   -  9.1-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 391 from n15no.peaks (3.78, 7.73, 121.10 ppm; 3.93 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    LEU   62 + H     ALA   63  OK   100   100 100 100  3.5-3.6   3.6=100
      HA    GLU  113 - H     ALA   63  far    0    83   0   -  7.2-7.6
      HA    ARG   66 - H     ALA   63  far    0    78   0   -  7.2-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 392 from n15no.peaks (4.26, 8.13, 118.48 ppm; 3.81 A):
    0 out of 2 assignments used, quality = 0.00:
      HB    THR   56 + H     GLN   64  far    0    71   0   -  8.4-9.4
      HA    THR   56 + H     GLN   64  far    0    96   0   -  9.5-10.6
    Violated in 20 structures by 4.76 A.
 
    Peak 393 from n15no.peaks (4.12, 8.13, 118.48 ppm; 3.11 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    GLN   64 + H     GLN   64  OK   100   100 100 100  2.8-2.9   2.9=100
      HA    ALA   63 - H     GLN   64  far    0    73   0   -  3.5-3.5
      HA    TYR   52 - H     GLN   64  far    0    73   0   -  7.7-8.7
      HA    PHE   50 - H     GLN   64  far    0    90   0   -  9.2-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 394 from n15no.peaks (4.13, 6.87, 110.81 ppm; 5.50 A increased from 4.93 A):
    1 out of 2 assignments used, quality = 0.83:
      HA    GLN   64 + HE22  GLN   64  OK    83    95  88 100  5.4-5.6   396/1.7=89, 3.0/924=87, 159/3.5=86, 1336/3.5=84...(9)
      HA    PHE   50 - HE22  GLN   64  far    0    99   0   -  8.9-10.0
    Violated in 17 structures by 0.05 A.
 
    Peak 396 from n15no.peaks (4.12, 7.65, 110.83 ppm; 4.98 A increased from 4.68 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    GLN   64 + HE21  GLN   64  OK   100   100 100 100  4.6-4.9   159/912=84, 1340/915=80, 1336/3.5=78, 2.9/188=74...(9)
      HA    ALA   63 - HE21  GLN   64  far    0    73   0   -  6.7-7.0
      HA    TYR   52 - HE21  GLN   64  far    0    73   0   -  8.4-9.3
      HA    PHE   50 - HE21  GLN   64  far    0    90   0   -  9.6-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 397 from n15no.peaks (7.55, 7.65, 118.26 ppm; 3.37 A):
    1 out of 1 assignment used, quality = 0.96:
      H     ARG   46 + H     PHE   47  OK    96    99 100  98  2.3-2.7   3.3/677=44, 4.6=40, 662/675=29, 1961/4.4=28...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 398 from n15no.peaks (8.59, 7.62, 108.98 ppm; 5.50 A increased from 5.03 A):
    1 out of 1 assignment used, quality = 0.96:
      H     GLU   60 + H     GLY   57  OK    96    98 100  98  5.3-5.5   1776/827=74, 859/4.8=58, 2239/824=54, 4.0/823=43
    Violated in 13 structures by 0.02 A.
 
    Peak 399 from n15no.peaks (6.90, 7.62, 108.98 ppm; 4.65 A):
    0 out of 3 assignments used, quality = 0.00:
      HZ    PHE   92 + H     GLY   57  far    0    97   0   -  7.6-8.2
      QD    PHE   92 + H     GLY   57  far    0    90   0   -  8.2-9.2
      HE22  GLN   59 + H     GLY   57  far    0    96   0   -  9.1-9.9
    Violated in 20 structures by 2.55 A.
 
    Peak 400 from n15no.peaks (6.55, 7.62, 108.98 ppm; 5.05 A):
    1 out of 1 assignment used, quality = 0.96:
      QE    TYR   52 + H     GLY   57  OK    96    96 100 100  3.8-4.9   2183/821=74, 48/4.8=63, 231/825=61, 236/827=57...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 401 from n15no.peaks (8.97, 8.51, 120.96 ppm; 3.62 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL   88 + H     LEU   89  OK   100   100 100 100  2.8-3.0   365=95, 3160/1130=47, 1121/4.3=41, 1122/4.3=35...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 402 from n15no.peaks (7.37, 7.75, 116.53 ppm; 4.61 A):
    0 out of 2 assignments used, quality = 0.00:
      QE    PHE   47 + H     GLU   90  far    0    99   0   -  5.7-6.1
      HH2   TRP   72 + H     GLU   90  far    0    76   0   -  7.8-8.6
    Violated in 20 structures by 1.17 A.
 
    Peak 403 from n15no.peaks (7.93, 7.75, 116.53 ppm; 3.70 A):
    1 out of 2 assignments used, quality = 0.92:
      H     GLN   91 + H     GLU   90  OK    92    98 100  94  2.5-2.7   1157/3.3=54, 4.6=52, 413/406=31, 3155/6.9=14...(11)
      H     ALA  115 - H     GLU   90  far    0    83   0   -  9.0-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 404 from n15no.peaks (8.51, 7.75, 116.53 ppm; 3.65 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   89 + H     GLU   90  OK   100   100 100 100  2.7-3.0   412=94, 4.0/1144=44, 1131/1146=44, 401/367=32...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 405 from n15no.peaks (8.96, 7.75, 116.53 ppm; 5.04 A increased from 4.75 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL   88 + H     GLU   90  OK   100   100 100 100  4.5-4.8   367=100, 401/404=80, 3.6/407=72, 3093/3092=49...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 406 from n15no.peaks (9.17, 7.75, 116.53 ppm; 5.05 A):
    1 out of 1 assignment used, quality = 0.94:
      H     PHE   92 + H     GLU   90  OK    94    95 100  99  4.3-4.5   413/403=78, 2935/3.6=60, 1164/1143=58, 3158/6.9=31...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 407 from n15no.peaks (4.50, 7.75, 116.53 ppm; 4.32 A):
    1 out of 2 assignments used, quality = 0.94:
      HA    LEU   87 + H     GLU   90  OK    94   100 100  94  3.3-3.6   3.6/367=47, 3204/1143=46, 847/3092=45, 5.4/408=30...(7)
      HA    ALA   95 - H     GLU   90  far    0   100   0   -  9.8-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 408 from n15no.peaks (4.18, 7.75, 116.53 ppm; 5.22 A increased from 4.40 A):
    1 out of 1 assignment used, quality = 0.95:
      HA    LEU   86 + H     GLU   90  OK    95    96 100 100  4.6-5.2   3087=70, 1886/1146=66, 3088/404=65, 1888/1144=58...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 409 from n15no.peaks (4.05, 7.75, 116.53 ppm; 3.51 A):
    1 out of 2 assignments used, quality = 0.92:
      HA    GLU   90 + H     GLU   90  OK    92    92 100 100  2.8-2.8   3.0=100
      HA    GLU   85 - H     GLU   90  far    0    81   0   -  5.2-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 410 from n15no.peaks (3.94, 7.75, 116.53 ppm; 4.00 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    LEU   89 + H     GLU   90  OK    99    99 100 100  3.6-3.6   3.6=100
      HA    GLN   91 - H     GLU   90  far    0    65   0   -  5.1-5.3
      HA    LEU   65 - H     GLU   90  far    0    71   0   -  9.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 411 from n15no.peaks (3.78, 7.75, 116.53 ppm; 5.50 A increased from 4.88 A):
    1 out of 7 assignments used, quality = 0.50:
      HD3   PRO  112 + H     GLU   90  OK    50    65  80  96  5.4-5.7   470/404=79, 3754/1146=43, 3753/4.8=41, 3758/1144=38
      HA3   GLY   94 - H     GLU   90  far    0    78   0   -  6.5-7.0
      HA    LEU   93 - H     GLU   90  far    0    65   0   -  7.3-7.6
      HA2   GLY   94 - H     GLU   90  far    0    98   0   -  7.5-8.1
      HA    LEU   84 - H     GLU   90  far    0    90   0   -  7.7-8.2
      HA    LEU   62 - H     GLU   90  far    0   100   0   -  8.7-9.9
      HA    ARG   66 - H     GLU   90  far    0    81   0   -  9.1-10.3
    Violated in 17 structures by 0.07 A.
 
    Peak 412 from n15no.peaks (7.76, 8.51, 120.96 ppm; 3.69 A):
    1 out of 3 assignments used, quality = 0.97:
      H     GLU   90 + H     LEU   89  OK    97    97 100 100  2.7-3.0   404=97, 1144/4.0=44, 1146/1131=44, 405/401=30...(15)
      H     GLY   94 - H     LEU   89  far    0    87   0   -  7.0-7.6
      H     GLY   94 - H     GLN  101  far    0    70   0   -  8.7-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 413 from n15no.peaks (9.16, 7.92, 119.05 ppm; 3.53 A):
    1 out of 1 assignment used, quality = 0.99:
      H     PHE   92 + H     GLN   91  OK    99    99 100  99  2.5-2.7   420=85, 427/3.0=28, 4.0/1158=27, 406/403=27...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 414 from n15no.peaks (3.82, 6.67, 114.91 ppm; 4.65 A):
    1 out of 3 assignments used, quality = 0.88:
      HA    ARG   48 + HE21  GLN   91  OK    88    97 100  91  2.0-4.3   1996=68, 1995/1.7=57, 3.4/1064=18, 5.4/416=12
      HA    ARG   66 - HE21  GLN   91  far    0    76   0   -  9.0-12.1
      HD2   PRO   97 - HE21  GLN   91  far    0   100   0   -  9.7-11.9
    Violated in 2 structures by 0.01 A.
 
    Peak 415 from n15no.peaks (3.97, 6.67, 114.91 ppm; 4.98 A):
    1 out of 4 assignments used, quality = 0.94:
      HA    GLN   91 + HE21  GLN   91  OK    94   100 100  94  2.1-4.0   1859=73, 1858/1.7=70, 427/7.0=17, 1860/447=12
      HA    PHE   92 - HE21  GLN   91  poor  16    81  20   -  3.6-6.2
      HA    ARG   46 - HE21  GLN   91  far    0    98   0   -  7.7-9.0
      HA    PRO  112 - HE21  GLN   91  far    0    99   0   -  9.2-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 416 from n15no.peaks (4.51, 6.67, 114.91 ppm; 5.47 A):
    2 out of 3 assignments used, quality = 0.86:
      HA    ALA   95 + HE21  GLN   91  OK    75    95  80  99  4.1-6.0   ~1719=80, 2.1/1064=70, ~1162=62, ~446=58
      HA    CYS   49 + HE21  GLN   91  OK    42    85  80  62  3.8-5.5   5.4/414=55, 6.0/1064=14
      HA    LEU   87 - HE21  GLN   91  far    0    92   0   -  6.5-9.4
    Violated in 1 structures by 0.00 A.
 
    Peak 417 from n15no.peaks (6.68, 6.44, 114.91 ppm; 3.60 A):
    1 out of 1 assignment used, quality = 0.99:
      HE21  GLN   91 + HE22  GLN   91  OK    99    99 100 100  1.7-1.7   1.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 418 from n15no.peaks (6.45, 6.67, 114.91 ppm; 3.38 A):
    1 out of 1 assignment used, quality = 0.99:
      HE22  GLN   91 + HE21  GLN   91  OK    99    99 100 100  1.7-1.7   1.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 419 from n15no.peaks (8.14, 9.15, 120.25 ppm; 3.73 A):
    1 out of 3 assignments used, quality = 0.99:
      H     LEU   93 + H     PHE   92  OK    99    99 100 100  2.6-2.9   421=99, 444/429=53, 422/430=37, 440/4.5=35...(17)
      H     LEU   62 - H     PHE   92  far    0    81   0   -  7.3-8.4
      H     GLN   64 - H     PHE   92  far    0    96   0   -  9.0-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 420 from n15no.peaks (7.92, 9.15, 120.25 ppm; 3.73 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLN   91 + H     PHE   92  OK   100   100 100 100  2.5-2.7   413=99, 3.0/427=31, 1158/4.0=30, 1157/1164=29...(14)
      H     ALA  115 - H     PHE   92  far    0    65   0   -  8.4-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 421 from n15no.peaks (9.15, 8.13, 115.07 ppm; 3.68 A):
    1 out of 1 assignment used, quality = 1.00:
      H     PHE   92 + H     LEU   93  OK   100   100 100 100  2.6-2.9   419=96, 429/444=52, 430/422=35, 4.5/440=35...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 422 from n15no.peaks (8.14, 7.78, 104.10 ppm; 3.43 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   93 + H     GLY   94  OK    99    99 100 100  2.5-2.7   438=93, 765/1178=37, 4.0/1176=37, 439/431=35...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 423 from n15no.peaks (7.78, 7.61, 121.42 ppm; 3.25 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLY   94 + H     ALA   95  OK   100   100 100 100  2.5-2.7   431=100, 3.0/450=50, 1177/2.9=34, 432/445=32...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 424 from n15no.peaks (6.91, 9.15, 120.25 ppm; 4.62 A):
    1 out of 4 assignments used, quality = 0.99:
      QD    PHE   92 + H     PHE   92  OK    99    99 100 100  4.1-4.2   4.5=100
      H     LEU   96 - H     PHE   92  far    0    71   0   -  6.1-7.1
      HZ    PHE   92 - H     PHE   92  far    0    87   0   -  7.8-7.9
      H     PHE   50 - H     PHE   92  far    0    92   0   -  7.9-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 425 from n15no.peaks (7.37, 9.15, 120.25 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 1.00:
      QE    PHE   47 + H     PHE   92  OK   100   100 100 100  4.4-5.1   319/1171=74, 2397/2401=74, 2762/1169=68, 98/4.6=65...(9)
      H     GLU   67 - H     PHE   92  far    0    81   0   -  9.7-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 426 from n15no.peaks (7.62, 9.15, 120.25 ppm; 5.06 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA   95 + H     PHE   92  OK   100   100 100 100  4.5-4.7   3241/3.0=73, 431/430=70, 439/421=68, 1111/1728=64...(11)
      HE21  GLN  101 - H     PHE   92  far    0   100   0   -  7.7-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 427 from n15no.peaks (3.98, 9.15, 120.25 ppm; 3.54 A):
    2 out of 3 assignments used, quality = 1.00:
      HA    GLN   91 + H     PHE   92  OK    98    98 100 100  3.5-3.6   3.6=97, 3.0/413=55, 435/430=30, 1863/421=23...(16)
      HA    PHE   92 + H     PHE   92  OK    93    93 100 100  2.8-2.8   3.0=100
      HA    PRO  112 - H     PHE   92  far    0   100   0   -  5.0-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 428 from n15no.peaks (3.76, 9.15, 120.25 ppm; 5.41 A increased from 4.33 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    LEU   93 + H     PHE   92  OK   100   100 100 100  5.2-5.4   3.0/421=94, 3.6/430=73, 6.3=64, 6.3/429=54...(12)
      HA    LEU   62 - H     PHE   92  far    2    73   3   -  5.5-6.6
      HA3   GLY   94 - H     PHE   92  far    0   100   0   -  5.6-5.9
      HA    LEU   84 - H     PHE   92  far    0    99   0   -  8.9-9.7
    Violated in 2 structures by 0.01 A.
 
    Peak 429 from n15no.peaks (3.08, 9.15, 120.25 ppm; 3.28 A):
    1 out of 1 assignment used, quality = 0.83:
      HB2   PHE   92 + H     PHE   92  OK    83    89 100  93  2.3-2.6   4.0=54, 444/421=37, 2.4/129=29, 3238/2317=16...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 430 from n15no.peaks (9.16, 7.78, 104.10 ppm; 4.73 A):
    1 out of 1 assignment used, quality = 0.99:
      H     PHE   92 + H     GLY   94  OK    99    99 100 100  3.8-4.3   419/422=76, 3.6/435=71, 426/431=57, 428/3.6=49...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 431 from n15no.peaks (7.62, 7.78, 104.10 ppm; 3.23 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA   95 + H     GLY   94  OK   100   100 100 100  2.5-2.7   423=98, 450/3.0=49, 2.9/1177=33, 445/432=31...(17)
      HE21  GLN  101 - H     GLY   94  far    0   100   0   -  4.2-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 432 from n15no.peaks (6.93, 7.78, 104.10 ppm; 4.39 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   96 + H     GLY   94  OK    99   100 100  99  3.9-4.4   445/431=79, 3.6/1177=56, 461/3.0=49, 3.6/434=44...(9)
      QD    PHE   92 - H     GLY   94  far    0    93   0   -  5.1-5.6
    Violated in 3 structures by 0.00 A.
 
    Peak 433 from n15no.peaks (6.70, 7.78, 104.10 ppm; 4.95 A increased from 4.66 A):
    1 out of 3 assignments used, quality = 0.92:
      HE22  GLN  101 + H     GLY   94  OK    92    96 100  96  4.2-4.9   3306/3.0=62, 3302/3.0=55, 1209/1181=40, 447/431=29...(6)
      HE21  GLN   91 - H     GLY   94  far    0    60   0   -  5.3-6.6
      HE22  GLN  105 - H     GLY   94  far    0    99   0   -  6.5-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 434 from n15no.peaks (4.50, 7.78, 104.10 ppm; 5.29 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    ALA   95 + H     GLY   94  OK   100   100 100 100  5.1-5.3   3.0/431=97, 2.1/1177=93, 3.6/432=76, 6.2=63...(10)
      HA    LEU   87 - H     GLY   94  far    0   100   0   -  7.7-8.2
    Violated in 1 structures by 0.00 A.
 
    Peak 435 from n15no.peaks (3.98, 7.78, 104.10 ppm; 3.92 A increased from 3.69 A):
    1 out of 4 assignments used, quality = 0.97:
      HA    GLN   91 + H     GLY   94  OK    97    98 100  99  3.6-3.9   1861=78, 3220/3.0=56, 3.6/430=40, 1860/431=36...(9)
      HA    PHE   92 - H     GLY   94  far    0    93   0   -  4.4-4.9
      HA    PRO  112 - H     GLY   94  far    0   100   0   -  6.9-7.8
      HA    GLN  105 - H     GLY   94  far    0   100   0   -  9.8-10.6
    Violated in 1 structures by 0.00 A.
 
    Peak 436 from n15no.peaks (3.76, 7.78, 104.10 ppm; 2.93 A):
    2 out of 4 assignments used, quality = 1.00:
      HA3   GLY   94 + H     GLY   94  OK    99    99 100 100  2.3-2.3   3.0=98, 450/431=37, 3220/435=23, 4.4/1177=19...(12)
      HA2   GLY   94 + H     GLY   94  OK    73    73 100 100  2.8-2.9   3.0=98, 3.6/431=34, 4.4/1177=19, 461/432=14...(11)
      HA    LEU   93 - H     GLY   94  far    0    96   0   -  3.5-3.6
      HA    LEU   62 - H     GLY   94  far    0    89   0   -  9.0-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 437 from n15no.peaks (3.10, 7.78, 104.10 ppm; 5.21 A increased from 4.63 A):
    1 out of 1 assignment used, quality = 1.00:
      HB2   PHE   92 + H     GLY   94  OK   100   100 100 100  4.7-5.1   444/422=85, 4.0/430=64, 6.3/435=44, 6.8/1176=40...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 438 from n15no.peaks (7.78, 8.13, 115.07 ppm; 3.50 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLY   94 + H     LEU   93  OK   100   100 100 100  2.5-2.7   422=99, 1178/765=39, 1176/4.0=39, 431/439=36...(15)
      H     ALA  117 - H     LEU   93  far    0    85   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 439 from n15no.peaks (7.62, 8.13, 115.07 ppm; 4.42 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ALA   95 + H     LEU   93  OK    97    97 100 100  3.8-4.0   431/422=74, 2.9/1726=53, 3241/3.6=52, 450/3305=48...(16)
      HE21  GLN  101 - H     LEU   93  far    0   100   0   -  4.9-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 440 from n15no.peaks (6.92, 8.13, 115.07 ppm; 3.98 A):
    1 out of 4 assignments used, quality = 1.00:
      QD    PHE   92 + H     LEU   93  OK   100   100 100 100  2.9-3.5   2.4/444=75, 4.5=67, 3289/3294=44, 4.5/421=44...(18)
      H     LEU   96 - H     LEU   93  far    0    87   0   -  4.7-5.8
      HZ    PHE   92 - H     LEU   93  far    0    71   0   -  6.9-7.3
      H     PHE   50 - H     LEU   93  far    0    78   0   -  9.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 441 from n15no.peaks (7.37, 8.13, 115.07 ppm; 4.87 A):
    0 out of 1 assignment used, quality = 0.00:
      QE    PHE   47 + H     LEU   93  far    0   100   0   -  6.9-7.5
    Violated in 20 structures by 2.47 A.
 
    Peak 442 from n15no.peaks (3.98, 8.13, 115.07 ppm; 3.85 A):
    1 out of 5 assignments used, quality = 0.93:
      HA    PHE   92 + H     LEU   93  OK    93    93 100 100  3.5-3.6   3.6=100
      HA    PRO  112 - H     LEU   93  far    0   100   0   -  4.4-5.2
      HA    GLN   91 - H     LEU   93  far    0    98   0   -  4.6-5.0
      HB3   SER  111 - H     LEU   93  far    0    92   0   -  9.5-10.1
      HA    GLN  105 - H     LEU   93  far    0   100   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 443 from n15no.peaks (3.75, 8.13, 115.07 ppm; 3.58 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    LEU   93 + H     LEU   93  OK   100   100 100 100  2.8-2.9   3.0=100
      HA3   GLY   94 - H     LEU   93  far    0    99   0   -  4.8-5.0
    Violated in 0 structures by 0.00 A.
 
    Peak 444 from n15no.peaks (3.09, 8.13, 115.07 ppm; 3.56 A):
    1 out of 1 assignment used, quality = 0.97:
      HB2   PHE   92 + H     LEU   93  OK    97    98 100  99  2.2-2.6   4.4=54, 2.4/440=54, 429/421=47, 437/422=27...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 445 from n15no.peaks (6.93, 7.61, 121.42 ppm; 3.21 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   96 + H     ALA   95  OK    99   100 100  99  2.3-2.9   452=89, 3.6/1111=45, 432/431=31, 461/3.6=23...(11)
      QD    PHE   92 - H     ALA   95  far    0    93   0   -  5.3-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 446 from n15no.peaks (6.44, 7.61, 121.42 ppm; 5.05 A):
    1 out of 1 assignment used, quality = 0.99:
      HE22  GLN   91 + H     ALA   95  OK    99   100 100  99  3.9-5.1   1719/1111=83, ~1720=62, ~1064=43, 1858/1860=42...(8)
    Violated in 1 structures by 0.00 A.
 
    Peak 447 from n15no.peaks (6.70, 7.61, 121.42 ppm; 5.35 A increased from 4.76 A):
    2 out of 3 assignments used, quality = 0.84:
      HE22  GLN  101 + H     ALA   95  OK    61    96  65  98  5.0-6.2   433/431=73, 3306/3.6=63, 3302/450=59, 1209/1113=41
      HE21  GLN   91 + H     ALA   95  OK    60    60 100 100  4.4-5.2   1720/1111=90, 1.7/446=88, ~1719=67, ~1162=52...(8)
      HE22  GLN  105 - H     ALA   95  far    0    99   0   -  7.8-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 448 from n15no.peaks (4.51, 7.61, 121.42 ppm; 3.38 A):
    1 out of 3 assignments used, quality = 0.95:
      HA    ALA   95 + H     ALA   95  OK    95    95 100 100  2.8-2.9   3.0=100
      HA    CYS   49 - H     ALA   95  far    0    85   0   -  7.9-9.2
      HA    LEU   87 - H     ALA   95  far    0    92   0   -  9.2-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 449 from n15no.peaks (3.99, 7.61, 121.42 ppm; 3.86 A):
    2 out of 3 assignments used, quality = 0.99:
      HA    PHE   92 + H     ALA   95  OK    97    99 100  98  3.5-3.9   3232/2.9=55, 3241=53, 3.6/439=42, 3.0/426=39...(12)
      HA    GLN   91 + H     ALA   95  OK    57    89  68  96  3.7-4.1   435/431=52, 3220/450=44, 1860=37, 3.6/426=35...(9)
      HA    PRO  112 - H     ALA   95  far    0    99   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 450 from n15no.peaks (3.76, 7.61, 121.42 ppm; 3.34 A):
    1 out of 4 assignments used, quality = 0.98:
      HA3   GLY   94 + H     ALA   95  OK    98    99 100  99  2.9-3.1   3.6=82, 3.0/431=54, 4.4/1111=36, 3220/1860=21...(15)
      HA2   GLY   94 - H     ALA   95  far   11    73  15   -  3.4-3.5
      HA    LEU   93 - H     ALA   95  far    0    96   0   -  3.8-4.3
      HA    LEU   62 - H     ALA   95  far    0    89   0   -  8.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 451 from n15no.peaks (3.95, 8.51, 120.96 ppm; 3.54 A):
    1 out of 7 assignments used, quality = 0.93:
      HA    LEU   89 + H     LEU   89  OK    93    93 100 100  2.7-2.8   3.0=100
      HA    GLN   91 - H     LEU   89  far    0    83   0   -  6.5-6.7
      HA    GLN  105 - H     GLN  101  far    0    58   0   -  8.1-8.6
      HA    GLN   82 - H     LEU   89  far    0   100   0   -  8.4-9.1
      QA    GLY  127 - H     GLN  101  far    0    70   0   -  8.6-19.8
      QA    GLY  106 - H     GLN  101  far    0    87   0   -  9.4-9.8
      HA    ALA  115 - H     GLN  101  far    0    78   0   -  9.8-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 452 from n15no.peaks (7.62, 6.93, 119.17 ppm; 3.34 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA   95 + H     LEU   96  OK   100   100 100 100  2.3-2.9   445=100, 1111/3.6=49, 431/432=34, 3361/1185=26...(11)
      HE21  GLN  101 - H     LEU   96  far    2   100   3   -  3.4-4.9
    Violated in 0 structures by 0.00 A.
 
    Peak 453 from n15no.peaks (9.55, 8.50, 120.82 ppm; 4.81 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   99 + H     GLN  101  OK   100   100 100 100  4.0-4.1   224/454=84, 466=80, 3.6/469=69, 3.0/2032=56...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 454 from n15no.peaks (7.37, 8.50, 120.82 ppm; 2.99 A):
    1 out of 4 assignments used, quality = 0.99:
      H     ILE  100 + H     GLN  101  OK    99   100 100 100  2.6-2.6   231=94, 235/1136=44, 1674/1677=25, 237/3493=21...(17)
      H     ARG  103 - H     GLN  101  far    0    97   0   -  4.0-4.3
      QE    PHE   47 - H     LEU   89  far    0    87   0   -  5.0-5.8
      H     GLU   67 - H     LEU   89  far    0    64   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 455 from n15no.peaks (3.77, 7.62, 112.44 ppm; 4.23 A increased from 3.56 A):
    3 out of 4 assignments used, quality = 0.97:
      HA2   GLY   94 + HE21  GLN  101  OK    80    90  90  98  2.4-4.4   3306/1.7=61, ~3302=43, 3340/1198=36, 3307=36...(11)
      HA    LEU   93 + HE21  GLN  101  OK    76    83 100  92  3.0-4.2   2.9/1199=50, 3332/1201=41, 3.9/3291=35, 3260/1202=25...(7)
      HA3   GLY   94 + HE21  GLN  101  OK    34    92  38  98  4.1-5.8   3302/1.7=51, ~3306=50, ~456=42, ~433=36...(11)
      HA    VAL  104 - HE21  GLN  101  far    0    71   0   -  6.9-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 456 from n15no.peaks (3.77, 6.71, 112.45 ppm; 3.73 A):
    2 out of 4 assignments used, quality = 0.90:
      HA2   GLY   94 + HE22  GLN  101  OK    83    90 100  91  1.9-3.5   3306=48, 1.8/3302=39, 3.0/433=36, 3307/1.7=26...(8)
      HA3   GLY   94 + HE22  GLN  101  OK    40    92  48  91  3.6-5.0   1.8/3306=50, 3302=36, 3.0/433=36, ~3307=19...(9)
      HA    LEU   93 - HE22  GLN  101  far    0    83   0   -  4.0-5.7
      HA    VAL  104 - HE22  GLN  101  far    0    71   0   -  8.2-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 457 from n15no.peaks (8.50, 8.08, 118.45 ppm; 3.67 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN  101 + H     ALA  102  OK   100   100 100 100  2.8-3.0   467=99, 3535/1213=48, 3531/1214=44, 1793/2.9=38...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 458 from n15no.peaks (7.36, 8.08, 118.45 ppm; 3.32 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG  103 + H     ALA  102  OK   100   100 100 100  2.5-2.7   230=98, 242/2.9=58, 3522/3.6=31, 3583/1211=23...(18)
      H     ILE  100 - H     ALA  102  far    0   100   0   -  3.9-4.2
    Violated in 0 structures by 0.00 A.
 
    Peak 459 from n15no.peaks (4.50, 6.93, 119.17 ppm; 4.18 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ALA   95 + H     LEU   96  OK   100   100 100 100  2.9-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 460 from n15no.peaks (4.06, 6.93, 119.17 ppm; 3.93 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    LEU   96 + H     LEU   96  OK    99    99 100 100  2.7-2.9   3.0=100
      HA    GLU   90 - H     LEU   96  far    0    76   0   -  7.2-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 461 from n15no.peaks (3.77, 6.93, 119.17 ppm; 3.92 A):
    2 out of 4 assignments used, quality = 0.82:
      HA2   GLY   94 + H     LEU   96  OK    72    90  85  94  3.4-4.2   3.6/445=62, 3.0/432=51, 3340/3.8=37, 6.5=22...(8)
      HA    LEU   93 + H     LEU   96  OK    34    83  43  95  3.2-4.4   3330/1185=47, 3332/1188=45, 3.6/432=45, 1864=30...(8)
      HA3   GLY   94 - H     LEU   96  far    0    92   0   -  4.2-4.6
      HA    LEU   62 - H     LEU   96  far    0    98   0   -  8.8-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 462 from n15no.peaks (3.56, 6.93, 119.17 ppm; 5.50 A increased from 4.86 A):
    1 out of 1 assignment used, quality = 0.50:
      HA    GLN  101 + H     LEU   96  OK    50   100  50 100  5.5-5.8   3521=96, 3331/1188=84, 3509/3.8=83, 3.9/1184=75...(8)
    Violated in 20 structures by 0.15 A.
 
    Peak 463 from n15no.peaks (3.23, 6.93, 119.17 ppm; 4.92 A):
    1 out of 2 assignments used, quality = 1.00:
      HD3   PRO   97 + H     LEU   96  OK   100   100 100 100  4.8-4.8   4.8=100
      HB2   PHE   50 - H     LEU   96  far    0    68   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 464 from n15no.peaks (4.16, 9.55, 117.56 ppm; 3.76 A):
    2 out of 4 assignments used, quality = 1.00:
      HA    GLU   99 + H     GLU   99  OK   100   100 100 100  2.9-2.9   3.0=100
      HA    PRO   98 + H     GLU   99  OK   100   100 100 100  3.5-3.5   3.6=100
      HA    ALA  102 - H     GLU   99  far    0    73   0   -  7.2-7.5
      HA    ARG  103 - H     GLU   99  far    0    68   0   -  8.4-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 465 from n15no.peaks (3.84, 9.55, 117.56 ppm; 4.87 A):
    1 out of 4 assignments used, quality = 0.99:
      HD3   PRO   98 + H     GLU   99  OK    99   100 100  99  3.9-3.9   2.5/1190=81, 5.6=66, 1.8/3444=64, 3398/6.2=35...(9)
      QA    GLY  128 - H     GLU   99  far    3   100   3   -  5.0-22.9
      HD2   PRO   97 - H     GLU   99  far    0    83   0   -  5.7-5.9
      HD2   PRO  126 - H     GLU   99  far    0    90   0   -  8.9-18.7
    Violated in 0 structures by 0.00 A.
 
    Peak 466 from n15no.peaks (8.49, 9.55, 117.56 ppm; 5.18 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLN  101 + H     GLU   99  OK   100   100 100 100  4.0-4.1   453=100, 454/224=91, 469/3.6=77, 2032/3.0=67...(12)
      H     GLY  127 - H     GLU   99  far    0   100   0   -  9.1-21.8
    Violated in 0 structures by 0.00 A.
 
    Peak 467 from n15no.peaks (8.09, 8.50, 120.82 ppm; 3.60 A):
    1 out of 2 assignments used, quality = 0.99:
      H     ALA  102 + H     GLN  101  OK    99    99 100 100  2.8-3.0   457=93, 1213/4.1=44, 1214/4.1=40, 2.9/1793=36...(19)
      H     GLY  106 - H     GLN  101  far    0    78   0   -  8.2-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 468 from n15no.peaks (6.93, 8.50, 120.82 ppm; 5.50 A increased from 4.85 A):
    0 out of 3 assignments used, quality = 0.00:
      H     LEU   96 + H     GLN  101  far    0   100   0   -  5.7-5.9
      QD    PHE   92 + H     LEU   89  far    0    77   0   -  6.4-6.9
      QD    PHE   92 + H     GLN  101  far    0    93   0   -  8.3-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 469 from n15no.peaks (4.16, 8.50, 120.82 ppm; 4.20 A increased from 3.53 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    PRO   98 + H     GLN  101  OK   100   100 100 100  4.0-4.2   3438=94, 3435/454=51, 3437/467=46, 3.6/453=46...(14)
      HA    LEU   86 - H     LEU   89  far    3    51   5   -  4.2-4.7
      HA    GLU   99 - H     GLN  101  far    0    96   0   -  4.9-5.1
      HA    ARG  103 - H     GLN  101  far    0    85   0   -  6.8-7.1
    Violated in 1 structures by 0.00 A.
 
    Peak 470 from n15no.peaks (3.78, 8.50, 120.82 ppm; 4.14 A):
    1 out of 12 assignments used, quality = 0.47:
      HD3   PRO  112 + H     LEU   89  OK    47    51 100  92  3.5-4.2   2.3/3811=55, 411/404=34, 2.3/3813=33, 3758/4.0=25...(7)
      HA    LEU   84 - H     LEU   89  far    0    74   0   -  5.7-6.2
      HA    LEU   93 - H     GLN  101  far    0    65   0   -  6.2-7.0
      HA    LEU   62 - H     LEU   89  far    0    87   0   -  6.7-8.1
      HA    ARG   66 - H     LEU   89  far    0    64   0   -  6.8-7.9
      HA    VAL  104 - H     GLN  101  far    0    87   0   -  7.3-7.5
      HA2   GLY   94 - H     GLN  101  far    0    98   0   -  7.3-7.7
      HA    LEU   93 - H     LEU   89  far    0    51   0   -  8.2-8.8
      HA    GLU  113 - H     LEU   89  far    0    68   0   -  8.3-8.9
      HA3   GLY   94 - H     LEU   89  far    0    62   0   -  8.6-9.3
      HA3   GLY   94 - H     GLN  101  far    0    78   0   -  8.9-9.3
      HA2   GLY   94 - H     LEU   89  far    0    83   0   -  9.6-10.3
    Violated in 2 structures by 0.00 A.
 
    Peak 471 from n15no.peaks (3.56, 8.50, 120.82 ppm; 3.53 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLN  101 + H     GLN  101  OK   100   100 100 100  2.7-2.7   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 473 from n15no.peaks (3.10, 8.51, 120.96 ppm; 5.43 A increased from 5.11 A):
    1 out of 3 assignments used, quality = 0.99:
      HB2   PHE   92 + H     LEU   89  OK    99   100 100  99  5.0-5.5   3168/3.0=91, 3185/3198=64, 3238/1133=52, ~3192=51
      HA    CYS   69 - H     LEU   89  far    0    90   0   -  8.6-9.8
      HD2   ARG   66 - H     LEU   89  far    0    97   0   -  9.6-12.1
    Violated in 1 structures by 0.00 A.
 
    Peak 474 from n15no.peaks (4.00, 8.50, 120.82 ppm; 3.77 A increased from 3.55 A):
    1 out of 6 assignments used, quality = 0.98:
      HA    ILE  100 + H     GLN  101  OK    98    98 100 100  3.6-3.6   3.6=100
      HA    PRO  112 - H     LEU   89  far    0    62   0   -  4.7-5.2
      HA    PHE   92 - H     LEU   89  far    0    83   0   -  7.0-7.4
      HB3   SER  111 - H     LEU   89  far    0    84   0   -  8.1-8.8
      HA    GLN  105 - H     GLN  101  far    0    63   0   -  8.1-8.6
      HA    PHE   92 - H     GLN  101  far    0    98   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 475 from n15no.peaks (3.56, 7.62, 112.44 ppm; 4.54 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLN  101 + HE21  GLN  101  OK   100   100 100 100  2.4-3.8   656/1194=76, 3523=71, 4089/3.4=71, 477/1.7=58...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 476 from n15no.peaks (4.16, 7.62, 112.44 ppm; 4.72 A):
    0 out of 3 assignments used, quality = 0.00:
      HA    PRO   98 + HE21  GLN  101  far    0   100   0   -  6.7-7.3
      HA    ARG  103 + HE21  GLN  101  far    0    85   0   -  8.5-10.2
      HA    GLU   99 + HE21  GLN  101  far    0    96   0   -  9.2-9.9
    Violated in 20 structures by 1.94 A.
 
    Peak 477 from n15no.peaks (3.57, 6.71, 112.45 ppm; 5.28 A increased from 4.97 A):
    1 out of 2 assignments used, quality = 0.96:
      HA    GLN  101 + HE22  GLN  101  OK    96    96 100 100  3.9-5.2   475/1.7=92, 4089/3.4=85, 656/3.4=85, 3.0/1205=84...(14)
      HD3   PRO  109 - HE22  GLN  101  far    0    68   0   -  8.4-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 478 from n15no.peaks (4.16, 6.71, 112.45 ppm; 4.80 A):
    0 out of 3 assignments used, quality = 0.00:
      HA    PRO   98 + HE22  GLN  101  far    0   100   0   -  6.6-7.6
      HA    ARG  103 + HE22  GLN  101  far    0    85   0   -  9.9-11.4
      HA    GLU   99 + HE22  GLN  101  far    0    96   0   -  9.9-10.7
    Violated in 20 structures by 1.99 A.
 
    Peak 479 from n15no.peaks (7.62, 6.71, 112.45 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 1.00:
      HE21  GLN  101 + HE22  GLN  101  OK   100   100 100 100  1.7-1.7   1.7=100
      H     ALA   95 - HE22  GLN  101  far    0    97   0   -  5.0-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 480 from n15no.peaks (6.72, 7.62, 112.44 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 1.00:
      HE22  GLN  101 + HE21  GLN  101  OK   100   100 100 100  1.7-1.7   1.7=100
      HE22  GLN  105 - HE21  GLN  101  far    8    81  10   -  2.4-4.1
    Violated in 0 structures by 0.00 A.
 
    Peak 481 from n15no.peaks (8.50, 7.62, 112.44 ppm; 5.50 A increased from 4.66 A):
    1 out of 3 assignments used, quality = 0.97:
      H     GLN  101 + HE21  GLN  101  OK    97   100  98 100  4.8-5.4   4109/1194=91, 4105/3.4=86, 2.9/475=86, 1135/4.6=76...(19)
      H     ALA  116 - HE21  GLN  101  far    0   100   0   -  9.5-11.3
      H     LEU   89 - HE21  GLN  101  far    0    99   0   - 10.0-11.3
    Violated in 1 structures by 0.02 A.
 
    Peak 482 from n15no.peaks (8.50, 6.71, 112.45 ppm; 5.50 A increased from 5.41 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLN  101 + HE22  GLN  101  far    2   100   3   -  5.5-6.4
    Violated in 20 structures by 0.81 A.
 
    Peak 483 from n15no.peaks (4.74, 8.08, 118.45 ppm; 4.27 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    PRO   97 + H     ALA  102  far    0    68   0   -  6.7-7.0
    Violated in 20 structures by 2.62 A.
 
    Peak 484 from n15no.peaks (4.14, 8.08, 118.45 ppm; 3.20 A):
    1 out of 3 assignments used, quality = 0.98:
      HA    ALA  102 + H     ALA  102  OK    98    98 100 100  2.8-2.9   2.9=100
      HA    PRO   98 - H     ALA  102  far    0    83   0   -  3.6-4.1
      HA    GLU   99 - H     ALA  102  far    0    97   0   -  4.0-4.3
    Violated in 0 structures by 0.00 A.
 
    Peak 485 from n15no.peaks (3.57, 8.08, 118.45 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 0.96:
      HA    GLN  101 + H     ALA  102  OK    96    96 100 100  3.5-3.6   3.6=100
      HD3   PRO  109 - H     ALA  102  far    0    68   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 486 from n15no.peaks (7.37, 7.97, 117.89 ppm; 3.12 A):
    1 out of 4 assignments used, quality = 0.96:
      H     ARG  103 + H     VAL  104  OK    96    97 100  98  2.5-2.7   239/3.6=42, 226=38, 495/637=32, 3568/3569=29...(17)
      H     ILE  100 - H     VAL  104  far    0   100   0   -  5.9-6.3
      H     TRP   72 - H     GLU   41  far    0    62   0   -  7.7-8.6
      HZ2   TRP   72 - H     GLU   41  far    0    85   0   -  8.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 487 from n15no.peaks (7.46, 8.02, 116.42 ppm; 3.75 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLN  107 + H     ARG  108  OK   100   100 100 100  2.2-2.6   491=99, 1232/4.4=41, 529/4.8=27, 7.0/500=15...(7)
      HE21  GLN  107 - H     ARG  108  far   11    73  15   -  3.4-4.6
      H     SER  111 - H     ARG  108  far    0    99   0   -  7.5-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 488 from n15no.peaks (3.80, 6.90, 112.33 ppm; 4.41 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    VAL  104 + HE22  GLN  107  OK   100   100 100 100  1.8-3.2   489/1.7=78, 3588/2.3=66, 3571=57, 3941/3919=44...(14)
      HD2   PRO  126 - HE22  GLN  107  far    0    81   0   -  7.9-17.7
    Violated in 0 structures by 0.00 A.
 
    Peak 489 from n15no.peaks (3.79, 7.49, 112.33 ppm; 4.34 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    VAL  104 + HE21  GLN  107  OK   100   100 100 100  1.9-2.4   488/1.7=75, 3588/2.3=64, 3.0/1238=55, 3573=49...(14)
      HD2   PRO  126 - HE21  GLN  107  far    0    63   0   -  8.7-19.0
    Violated in 0 structures by 0.00 A.
 
    Peak 490 from n15no.peaks (8.07, 7.46, 118.05 ppm; 3.91 A):
    1 out of 2 assignments used, quality = 0.91:
      H     GLY  106 + H     GLN  107  OK    91    99 100  92  2.4-2.7   4.5=64, 5.2/1235=32, 4.5/509=30, 524/528=29...(7)
      H     ALA  102 - H     GLN  107  far    0    99   0   -  8.4-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 491 from n15no.peaks (8.02, 7.46, 118.05 ppm; 3.50 A):
    1 out of 1 assignment used, quality = 0.93:
      H     ARG  108 + H     GLN  107  OK    93    99 100  93  2.2-2.6   487=81, 4.4/1232=35, 4.8/529=23, 500/7.0=12...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 492 from n15no.peaks (7.46, 8.07, 106.66 ppm; 4.86 A):
    2 out of 2 assignments used, quality = 1.00:
      H     GLN  107 + H     GLY  106  OK   100   100 100 100  2.4-2.7   4.5=100
      HE21  GLN  107 + H     GLY  106  OK    65    73  95  94  3.1-4.9   ~503=54, 506/2.5=47, 6.7/490=34, 508/6.0=27...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 493 from n15no.peaks (8.58, 8.07, 106.66 ppm; 5.09 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLN  105 + H     GLY  106  OK    99    99 100 100  2.6-2.8   4.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 494 from n15no.peaks (7.97, 8.58, 118.94 ppm; 3.16 A):
    1 out of 2 assignments used, quality = 1.00:
      H     VAL  104 + H     GLN  105  OK   100   100 100 100  2.5-2.8   637=100, 726/1219=50, 728/3577=35, 486/495=33...(16)
      H     ALA  115 - H     GLN  105  far    0    73   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 495 from n15no.peaks (7.37, 8.58, 118.94 ppm; 4.09 A):
    1 out of 2 assignments used, quality = 0.87:
      H     ARG  103 + H     GLN  105  OK    87    87 100 100  3.8-4.0   486/637=73, 3.6/513=57, 3583/1219=47, 1794/1218=41...(15)
      H     ILE  100 - H     GLN  105  far    0    95   0   -  7.7-7.9
    Violated in 1 structures by 0.00 A.
 
    Peak 496 from n15no.peaks (4.13, 7.26, 110.68 ppm; 4.75 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    ALA  102 + HE21  GLN  105  OK   100   100 100 100  3.6-4.0   1591=92, 1588/2.3=85, 1587/3.8=74, 2.1/1223=61...(10)
      HA    PRO   98 - HE21  GLN  105  far    0    63   0   -  6.8-7.4
      HA    GLU   99 - HE21  GLN  105  far    0    87   0   -  8.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 497 from n15no.peaks (4.14, 6.70, 110.68 ppm; 5.50 A increased from 5.03 A):
    1 out of 3 assignments used, quality = 0.76:
      HA    ALA  102 + HE22  GLN  105  OK    76    98  78 100  5.3-5.6   1588/2.3=95, 496/1.7=92, 1587/3.8=87, ~1223=63...(9)
      HA    PRO   98 - HE22  GLN  105  far    0    83   0   -  7.8-8.7
      HA    GLU   99 - HE22  GLN  105  far    0    97   0   -  9.9-10.5
    Violated in 15 structures by 0.06 A.
 
    Peak 498 from n15no.peaks (4.34, 8.02, 116.42 ppm; 3.90 A):
    2 out of 2 assignments used, quality = 0.98:
      HA    GLN  107 + H     ARG  108  OK    95    95 100 100  3.4-3.6   3.6=100
      HA    ARG  108 + H     ARG  108  OK    71    71 100 100  2.3-2.3   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 499 from n15no.peaks (4.14, 8.02, 116.42 ppm; 3.42 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    ALA  102 + H     ARG  108  far    0    98   0   -  8.0-8.5
    Violated in 20 structures by 4.86 A.
 
    Peak 500 from n15no.peaks (3.99, 8.02, 116.42 ppm; 4.25 A):
    1 out of 3 assignments used, quality = 0.73:
      HA    GLN  105 + H     ARG  108  OK    73    95 100  77  3.3-3.9   3632/4.3=44, 3638/6.2=28, 3637/6.2=28, 7.0/491=22
      HB3   SER  111 - H     ARG  108  far    0    99   0   -  9.6-10.1
      HA    ILE  100 - H     ARG  108  far    0    73   0   -  9.7-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 501 from n15no.peaks (3.64, 8.02, 116.42 ppm; 3.91 A):
    1 out of 1 assignment used, quality = 0.63:
      HD2   PRO  109 + H     ARG  108  OK    63    78 100  81  3.2-3.5   4.8=54, 2.3/1247=35, 3940/1251=14, 3939/1251=14
    Violated in 0 structures by 0.00 A.
 
    Peak 502 from n15no.peaks (3.20, 8.02, 116.42 ppm; 4.85 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 503 from n15no.peaks (3.95, 6.90, 112.33 ppm; 4.76 A):
    1 out of 6 assignments used, quality = 0.91:
      QA    GLY  106 + HE22  GLN  107  OK    91   100  93  99  4.4-5.1   506/1.7=67, ~1232=59, 4.3/504=43, 5.3/512=36...(10)
      HA    ALA  115 - HE22  GLN  107  far    0    95   0   -  5.6-7.6
      QA    GLY  127 - HE22  GLN  107  far    0    87   0   -  5.7-19.3
      HA    GLN  105 - HE22  GLN  107  far    0    73   0   -  6.4-7.1
      QA    GLY  121 - HE22  GLN  107  far    0    65   0   -  7.5-8.5
      HA    ALA  116 - HE22  GLN  107  far    0    71   0   -  8.9-10.8
    Violated in 3 structures by 0.05 A.
 
    Peak 504 from n15no.peaks (4.33, 6.90, 112.33 ppm; 5.50 A increased from 5.04 A):
    1 out of 4 assignments used, quality = 0.84:
      HA    GLN  107 + HE22  GLN  107  OK    84    99  85 100  5.0-5.6   508/1.7=95, 5.6=93, ~1232=68, 4.3/503=66...(7)
      HA    ARG  108 - HE22  GLN  107  far    0    87   0   -  6.2-7.7
      HA    LEU  122 - HE22  GLN  107  far    0    76   0   -  6.3-7.6
      HA    ARG  123 - HE22  GLN  107  far    0    99   0   -  9.4-10.2
    Violated in 3 structures by 0.01 A.
 
    Peak 505 from n15no.peaks (3.21, 7.49, 112.33 ppm; 5.26 A):
    0 out of 2 assignments used, quality = 0.00:
      HD2   ARG   44 + HE21  GLN  407  far    0    63   0   -  9.4-54.1
      QD    ARG  124 + HE21  GLN  107  far    0    97   0   -  9.9-15.3
    Violated in 20 structures by 7.61 A.
 
    Peak 506 from n15no.peaks (3.96, 7.49, 112.33 ppm; 5.25 A increased from 4.66 A):
    1 out of 5 assignments used, quality = 0.99:
      QA    GLY  106 + HE21  GLN  107  OK    99   100 100 100  3.4-5.3   503/1.7=89, ~1232=70, 4.3/508=61, ~3624=34...(10)
      HA    GLN  105 - HE21  GLN  107  far   13    89  15   -  5.1-6.8
      HA    ALA  115 - HE21  GLN  107  far    0    83   0   -  5.9-6.7
      QA    GLY  127 - HE21  GLN  107  far    0    97   0   -  6.9-20.1
      QA    GLY  121 - HE21  GLN  107  far    0    83   0   -  7.3-9.1
    Violated in 1 structures by 0.00 A.
 
    Peak 507 from n15no.peaks (4.18, 7.49, 112.33 ppm; 5.43 A increased from 4.83 A):
    2 out of 2 assignments used, quality = 0.96:
      HA    ARG  103 + HE21  GLN  107  OK    82   100  95  87  4.3-5.5   5.4/489=57, 6.6/1238=41, 4.9/1240=31, ~1243=22
      HA    LEU  118 + HE21  GLN  107  OK    79    99  83  97  5.1-6.8   3.0/1239=78, 530/3915=77, 3.8/3920=40
    Violated in 0 structures by 0.00 A.
 
    Peak 508 from n15no.peaks (4.33, 7.49, 112.33 ppm; 4.79 A increased from 4.50 A):
    1 out of 4 assignments used, quality = 0.97:
      HA    GLN  107 + HE21  GLN  107  OK    97    99 100  98  3.7-4.5   504/1.7=62, 5.6=61, ~1232=53, 4.3/506=46...(8)
      HA    ARG  108 - HE21  GLN  107  far    0    87   0   -  5.4-6.6
      HA    LEU  122 - HE21  GLN  107  far    0    76   0   -  7.1-8.7
      HA    ARG  123 - HE21  GLN  107  far    0    99   0   -  9.9-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 509 from n15no.peaks (8.58, 7.46, 118.05 ppm; 5.04 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLN  105 + H     GLN  107  OK    99    99 100 100  4.2-4.5   3.6/1235=77, 3.6/528=74, 4.5/490=65, 1216/6.8=40...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 510 from n15no.peaks (7.49, 6.90, 112.33 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 0.99:
      HE21  GLN  107 + HE22  GLN  107  OK    99    99 100 100  1.7-1.7   1.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 511 from n15no.peaks (6.90, 7.49, 112.33 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 1.00:
      HE22  GLN  107 + HE21  GLN  107  OK   100   100 100 100  1.7-1.7   1.7=100
      QD    PHE   92 - HE21  GLN  107  far    0    90   0   -  9.3-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 512 from n15no.peaks (8.56, 6.90, 112.33 ppm; 5.50 A increased from 4.91 A):
    1 out of 1 assignment used, quality = 0.90:
      H     GLN  105 + HE22  GLN  107  OK    90    92 100  97  5.1-5.5   3.6/488=80, 5.3/503=55, 4.4/1243=37, 3.6/3579=28...(6)
    Violated in 1 structures by 0.00 A.
 
    Peak 513 from n15no.peaks (4.14, 8.58, 118.94 ppm; 3.82 A):
    1 out of 3 assignments used, quality = 0.98:
      HA    ALA  102 + H     GLN  105  OK    98    98 100 100  3.5-3.8   1594=69, 1587/1216=63, 3.6/495=46, 2.1/1218=42...(12)
      HA    PRO   98 - H     GLN  105  far    0    83   0   -  8.1-8.6
      HA    GLU   99 - H     GLN  105  far    0    97   0   -  8.3-8.5
    Violated in 2 structures by 0.00 A.
 
    Peak 514 from n15no.peaks (3.98, 8.58, 118.94 ppm; 3.30 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    GLN  105 + H     GLN  105  OK   100   100 100 100  2.7-2.8   3.0=100
      QA    GLY  106 - H     GLN  105  far    0    65   0   -  4.5-4.7
      QA    GLY  127 - H     GLN  105  far    0    97   0   -  9.5-21.6
    Violated in 0 structures by 0.00 A.
 
    Peak 515 from n15no.peaks (3.80, 8.58, 118.94 ppm; 3.80 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    VAL  104 + H     GLN  105  OK   100   100 100 100  3.5-3.5   3.6=100
      HA2   GLY   94 - H     GLN  105  far    0    95   0   -  8.8-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 516 from n15no.peaks (3.58, 8.58, 118.94 ppm; 4.31 A):
    1 out of 2 assignments used, quality = 0.83:
      HA    GLN  101 + H     GLN  105  OK    83    85 100  98  3.8-4.3   738/637=66, 244/495=39, 5.4/513=39, 3597/1219=38...(7)
      HD3   PRO  109 - H     GLN  105  far    0    85   0   -  5.3-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 517 from n15no.peaks (3.99, 7.26, 110.68 ppm; 4.94 A):
    1 out of 2 assignments used, quality = 0.83:
      HA    GLN  105 + HE21  GLN  105  OK    83    83 100 100  2.9-4.0   5.2=87, 460/2.3=82, ~3605=53, ~1215=52...(6)
      HA    ILE  100 - HE21  GLN  105  far    0    89   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 518 from n15no.peaks (3.70, 7.26, 110.68 ppm; 5.43 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 519 from n15no.peaks (3.14, 7.26, 110.68 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.78:
      HD3   ARG  108 + HE21  GLN  105  OK    78    99 100  79  5.2-5.5   3637/517=67, 3640/7.3=36
    Violated in 14 structures by 0.02 A.
 
    Peak 520 from n15no.peaks (3.99, 6.70, 110.68 ppm; 5.50 A):
    1 out of 4 assignments used, quality = 0.95:
      HA    GLN  105 + HE22  GLN  105  OK    95    95 100 100  3.3-4.0   5.2=100
      HA    ILE  100 - HE22  GLN  105  far    0    73   0   -  8.0-8.5
      HA    PRO  112 - HE22  GLN  105  far    0    99   0   -  9.2-10.2
      HA    PHE   92 - HE22  GLN  105  far    0    99   0   - 10.0-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 521 from n15no.peaks (3.74, 6.70, 110.68 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 0.83:
      HA    LEU   93 + HE22  GLN  105  OK    83    97  93  92  5.3-5.6   881/1231=73, 3.9/1230=71
      HA3   GLY   94 - HE22  GLN  105  far    0    92   0   -  7.0-7.9
    Violated in 17 structures by 0.04 A.
 
    Peak 522 from n15no.peaks (4.14, 8.07, 106.66 ppm; 5.42 A increased from 5.10 A):
    1 out of 2 assignments used, quality = 0.98:
      HA    ALA  102 + H     GLY  106  OK    98    98 100 100  4.9-5.2   1587/4.0=83, 513/4.5=74, 1588/4.3=71, 1586/5.2=56...(7)
      HA    GLU   99 - H     GLY  106  far    0    97   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 523 from n15no.peaks (3.97, 8.07, 106.66 ppm; 3.80 A):
    2 out of 3 assignments used, quality = 1.00:
      HA    GLN  105 + H     GLY  106  OK   100   100 100 100  3.4-3.5   3.6=100
      QA    GLY  106 + H     GLY  106  OK    83    83 100 100  2.2-2.2   2.5=100
      QA    GLY  127 - H     GLY  106  far    0   100   0   -  8.7-22.0
    Violated in 0 structures by 0.00 A.
 
    Peak 524 from n15no.peaks (3.82, 8.07, 106.66 ppm; 5.39 A):
    1 out of 2 assignments used, quality = 0.82:
      HA    VAL  104 + H     GLY  106  OK    82    85 100  97  3.7-3.9   528/490=76, 6.9=47, 3588/6.7=34, ~3609=33...(6)
      QA    GLY  128 - H     GLY  106  far    0    78   0   -  8.9-23.2
    Violated in 0 structures by 0.00 A.
 
    Peak 525 from n15no.peaks (4.34, 7.46, 118.05 ppm; 3.43 A):
    1 out of 2 assignments used, quality = 0.95:
      HA    GLN  107 + H     GLN  107  OK    95    95 100 100  2.8-2.9   2.9=100
      HA    ARG  108 - H     GLN  107  far    0    71   0   -  4.4-4.8
    Violated in 0 structures by 0.00 A.
 
    Peak 526 from n15no.peaks (4.13, 7.46, 118.05 ppm; 4.07 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    ALA  102 + H     GLN  107  far    0    99   0   -  7.1-7.7
    Violated in 20 structures by 3.33 A.
 
    Peak 527 from n15no.peaks (3.97, 7.46, 118.05 ppm; 3.42 A):
    1 out of 3 assignments used, quality = 0.83:
      QA    GLY  106 + H     GLN  107  OK    83    83 100 100  2.7-2.8   2.5=100
      HA    GLN  105 - H     GLN  107  far    0   100   0   -  4.0-4.6
      QA    GLY  127 - H     GLN  107  far    0   100   0   -  8.4-22.3
    Violated in 0 structures by 0.00 A.
 
    Peak 528 from n15no.peaks (3.82, 7.46, 118.05 ppm; 4.15 A):
    1 out of 3 assignments used, quality = 0.83:
      HA    VAL  104 + H     GLN  107  OK    83    85 100  98  3.0-3.6   2.3/1235=73, 3.6/509=41, 3588/1232=40, 524/490=35...(10)
      QA    GLY  128 - H     GLN  107  far    0    78   0   -  8.2-23.4
      HA3   GLY  110 - H     GLN  107  far    0   100   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 529 from n15no.peaks (3.61, 7.46, 118.05 ppm; 4.84 A increased from 4.30 A):
    1 out of 1 assignment used, quality = 0.93:
      HD3   PRO  109 + H     GLN  107  OK    93    97 100  95  4.4-4.7   4.8/491=61, 3616/3.2=60, 1.8/3707=27, 3708=24...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 530 from n15no.peaks (3.23, 7.46, 118.05 ppm; 5.50 A increased from 5.32 A):
    1 out of 2 assignments used, quality = 0.70:
      QD    ARG  103 + H     GLN  107  OK    70    87 100  81  4.7-5.5   6.1/1235=53, 7.2/528=39, 7.6/509=32
      QD    ARG   46 - H     GLN  407  far    0    63   0   -  8.6-32.3
    Violated in 10 structures by 0.01 A.
 
    Peak 531 from n15no.peaks (7.91, 7.83, 119.62 ppm; 2.86 A):
    1 out of 2 assignments used, quality = 0.89:
      H     VAL  119 + H     LEU  118  OK    89   100 100  89  2.6-2.8   1313/3921=28, 1311/3.9=26, 4.6=23, 1310/3.9=21...(14)
      H     VAL  119 - H     ARG  123  far    0    46   0   -  5.9-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 532 from n15no.peaks (8.39, 7.90, 119.43 ppm; 3.33 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ASP  120 + H     VAL  119  OK   100   100 100 100  2.6-2.9   599=100, 807/1312=38, 806/3979=35, 3968/3967=33...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 533 from n15no.peaks (8.51, 7.76, 120.22 ppm; 3.14 A):
    1 out of 2 assignments used, quality = 0.99:
      H     ALA  116 + H     ALA  117  OK    99   100 100  99  2.5-2.6   631=85, 1662/1294=52, 1693/1695=34, 982/1295=26...(16)
      H     GLN   59 - H     ALA  117  far    0    85   0   -  6.7-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 534 from n15no.peaks (7.83, 7.95, 121.30 ppm; 2.92 A):
    1 out of 2 assignments used, quality = 0.94:
      H     GLU  114 + H     ALA  115  OK    94   100 100  94  2.7-2.8   1277/1282=43, 4.6=25, 1689/2.9=24, 535/543=23...(14)
      H     LEU  118 - H     ALA  115  far    0   100   0   -  5.1-5.2
    Violated in 0 structures by 0.00 A.
 
    Peak 535 from n15no.peaks (8.92, 7.83, 120.84 ppm; 3.31 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU  113 + H     GLU  114  OK    99    99 100 100  2.5-2.7   536=86, 1269/1280=35, 543/534=34, 4.0/3828=32...(20)
      H     GLY  110 - H     GLU  114  far    0   100   0   -  6.4-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 536 from n15no.peaks (7.83, 8.93, 117.42 ppm; 3.47 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU  114 + H     GLU  113  OK   100   100 100 100  2.5-2.7   535=99, 1280/1269=39, 534/543=38, 3828/3829=36...(21)
      H     LEU  118 - H     GLU  113  far    0   100   0   -  8.5-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 537 from n15no.peaks (8.92, 7.45, 111.47 ppm; 3.28 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLY  110 + H     SER  111  OK    99   100 100  99  2.5-2.6   538=81, 3.9/1261=32, 3.6/553=31, 559/2.9=25...(18)
      H     GLU  113 - H     SER  111  far    0    99   0   -  5.2-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 538 from n15no.peaks (7.45, 8.92, 107.40 ppm; 3.51 A):
    1 out of 2 assignments used, quality = 0.99:
      H     SER  111 + H     GLY  110  OK    99    99 100 100  2.5-2.6   537=99, 1261/3.9=37, 553/3.6=35, 2.9/559=29...(18)
      H     GLN  107 - H     GLY  110  far    0    92   0   -  7.7-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 539 from n15no.peaks (7.82, 8.92, 107.40 ppm; 5.09 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLU  114 + H     GLY  110  far    0   100   0   -  6.4-6.7
      H     LEU  118 + H     GLY  110  far    0    98   0   -  8.6-8.9
    Violated in 20 structures by 1.24 A.
 
    Peak 540 from n15no.peaks (7.93, 8.92, 107.40 ppm; 5.48 A increased from 5.16 A):
    1 out of 1 assignment used, quality = 0.94:
      H     ALA  115 + H     GLY  110  OK    94    95 100 100  4.9-5.4   566/537=84, 1283/3.9=82, 573/3.6=60, 3704/3.9=58...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 541 from n15no.peaks (7.83, 7.45, 111.47 ppm; 4.50 A increased from 4.00 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU  114 + H     SER  111  OK   100   100 100 100  4.1-4.4   563=100, 534/566=74, 3.4/3857=73, 3869/1259=60...(12)
      H     LEU  118 - H     SER  111  far    0   100   0   -  8.1-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 542 from n15no.peaks (7.94, 7.45, 111.47 ppm; 4.17 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA  115 + H     SER  111  OK   100   100 100 100  3.5-3.9   566=100, 1282/3857=68, 1284/1263=57, 534/563=57...(16)
      H     GLN   91 - H     SER  111  far    0    73   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 543 from n15no.peaks (7.94, 8.93, 117.42 ppm; 4.47 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA  115 + H     GLU  113  OK   100   100 100 100  4.2-4.5   564=87, 534/535=83, 3804/3.6=55, 567/2.9=53...(18)
      H     GLN   91 - H     GLU  113  far    0    73   0   -  9.2-9.8
    Violated in 6 structures by 0.01 A.
 
    Peak 544 from n15no.peaks (8.51, 8.93, 117.42 ppm; 5.19 A increased from 4.88 A):
    1 out of 3 assignments used, quality = 1.00:
      H     ALA  116 + H     GLU  113  OK   100   100 100 100  4.7-4.9   634=100, 975/2.9=90, 565/543=77, 1662/1663=72...(15)
      H     LEU   89 - H     GLU  113  far    0   100   0   -  6.5-7.0
      H     GLN   59 - H     GLU  113  far    0    85   0   -  9.4-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 545 from n15no.peaks (5.02, 8.93, 117.42 ppm; 4.55 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    SER  111 + H     GLU  113  OK   100   100 100 100  4.2-4.6   2.9/550=75, 3732/549=68, 2.9/3725=63, 572/535=51...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 547 from n15no.peaks (3.80, 8.93, 117.42 ppm; 3.30 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    GLU  113 + H     GLU  113  OK   100   100 100 100  2.8-2.9   2.9=100
      HD3   PRO  112 - H     GLU  113  far    0   100   0   -  3.8-3.9
      HA    LEU   62 - H     GLU  113  far    0    83   0   -  6.8-7.4
      HA3   GLY  110 - H     GLU  113  far    0    87   0   -  8.0-8.4
      HA    ARG   66 - H     GLU  113  far    0   100   0   -  8.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 548 from n15no.peaks (3.98, 8.93, 117.42 ppm; 3.86 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    PRO  112 + H     GLU  113  OK   100   100 100 100  3.5-3.6   3.6=100
      HB3   SER  111 - H     GLU  113  far    0    92   0   -  4.0-4.6
      HA    GLN   59 - H     GLU  113  far    0    76   0   -  7.2-8.3
      HA    GLN   82 - H     GLU  113  far    0    68   0   -  8.4-9.8
      HA    PHE   92 - H     GLU  113  far    0    93   0   -  8.9-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 549 from n15no.peaks (4.13, 8.93, 117.42 ppm; 3.77 A):
    1 out of 2 assignments used, quality = 0.98:
      HD2   PRO  112 + H     GLU  113  OK    98    99 100  99  2.6-2.7   2.3/3814=44, 3771/1268=43, 3815=42, 3763/550=40...(14)
      HA    ALA   63 - H     GLU  113  far    0    71   0   -  8.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 550 from n15no.peaks (4.31, 8.93, 117.42 ppm; 3.95 A):
    1 out of 1 assignment used, quality = 0.86:
      HB2   SER  111 + H     GLU  113  OK    86   100  88  99  2.6-4.1   3736=69, 1.8/3725=56, 2.9/545=49, 3763/549=46...(10)
    Violated in 2 structures by 0.01 A.
 
    Peak 551 from n15no.peaks (5.02, 7.45, 111.47 ppm; 3.72 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    SER  111 + H     SER  111  OK   100   100 100 100  2.9-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 553 from n15no.peaks (4.47, 7.45, 111.47 ppm; 4.35 A increased from 3.87 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    PRO  109 + H     SER  111  OK    97    97 100 100  4.0-4.1   2.3/1261=81, 3.6/537=72, 473/3857=62, 2.3/3702=58...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 554 from n15no.peaks (4.31, 7.45, 111.47 ppm; 3.70 A):
    1 out of 3 assignments used, quality = 0.91:
      HB2   SER  111 + H     SER  111  OK    91   100  93  99  3.6-3.8   4.0=81, 1.8/557=69, 3734/4.8=32, 3728/4.8=32...(8)
      HA    ARG  108 - H     SER  111  far    0   100   0   -  6.1-6.3
      HA    GLN  107 - H     SER  111  far    0    90   0   -  9.8-10.1
    Violated in 3 structures by 0.01 A.
 
    Peak 555 from n15no.peaks (4.08, 7.45, 111.47 ppm; 4.10 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    GLU  114 + H     SER  111  far    0   100   0   -  5.6-5.9
      HA    GLU   85 + H     SER  111  far    0    98   0   -  7.7-8.8
    Violated in 20 structures by 1.55 A.
 
    Peak 557 from n15no.peaks (3.99, 7.45, 111.47 ppm; 3.86 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   SER  111 + H     SER  111  OK   100   100 100 100  2.6-2.8   4.0=92, 1.8/554=79, 3722/3.5=41, 3739/1261=35...(9)
      HA    PRO  112 - H     SER  111  far    0    93   0   -  5.0-5.1
      HA    GLN  105 - H     SER  111  far    0    83   0   -  8.8-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 558 from n15no.peaks (3.82, 7.45, 111.47 ppm; 3.63 A):
    1 out of 4 assignments used, quality = 1.00:
      HA3   GLY  110 + H     SER  111  OK   100   100 100 100  3.2-3.3   3.5=100
      HD3   PRO  112 - H     SER  111  far    0    97   0   -  4.9-5.0
      HA    GLU  113 - H     SER  111  far    0    87   0   -  7.3-7.5
      HA    VAL  104 - H     SER  111  far    0    85   0   -  8.8-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 559 from n15no.peaks (5.00, 8.92, 107.40 ppm; 5.17 A):
    1 out of 1 assignment used, quality = 0.90:
      HA    SER  111 + H     GLY  110  OK    90    90 100 100  4.9-5.0   2.9/537=96, 5.7=74, ~3722=44, 3737/1258=35...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 560 from n15no.peaks (4.47, 8.92, 107.40 ppm; 3.64 A increased from 3.06 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    PRO  109 + H     GLY  110  OK    97    97 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 561 from n15no.peaks (4.30, 8.92, 107.40 ppm; 3.44 A):
    1 out of 3 assignments used, quality = 0.90:
      HA2   GLY  110 + H     GLY  110  OK    90    90 100 100  2.3-2.4   3.0=100
      HA    ARG  108 - H     GLY  110  far    0    85   0   -  3.6-3.9
      HB2   SER  111 - H     GLY  110  far    0    95   0   -  5.9-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 562 from n15no.peaks (3.82, 8.92, 107.40 ppm; 3.29 A):
    1 out of 4 assignments used, quality = 1.00:
      HA3   GLY  110 + H     GLY  110  OK   100   100 100 100  2.9-2.9   3.0=100
      HD3   PRO  112 - H     GLY  110  far    0    97   0   -  6.7-7.0
      HA    VAL  104 - H     GLY  110  far    0    85   0   -  7.4-7.9
      HA    GLU  113 - H     GLY  110  far    0    87   0   -  9.3-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 563 from n15no.peaks (7.46, 7.83, 120.84 ppm; 4.41 A increased from 3.92 A):
    1 out of 1 assignment used, quality = 1.00:
      H     SER  111 + H     GLU  114  OK   100   100 100 100  4.1-4.4   541=94, 566/534=71, 3857/3.4=71, 1259/3869=57...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 564 from n15no.peaks (8.93, 7.95, 121.30 ppm; 4.67 A increased from 4.15 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU  113 + H     ALA  115  OK   100   100 100 100  4.2-4.5   543=100, 536/534=86, 3.6/3804=62, 2.9/567=58...(18)
      H     GLY  110 - H     ALA  115  far    0    97   0   -  4.9-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 565 from n15no.peaks (8.51, 7.95, 121.30 ppm; 3.19 A):
    1 out of 3 assignments used, quality = 1.00:
      H     ALA  116 + H     ALA  115  OK   100   100 100 100  2.7-2.7   630=87, 982/2.9=50, 3874/3.6=32, 2.9/1285=31...(17)
      H     LEU   89 - H     ALA  115  far    0   100   0   -  8.3-8.8
      H     GLN   59 - H     ALA  115  far    0    85   0   -  9.4-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 566 from n15no.peaks (7.46, 7.95, 121.30 ppm; 3.98 A):
    1 out of 2 assignments used, quality = 1.00:
      H     SER  111 + H     ALA  115  OK   100   100 100 100  3.5-3.9   542=86, 3857/1282=63, 563/534=52, 1263/1284=52...(16)
      H     GLN  107 - H     ALA  115  far    0    99   0   -  9.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 567 from n15no.peaks (3.80, 7.95, 121.30 ppm; 5.09 A increased from 4.07 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    GLU  113 + H     ALA  115  OK   100   100 100 100  4.7-4.9   3.6/534=92, 2.9/543=78, 2446/565=78, 3842/1285=72...(16)
      HD3   PRO  112 - H     ALA  115  far    0   100   0   -  5.9-6.1
      HA3   GLY  110 - H     ALA  115  far    0    87   0   -  6.7-7.0
      HA    VAL  104 - H     ALA  115  far    0   100   0   -  7.5-8.3
      HA    LEU   62 - H     ALA  115  far    0    83   0   -  9.0-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 568 from n15no.peaks (4.09, 7.95, 121.30 ppm; 3.57 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    GLU  114 + H     ALA  115  OK   100   100 100 100  3.6-3.6   3.6=100
      HA    GLU   85 - H     ALA  115  far    0    90   0   -  8.5-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 569 from n15no.peaks (3.95, 7.95, 121.30 ppm; 3.19 A):
    1 out of 5 assignments used, quality = 0.95:
      HA    ALA  115 + H     ALA  115  OK    95    95 100 100  2.8-2.8   2.9=100
      HA    ALA  116 - H     ALA  115  far    0    71   0   -  5.3-5.3
      HA    LEU   89 - H     ALA  115  far    0    93   0   -  5.9-6.4
      HA    GLN   59 - H     ALA  115  far    0    99   0   -  8.3-9.2
      HA    GLN  105 - H     ALA  115  far    0    73   0   -  9.5-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 570 from n15no.peaks (4.10, 7.83, 120.84 ppm; 3.23 A):
    1 out of 2 assignments used, quality = 0.97:
      HA    GLU  114 + H     GLU  114  OK    97    97 100 100  2.8-2.8   3.0=100
      HA    GLU   85 - H     GLU  114  far    0    73   0   -  7.4-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 571 from n15no.peaks (3.79, 7.83, 120.84 ppm; 3.93 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    GLU  113 + H     GLU  114  OK   100   100 100 100  3.5-3.5   3.6=100
      HD3   PRO  112 - H     GLU  114  far    0    96   0   -  5.2-5.4
      HA3   GLY  110 - H     GLU  114  far    0    71   0   -  7.0-7.3
      HA    LEU   62 - H     GLU  114  far    0    95   0   -  8.8-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 572 from n15no.peaks (5.02, 7.83, 120.84 ppm; 5.14 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    SER  111 + H     GLU  114  OK   100   100 100 100  4.6-4.8   2.9/563=80, 545/535=73, 4.8/3803=47, ~3857=45...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 573 from n15no.peaks (4.47, 7.95, 121.30 ppm; 5.50 A increased from 4.43 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO  109 + H     ALA  115  OK   100   100 100 100  5.0-5.3   2.3/1283=100, 2.3/3704=94, 473/1282=93, 553/566=74...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 574 from n15no.peaks (7.84, 7.76, 120.22 ppm; 2.68 A increased from 2.52 A):
    1 out of 2 assignments used, quality = 0.81:
      H     LEU  118 + H     ALA  117  OK    81   100 100  82  2.6-2.7   1694/1695=43, 4.5=21, 1305/1297=19, 3912/1293=19...(10)
      H     GLU  114 - H     ALA  117  far    0    98   0   -  4.8-5.1
    Violated in 0 structures by 0.00 A.
 
    Peak 575 from n15no.peaks (3.82, 7.76, 120.22 ppm; 5.05 A increased from 4.25 A):
    1 out of 5 assignments used, quality = 0.71:
      HA    GLU  113 + H     ALA  117  OK    71    71 100 100  4.8-5.0   1623/1294=91, 975/533=85, 5.4/577=56, 5.3/1292=46...(7)
      HD3   PRO   58 - H     ALA  117  far    0    99   0   -  7.7-8.0
      HA    VAL  104 - H     ALA  117  far    0    68   0   -  8.3-9.0
      HD3   PRO  112 - H     ALA  117  far    0    89   0   -  9.4-9.7
      QA    GLY  128 - H     ALA  117  far    0    92   0   -  9.8-22.6
    Violated in 0 structures by 0.00 A.
 
    Peak 576 from n15no.peaks (3.91, 7.76, 120.22 ppm; 3.76 A):
    1 out of 3 assignments used, quality = 0.96:
      HA    ALA  116 + H     ALA  117  OK    96    96 100 100  3.5-3.5   3.6=100
      HA    ALA  115 - H     ALA  117  far    0    73   0   -  3.9-4.0
      HA    LEU   89 - H     ALA  117  far    0    76   0   -  9.3-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 577 from n15no.peaks (4.11, 7.76, 120.22 ppm; 3.70 A):
    1 out of 3 assignments used, quality = 0.69:
      HA    GLU  114 + H     ALA  117  OK    69    73 100  94  3.3-3.5   2062/1296=61, 2.5/1292=41, 3874/533=35, 5.0/1295=26...(7)
      HD2   PRO   58 - H     ALA  117  far    0    83   0   -  7.7-8.0
      HD2   PRO  112 - H     ALA  117  far    0    78   0   -  8.7-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 578 from n15no.peaks (4.23, 7.76, 120.22 ppm; 3.14 A):
    1 out of 1 assignment used, quality = 0.96:
      HA    ALA  117 + H     ALA  117  OK    96    96 100 100  2.8-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 579 from n15no.peaks (8.44, 7.88, 121.03 ppm; 4.24 A):
    1 out of 1 assignment used, quality = 0.80:
      H     ARG   44 + H     ALA   42  OK    80    87  98  95  3.7-4.3   160/3.6=61, 121/4.7=49, 716/5.8=36, 5.9/700=35...(7)
    Violated in 1 structures by 0.01 A.
 
    Peak 580 from n15no.peaks (4.05, 7.88, 121.03 ppm; 3.18 A):
    1 out of 4 assignments used, quality = 0.99:
      HA    ALA   42 + H     ALA   42  OK    99    99 100 100  2.8-2.9   3.0=100
      HA3   GLY   39 - H     ALA   42  far    0    97   0   -  3.3-4.8
      HA    ALA   43 - H     ALA   42  far    0   100   0   -  5.0-5.4
      HA    LEU   68 - H     ALA   42  far    0    92   0   -  9.1-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 582 from n15no.peaks (7.06, 7.90, 119.43 ppm; 4.92 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    PHE   92 + H     VAL  119  OK    99    99 100 100  4.2-4.9   3973/1312=86, 2.2/627=68, 131=67, 3977/3979=61...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 583 from n15no.peaks (3.48, 7.90, 119.43 ppm; 3.42 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    VAL  119 + H     VAL  119  OK   100   100 100 100  2.8-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 584 from n15no.peaks (3.94, 7.90, 119.43 ppm; 4.05 A increased from 3.60 A):
    2 out of 5 assignments used, quality = 0.99:
      HA    ALA  115 + H     VAL  119  OK    94    99  98  96  3.9-4.1   586/531=67, 3942/1313=64, 3937/4.9=39, 3888/5.3=34...(6)
      HA    ALA  116 + H     VAL  119  OK    83    87 100  95  3.6-3.9   3959/1312=43, 3960/3967=38, 624/599=29, 3892/627=29...(11)
      HA    GLN   59 - H     VAL  119  far    0    95   0   -  8.5-9.2
      QA    GLY  127 - H     VAL  119  far    0    71   0   -  8.8-18.6
      QA    GLY  106 - H     VAL  119  far    0    98   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 585 from n15no.peaks (4.21, 7.90, 119.43 ppm; 3.74 A):
    1 out of 3 assignments used, quality = 0.92:
      HA    LEU  118 + H     VAL  119  OK    92    92 100 100  3.5-3.6   3.6=100
      HA    ARG  103 - H     VAL  119  far    0    71   0   -  9.3-9.9
      HA3   GLY   57 - H     VAL  119  far    0   100   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 586 from n15no.peaks (3.94, 7.83, 119.62 ppm; 3.72 A):
    1 out of 7 assignments used, quality = 0.98:
      HA    ALA  115 + H     LEU  118  OK    98    99 100  99  3.5-3.6   3895=81, 3942/3921=52, 3937/1305=49, 3888/3912=42...(9)
      HA    ALA  116 - H     LEU  118  far    0    87   0   -  4.8-4.9
      QA    GLY  127 - H     ARG  123  far    0    27   0   -  6.4-13.4
      QA    GLY  127 - H     LEU  118  far    0    71   0   -  8.5-20.3
      HA    ALA  116 - H     ARG  123  far    0    35   0   -  8.5-8.9
      HA    GLN   59 - H     LEU  118  far    0    95   0   -  9.0-9.4
      HA    ALA  115 - H     ARG  123  far    0    45   0   -  9.8-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 587 from n15no.peaks (4.44, 8.49, 109.93 ppm; 4.78 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    PRO  126 + H     GLY  127  OK    99    99 100 100  2.2-3.6   3.6=100
      HA    GLU   41 - H     GLY  427  far    0    76   0   -  7.2-49.1
      HA2   GLY   57 - H     GLY  127  far    0    83   0   -  8.2-19.9
    Violated in 0 structures by 0.00 A.
 
    Peak 588 from n15no.peaks (3.98, 8.49, 109.93 ppm; 4.99 A):
    1 out of 2 assignments used, quality = 0.97:
      QA    GLY  127 + H     GLY  127  OK    97    97 100 100  2.2-2.5   2.5=100
      QA    GLY  121 - H     GLY  127  far    0   100   0   -  5.2-13.9
    Violated in 0 structures by 0.00 A.
 
    Peak 589 from n15no.peaks (8.01, 8.25, 123.25 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ARG  124 + H     GLU  125  OK    97    99 100  97  1.9-3.9   2.9/605=68, 590=68, 1339/4.5=37, 1338/4.4=34...(8)
    Violated in 2 structures by 0.00 A.
 
    Peak 590 from n15no.peaks (8.25, 8.00, 120.99 ppm; 4.38 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU  125 + H     ARG  124  OK   100   100 100 100  1.9-3.9   589=99, 605/2.9=82, 4.5/1339=48, 4.4/1338=44...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 591 from n15no.peaks (7.82, 8.00, 120.99 ppm; 4.08 A increased from 3.63 A):
    1 out of 2 assignments used, quality = 0.81:
      H     ARG  123 + H     ARG  124  OK    81    96  85 100  1.9-4.4   609=95, 1300/4.0=37, 1302/1340=36, 3565/5.2=35...(15)
      H     LEU  118 - H     ARG  124  far    0    89   0   -  9.0-12.2
    Violated in 5 structures by 0.06 A.
 
    Peak 592 from n15no.peaks (7.97, 7.64, 120.60 ppm; 3.20 A):
    1 out of 3 assignments used, quality = 0.98:
      H     GLY  121 + H     LEU  122  OK    98   100 100  99  2.4-2.6   617=82, 1318/1324=30, 597/594=29, 621/616=25...(14)
      H     VAL  104 - H     LEU  122  far    0   100   0   -  7.8-8.5
      H     GLU   41 - H     LEU  422  far    0    99   0   -  8.3-48.2
    Violated in 0 structures by 0.00 A.
 
    Peak 593 from n15no.peaks (7.82, 7.64, 120.60 ppm; 3.08 A):
    1 out of 2 assignments used, quality = 0.93:
      H     ARG  123 + H     LEU  122  OK    93    96 100  98  2.4-2.6   603=75, 3985/3.0=34, 3989/1324=29, 4.6/1326=27...(12)
      H     LEU  118 - H     LEU  122  far    0    89   0   -  5.6-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 594 from n15no.peaks (8.39, 7.64, 120.60 ppm; 4.54 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ASP  120 + H     LEU  122  OK   100   100 100 100  4.0-4.3   597/592=82, 3.6/616=66, 3614/2.5=61, 2.9/614=57...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 596 from n15no.peaks (8.39, 7.97, 105.36 ppm; 3.50 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ASP  120 + H     GLY  121  OK   100   100 100 100  2.4-2.6   597=100, 1494/1493=45, 1496/1495=43, 594/592=36...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 597 from n15no.peaks (7.97, 8.39, 120.25 ppm; 3.24 A):
    1 out of 3 assignments used, quality = 0.98:
      H     GLY  121 + H     ASP  120  OK    98   100 100  99  2.4-2.6   596=79, 1493/1494=39, 1495/1496=36, 592/594=30...(15)
      H     ALA  115 - H     ASP  120  far    0    73   0   -  7.9-8.2
      H     VAL  104 - H     ASP  120  far    0   100   0   -  8.9-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 599 from n15no.peaks (7.91, 8.39, 120.25 ppm; 3.22 A):
    1 out of 1 assignment used, quality = 0.99:
      H     VAL  119 + H     ASP  120  OK    99   100 100  99  2.6-2.9   532=91, 3969/807=35, 3979/806=33, 3967/3968=31...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 600 from n15no.peaks (3.84, 8.40, 119.93 ppm; 4.18 A):
    1 out of 4 assignments used, quality = 0.99:
      HA    GLU   54 + H     ALA   55  OK    99    99 100 100  3.4-3.5   3.6=100
      HD3   PRO   58 - H     ALA   55  far    0    76   0   -  7.9-8.1
      HD2   PRO   97 - H     ALA   55  far    0    83   0   -  8.1-9.0
      QA    GLY  128 - H     ALA   55  far    0   100   0   -  8.5-22.3
    Violated in 0 structures by 0.00 A.
 
    Peak 602 from n15no.peaks (4.74, 8.40, 119.93 ppm; 4.06 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 603 from n15no.peaks (7.65, 7.80, 119.44 ppm; 3.34 A):
    1 out of 4 assignments used, quality = 1.00:
      H     LEU  122 + H     ARG  123  OK   100   100 100 100  2.4-2.6   593=96, 3.0/3985=48, 1326/4.6=33, 3991/1302=31...(14)
      H     LEU  122 - H     LEU  118  far    0    46   0   -  5.6-6.0
      HE21  GLN   59 - H     LEU  118  far    0    22   0   -  5.8-6.7
      HE21  GLN   59 - H     ARG  123  far    0    60   0   -  8.2-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 604 from n15no.peaks (4.61, 8.25, 123.25 ppm; 3.77 A):
    1 out of 1 assignment used, quality = 0.71:
      HA    GLU  125 + H     GLU  125  OK    71    71 100 100  2.3-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 605 from n15no.peaks (4.38, 8.25, 123.25 ppm; 3.32 A increased from 3.12 A):
    1 out of 1 assignment used, quality = 0.89:
      HA    ARG  124 + H     GLU  125  OK    89    97 100  92  2.1-3.2   3.6=80, 2.9/589=44, 5.8/1334=18, 1247/5.7=17
    Violated in 0 structures by 0.00 A.
 
    Peak 606 from n15no.peaks (3.80, 8.25, 123.25 ppm; 5.05 A increased from 4.75 A):
    1 out of 3 assignments used, quality = 0.81:
      HD2   PRO  126 + H     GLU  125  OK    81    81 100 100  2.5-4.8   4.8=100
      HA    GLU   54 - H     GLU  125  far    0    57   0   -  8.3-13.2
      HD3   PRO   58 - H     GLU  125  far    0    93   0   -  8.4-13.2
    Violated in 0 structures by 0.00 A.
 
    Peak 608 from n15no.peaks (4.34, 8.00, 120.99 ppm; 3.32 A):
    2 out of 2 assignments used, quality = 0.87:
      HA    ARG  124 + H     ARG  124  OK    68    68 100 100  2.3-2.9   2.9=100
      HA    ARG  123 + H     ARG  124  OK    60    93  68  96  2.2-3.5   3.6=81, 2.9/609=41, 4034/5.2=21, 4033/5.2=21...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 609 from n15no.peaks (8.01, 7.80, 119.44 ppm; 4.02 A increased from 3.57 A):
    1 out of 3 assignments used, quality = 0.84:
      H     ARG  124 + H     ARG  123  OK    84    99  85 100  1.9-4.4   591=90, 4.0/1300=38, 1340/1302=36, 5.2/1301=35...(15)
      H     ARG  108 - H     LEU  118  far    0    43   0   -  8.2-8.7
      H     ARG  124 - H     LEU  118  far    0    45   0   -  9.0-12.2
    Violated in 5 structures by 0.08 A.
 
    Peak 610 from n15no.peaks (4.57, 7.80, 119.44 ppm; 4.23 A):
    1 out of 3 assignments used, quality = 0.97:
      HA    ASP  120 + H     ARG  123  OK    97    99 100  98  3.5-3.9   4031/3.4=57, 4035/1301=49, 4027/612=48, 614/603=45...(10)
      HA    GLU  125 - H     ARG  123  far    0    85   0   -  5.5-8.6
      HA    ASP  120 - H     LEU  118  far    0    45   0   -  6.9-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 611 from n15no.peaks (4.31, 7.80, 119.44 ppm; 2.98 A):
    1 out of 7 assignments used, quality = 0.92:
      HA    ARG  123 + H     ARG  123  OK    92    92 100 100  2.7-2.9   2.9=100
      HA    LEU  122 - H     ARG  123  far    0   100   0   -  3.2-3.3
      HA    LEU  122 - H     LEU  118  far    0    46   0   -  8.0-8.6
      HA    GLN  107 - H     LEU  118  far    0    37   0   -  8.7-9.8
      HB2   SER  111 - H     LEU  118  far    0    46   0   -  8.8-10.3
      HA    ARG  108 - H     LEU  118  far    0    46   0   -  9.0-9.5
      HA    ARG  123 - H     LEU  118  far    0    38   0   -  9.4-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 612 from n15no.peaks (3.33, 7.80, 119.44 ppm; 4.59 A):
    1 out of 2 assignments used, quality = 0.89:
      QD    ARG  123 + H     ARG  123  OK    89    99  90 100  3.4-4.8   2.5/1301=84, 5.1=74, 2.5/3563=67, 2.2/1300=62...(15)
      QD    ARG  123 - H     LEU  118  far    0    45   0   -  7.7-9.4
    Violated in 1 structures by 0.01 A.
 
    Peak 613 from n15no.peaks (4.32, 7.64, 120.60 ppm; 3.12 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    LEU  122 + H     LEU  122  OK    99    99 100 100  2.8-2.9   3.0=100
      HA    ARG  123 - H     LEU  122  far    0    99   0   -  4.7-5.1
    Violated in 0 structures by 0.00 A.
 
    Peak 614 from n15no.peaks (4.56, 7.64, 120.60 ppm; 4.96 A increased from 4.41 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    ASP  120 + H     LEU  122  OK   100   100 100 100  4.4-4.7   3.6/592=86, 2.9/594=74, 610/603=73, 3.0/1323=58...(18)
      HA    GLU  125 - H     LEU  122  far    0    68   0   -  5.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 615 from n15no.peaks (3.96, 7.64, 120.60 ppm; 3.38 A):
    1 out of 3 assignments used, quality = 0.96:
      QA    GLY  121 + H     LEU  122  OK    96    96 100 100  2.7-2.8   2.5=100
      QA    GLY  127 - H     LEU  122  far    0   100   0   -  5.3-15.4
      HA    ALA  115 - H     LEU  122  far    0    63   0   -  7.9-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 616 from n15no.peaks (3.49, 7.64, 120.60 ppm; 3.97 A increased from 3.73 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    VAL  119 + H     LEU  122  OK   100   100 100 100  3.5-3.8   4006/1329=63, 3963=58, 4002/1324=57, 621/592=47...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 617 from n15no.peaks (7.65, 7.97, 105.36 ppm; 3.42 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU  122 + H     GLY  121  OK   100   100 100 100  2.4-2.6   592=100, 1324/1318=35, 594/597=34, 616/621=29...(14)
      HE21  GLN   59 - H     GLY  121  far    0    60   0   -  5.5-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 618 from n15no.peaks (4.55, 7.97, 105.36 ppm; 3.99 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ASP  120 + H     GLY  121  OK    99    99 100 100  3.5-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 619 from n15no.peaks (4.20, 7.97, 105.36 ppm; 3.80 A):
    1 out of 2 assignments used, quality = 0.95:
      HA    LEU  118 + H     GLY  121  OK    95    99 100  96  3.2-3.4   1857=65, 4.6/1320=30, 3.0/3909=29, 3.0/3907=27...(11)
      HA3   GLY   57 - H     GLY  121  far    0    99   0   -  9.2-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 620 from n15no.peaks (3.96, 7.97, 105.36 ppm; 2.90 A):
    1 out of 4 assignments used, quality = 0.83:
      QA    GLY  121 + H     GLY  121  OK    83    83 100 100  2.2-2.2   2.5=100
      QA    GLY  127 - H     GLY  121  far    0    97   0   -  6.0-16.5
      HA    ALA  115 - H     GLY  121  far    0    83   0   -  7.5-7.8
      HA    GLN   59 - H     GLY  121  far    0   100   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 621 from n15no.peaks (3.49, 7.97, 105.36 ppm; 4.54 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    VAL  119 + H     GLY  121  OK   100   100 100 100  4.2-4.6   3.6/597=77, 616/592=71, 4002/1318=51, 3.2/1321=46...(15)
    Violated in 3 structures by 0.00 A.
 
    Peak 622 from n15no.peaks (4.55, 8.39, 120.25 ppm; 3.50 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ASP  120 + H     ASP  120  OK    99    99 100 100  2.8-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 623 from n15no.peaks (3.48, 8.39, 120.25 ppm; 4.06 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    VAL  119 + H     ASP  120  OK   100   100 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 624 from n15no.peaks (3.92, 8.39, 120.25 ppm; 4.30 A increased from 4.05 A):
    1 out of 2 assignments used, quality = 0.97:
      HA    ALA  116 + H     ASP  120  OK    97   100 100  98  3.9-4.3   1759/806=57, 3959/807=56, 3960/3968=56, 5.4/625=39...(7)
      HA    ALA  115 - H     ASP  120  far    0    89   0   -  6.3-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 625 from n15no.peaks (4.26, 8.39, 120.25 ppm; 3.79 A increased from 3.57 A):
    1 out of 1 assignment used, quality = 0.76:
      HA    ALA  117 + H     ASP  120  OK    76    87 100  87  3.5-3.8   3900/1496=44, 3899/4.1=37, 5.4/624=27, 3905=21...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 626 from n15no.peaks (4.56, 7.90, 119.43 ppm; 5.50 A increased from 4.69 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ASP  120 + H     VAL  119  OK   100   100 100 100  5.2-5.4   2.9/599=99, 5.9=80, 1761/3979=72, 5.8/1312=65...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 627 from n15no.peaks (6.92, 7.90, 119.43 ppm; 5.24 A increased from 4.66 A):
    1 out of 4 assignments used, quality = 0.71:
      HZ    PHE   92 + H     VAL  119  OK    71    71 100 100  4.8-5.3   3972/1312=90, 2.2/582=83, 3976/3979=75, 3966/3967=60...(10)
      HE22  GLN   59 - H     VAL  119  far    0   100   0   -  5.5-7.0
      HE22  GLN  107 - H     VAL  119  far    0    89   0   -  5.5-7.5
      QD    PHE   92 - H     VAL  119  far    0   100   0   -  6.3-7.0
    Violated in 2 structures by 0.00 A.
 
    Peak 628 from n15no.peaks (6.89, 8.39, 120.25 ppm; 5.50 A increased from 5.33 A):
    2 out of 3 assignments used, quality = 1.00:
      HZ    PHE   92 + H     ASP  120  OK   100   100 100 100  4.8-5.5   181/806=84, 174/807=83, 117/624=76, 3966/3968=65...(6)
      HE22  GLN   59 + H     ASP  120  OK    25    65  85  45  4.7-5.8   868/625=31, 855/8.0=20
      HE22  GLN  107 - H     ASP  120  far    0    95   0   -  7.8-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 629 from n15no.peaks (6.86, 7.94, 115.44 ppm; 5.26 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 630 from n15no.peaks (7.95, 8.51, 119.75 ppm; 3.35 A):
    1 out of 4 assignments used, quality = 1.00:
      H     ALA  115 + H     ALA  116  OK   100   100 100 100  2.7-2.7   565=100, 2.9/982=55, 3.6/3874=35, 1285/2.9=35...(17)
      H     ARG   70 - H     LEU   68  far    0    65   0   -  3.7-4.4
      H     GLY  121 - H     ALA  116  far    0    90   0   -  7.7-8.1
      H     VAL  104 - H     ALA  116  far    0    90   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 631 from n15no.peaks (7.76, 8.51, 119.75 ppm; 3.31 A):
    1 out of 3 assignments used, quality = 1.00:
      H     ALA  117 + H     ALA  116  OK   100   100 100 100  2.5-2.6   533=100, 1294/1662=57, 1695/1693=39, 1295/982=30...(16)
      H     ALA   61 - H     ALA  116  far    0    73   0   -  9.1-9.3
      H     GLY   94 - H     ALA  116  far    0    97   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 634 from n15no.peaks (8.93, 8.51, 119.75 ppm; 4.95 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU  113 + H     ALA  116  OK   100   100 100 100  4.7-4.9   544=87, 2.9/975=86, 543/565=72, 1663/1662=67...(15)
      H     GLY  110 - H     ALA  116  far    0    99   0   -  7.5-8.1
    Violated in 2 structures by 0.00 A.
 
    Peak 635 from n15no.peaks (7.26, 6.70, 110.68 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 1.00:
      HE21  GLN  105 + HE22  GLN  105  OK   100   100 100 100  1.7-1.7   1.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 636 from n15no.peaks (6.70, 7.26, 110.68 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 1.00:
      HE22  GLN  105 + HE21  GLN  105  OK   100   100 100 100  1.7-1.7   1.7=100
      HE22  GLN  101 - HE21  GLN  105  far    0    93   0   -  3.2-5.8
    Violated in 0 structures by 0.00 A.
 
    Peak 637 from n15no.peaks (8.58, 7.97, 117.89 ppm; 3.13 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLN  105 + H     VAL  104  OK   100   100 100 100  2.5-2.8   494=97, 1219/726=49, 3577/728=34, 495/486=32...(16)
      H     GLY   39 - H     GLU   41  far    0    85   0   -  3.4-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 638 from n15no.peaks (4.22, 8.58, 109.53 ppm; 3.26 A):
    1 out of 1 assignment used, quality = 0.97:
      HA2   GLY   39 + H     GLY   39  OK    97    97 100 100  2.3-2.8   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 639 from n15no.peaks (4.07, 8.58, 109.53 ppm; 3.32 A):
    1 out of 4 assignments used, quality = 0.99:
      HA3   GLY   39 + H     GLY   39  OK    99    99 100 100  2.3-2.9   2.9=100
      HA    ALA   42 - H     GLY   39  far    0    97   0   -  5.4-7.2
      HA    ALA   43 - H     GLY   39  far    0    78   0   -  6.6-8.5
      HA    LEU   68 - H     GLY   39  far    0   100   0   -  9.7-13.2
    Violated in 0 structures by 0.00 A.
 
    Peak 640 from n15no.peaks (3.91, 8.58, 109.53 ppm; 4.05 A increased from 3.60 A):
    1 out of 1 assignment used, quality = 0.77:
      QD    PRO   38 + H     GLY   39  OK    77    81 100  95  2.7-4.0   2.0/2529=55, 5.0=53, 4.4/642=35, 1476/643=34...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 641 from n15no.peaks (3.70, 8.58, 109.53 ppm; 4.60 A increased from 3.87 A):
    1 out of 1 assignment used, quality = 1.00:
      HD3   PRO   40 + H     GLY   39  OK   100   100 100 100  2.8-4.4   1559=93, 1506/2.9=83, ~1557=57, ~1505=57...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 642 from n15no.peaks (2.77, 8.58, 109.53 ppm; 4.93 A):
    1 out of 2 assignments used, quality = 0.85:
      HB2   ASP   37 + H     GLY   39  OK    85    87 100  98  2.1-3.5   1.8/643=77, 4.4/640=63, 1498/4.8=46, 1550/641=44
      HB3   TRP   72 - H     GLY   39  far    0    97   0   -  7.4-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 643 from n15no.peaks (2.64, 8.58, 109.53 ppm; 5.07 A):
    1 out of 1 assignment used, quality = 0.98:
      HB3   ASP   37 + H     GLY   39  OK    98   100 100  98  3.1-4.5   1.8/642=84, 1476/640=68, 1483/4.8=46, 7.7=29
    Violated in 0 structures by 0.00 A.
 
    Peak 644 from n15no.peaks (2.27, 8.58, 109.53 ppm; 4.82 A increased from 4.29 A):
    1 out of 3 assignments used, quality = 0.99:
      HB2   PRO   38 + H     GLY   39  OK    99    99 100 100  3.4-4.7   3.9=100
      HG2   PRO   40 - H     GLY   39  far   10    99  10   -  4.7-6.6
      QG    GLU  125 - H     GLY  339  far    0    60   0   -  6.0-28.1
    Violated in 0 structures by 0.00 A.
 
    Peak 645 from n15no.peaks (2.05, 8.58, 109.53 ppm; 4.53 A increased from 3.82 A):
    2 out of 4 assignments used, quality = 1.00:
      QG    PRO   38 + H     GLY   39  OK    99    99 100 100  1.8-4.3   4.8=86, 2.0/640=86, 1526/646=49, ~1503=38...(8)
      HB3   PRO   38 + H     GLY   39  OK    63    63 100 100  1.9-4.4   3.9=100
      HB2   GLU   41 - H     GLY   39  far    0   100   0   -  5.0-8.2
      HB2   GLU  125 - H     GLY  339  far    0    99   0   -  6.0-44.8
    Violated in 0 structures by 0.00 A.
 
    Peak 646 from n15no.peaks (1.45, 8.58, 109.53 ppm; 4.68 A):
    1 out of 1 assignment used, quality = 0.98:
      QB    ALA   42 + H     GLY   39  OK    98    99 100  98  3.0-4.2   1504/2.9=69, 1510/2.9=61, 1517/3.9=57, 1526/4.8=52...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 647 from n15no.peaks (7.18, 8.43, 123.79 ppm; 5.02 A increased from 4.73 A):
    1 out of 2 assignments used, quality = 1.00:
      HD1   TRP   72 + H     ARG   44  OK   100   100 100 100  4.1-5.0   54=80, 226/4.0=68, 52/128=59, 1842/2.9=52...(7)
      HZ    PHE   47 - H     ARG   44  far    0   100   0   -  8.9-10.0
    Violated in 2 structures by 0.00 A.
 
    Peak 648 from n15no.peaks (7.19, 8.63, 113.45 ppm; 5.50 A increased from 4.98 A):
    1 out of 2 assignments used, quality = 0.92:
      HD1   TRP   72 + HE    ARG   44  OK    92    97  95  99  3.5-5.6   226/4.7=68, 1832/2.9=64, ~253=54, 52/650=50...(7)
      HZ    PHE   47 - HE    ARG   44  far    0    99   0   -  7.6-11.7
    Violated in 6 structures by 0.02 A.
 
    Peak 649 from n15no.peaks (4.75, 8.63, 113.45 ppm; 4.79 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 650 from n15no.peaks (4.46, 8.63, 113.45 ppm; 5.49 A increased from 5.17 A):
    1 out of 1 assignment used, quality = 0.81:
      HA    GLU   41 + HE    ARG   44  OK    81   100 100  82  1.9-5.5   52/648=50, 128/6.9=39, 130/7.0=39
    Violated in 1 structures by 0.00 A.
 
    Peak 651 from n15no.peaks (3.18, 8.63, 113.45 ppm; 4.67 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   ARG   44 + HE    ARG   44  OK   100   100 100 100  2.3-2.9   2.9=100
      QD    ARG   74 - HE    ARG   44  far    0    96   0   -  7.9-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 652 from n15no.peaks (2.63, 8.63, 113.45 ppm; 4.42 A):
    1 out of 2 assignments used, quality = 0.87:
      HD3   ARG   44 + HE    ARG   44  OK    87    87 100 100  2.3-2.9   2.9=100
      HB2   CYS   69 - HE    ARG   44  far    0    71   0   -  6.3-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 653 from n15no.peaks (2.24, 8.63, 113.45 ppm; 5.44 A):
    0 out of 3 assignments used, quality = 0.00:
      HG2   PRO   40 + HE    ARG   44  far    0    65   0   -  5.7-7.9
      HB2   PRO   38 + HE    ARG   44  far    0    65   0   -  8.3-15.3
      HB2   MET   83 + HE    ARG   44  far    0    83   0   -  9.7-15.3
    Violated in 20 structures by 1.25 A.
 
    Peak 654 from n15no.peaks (1.55, 8.63, 113.45 ppm; 5.13 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   LEU  122 + HE    ARG  344  far    0    90   0   -  6.5-53.3
    Violated in 20 structures by 4.18 A.
 
    Peak 655 from n15no.peaks (-0.74, 8.63, 113.45 ppm; 5.34 A):
    1 out of 1 assignment used, quality = 0.96:
      HG3   ARG   44 + HE    ARG   44  OK    96    96 100 100  2.2-3.9   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 656 from n15no.peaks (0.33, 8.63, 113.45 ppm; 5.16 A):
    0 out of 1 assignment used, quality = 0.00:
    Violated in 20 structures by 4.16 A.
 
    Peak 657 from n15no.peaks (0.62, 8.63, 113.45 ppm; 5.17 A):
    1 out of 3 assignments used, quality = 0.83:
      HG2   ARG   44 + HE    ARG   44  OK    83    83 100 100  2.1-3.8   4.0=100
      QD2   LEU   65 - HE    ARG   44  far    0    68   0   -  9.4-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 658 from n15no.peaks (4.42, 7.54, 118.02 ppm; 5.50 A increased from 4.94 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PHE   47 + H     ARG   46  OK   100   100 100 100  5.0-5.3   3.0/397=97, 3.0/662=84, 4.8/664=82, 6.3=67...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 659 from n15no.peaks (4.00, 7.54, 118.02 ppm; 3.20 A):
    1 out of 2 assignments used, quality = 0.81:
      HA    ARG   46 + H     ARG   46  OK    81    81 100 100  2.8-2.9   3.0=100
      QA    GLY  121 - H     ARG  346  far    0    71   0   -  9.0-38.0
    Violated in 0 structures by 0.00 A.
 
    Peak 660 from n15no.peaks (3.77, 7.54, 118.02 ppm; 3.99 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LEU   45 + H     ARG   46  OK   100   100 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 661 from n15no.peaks (3.25, 7.54, 118.02 ppm; 3.87 A):
    1 out of 4 assignments used, quality = 1.00:
      QD    ARG   46 + H     ARG   46  OK   100   100 100 100  2.1-3.5   2.1/664=91, 2.1/1961=63, 1170/3.0=60, 1962=55...(14)
      HB2   PHE   47 - H     ARG   46  far    0    81   0   -  5.3-5.7
      HB2   PHE   50 - H     ARG   46  far    0    99   0   -  7.4-8.0
      QD    ARG  103 - H     ARG  346  far    0    99   0   -  9.6-31.8
    Violated in 0 structures by 0.00 A.
 
    Peak 662 from n15no.peaks (3.05, 7.54, 118.02 ppm; 4.61 A):
    1 out of 2 assignments used, quality = 0.88:
      HB3   PHE   47 + H     ARG   46  OK    88    89 100  99  4.2-4.6   675/397=73, 3.0/658=49, 6.3/664=37, 2508/668=35...(11)
      HB2   CYS   49 - H     ARG   46  far    0    60   0   -  5.0-7.3
    Violated in 2 structures by 0.00 A.
 
    Peak 663 from n15no.peaks (2.74, 7.54, 118.02 ppm; 5.02 A increased from 4.72 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    ARG   44 + H     ARG   46  OK   100   100 100 100  4.1-4.8   3.6/126=84, 2.9/127=78, 1847=76, 1846/397=58...(17)
      HB3   TRP   72 - H     ARG   46  far    0    65   0   -  6.3-7.0
      QB    PRO   40 - H     ARG   46  far    0   100   0   -  8.0-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 664 from n15no.peaks (1.92, 7.54, 118.02 ppm; 2.84 A):
    1 out of 1 assignment used, quality = 0.96:
      QB    ARG   46 + H     ARG   46  OK    96    99 100  97  2.1-2.6   3.3=63, 2.1/661=36, 2.1/1961=31, 4.0/397=26...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 665 from n15no.peaks (1.77, 7.54, 118.02 ppm; 3.84 A increased from 3.42 A):
    1 out of 2 assignments used, quality = 0.97:
      HB2   LEU   45 + H     ARG   46  OK    97    97 100 100  2.5-3.8   1872=72, 1.8/667=66, 685/126=60, 3.1/1952=46...(14)
      QB    ARG   48 - H     ARG   46  far    0    89   0   -  4.5-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 666 from n15no.peaks (1.63, 7.54, 118.02 ppm; 3.72 A increased from 3.31 A):
    2 out of 4 assignments used, quality = 0.90:
      QG    ARG   46 + H     ARG   46  OK    81    85  95 100  1.9-3.8   2.1/664=88, 2.1/661=65, 4.3=63, 4.4/397=41...(14)
      HG    LEU   45 + H     ARG   46  OK    49    95  53  99  1.9-4.9   686/126=55, 3.0/665=54, 2.1/1952=51, 2.1/1955=49...(12)
      QB    ALA   43 - H     ARG   46  far    0    85   0   -  4.3-4.8
      QG    ARG   48 - H     ARG   46  far    0    97   0   -  4.8-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 667 from n15no.peaks (1.41, 7.54, 118.02 ppm; 4.16 A increased from 3.70 A):
    1 out of 1 assignment used, quality = 0.87:
      HB3   LEU   45 + H     ARG   46  OK    87    87 100 100  2.8-4.2   1.8/665=84, 4.6=76, 687/126=61, 1942/1955=55...(14)
    Violated in 3 structures by 0.01 A.
 
    Peak 668 from n15no.peaks (0.95, 7.54, 118.02 ppm; 5.38 A increased from 4.30 A):
    1 out of 2 assignments used, quality = 0.95:
      QD2   LEU   68 + H     ARG   46  OK    95    95 100 100  4.9-5.2   2505/3.3=89, 2532=84, 1582/1576=66, 2533/397=63...(9)
      QD1   LEU  118 - H     ARG  346  far    0    73   0   -  9.8-26.2
    Violated in 0 structures by 0.00 A.
 
    Peak 669 from n15no.peaks (0.82, 7.54, 118.02 ppm; 4.64 A increased from 4.36 A):
    1 out of 2 assignments used, quality = 1.00:
      QD1   LEU   45 + H     ARG   46  OK   100   100 100 100  1.8-4.5   1952=100, 2.1/1955=77, 3.1/665=76, 3.1/667=71...(14)
      HG    LEU   73 - H     ARG   46  far    0    65   0   -  9.9-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 671 from n15no.peaks (0.76, 7.54, 118.02 ppm; 4.61 A increased from 4.34 A):
    1 out of 2 assignments used, quality = 0.65:
      QD2   LEU   45 + H     ARG   46  OK    65    65 100 100  2.0-4.6   2.1/1952=78, 5.0=78, 3.1/665=75, 3.1/667=70...(16)
      QD1   LEU   87 - H     ARG   46  far    0    89   0   -  9.8-10.9
    Violated in 1 structures by 0.00 A.
 
    Peak 672 from n15no.peaks (4.00, 7.65, 118.26 ppm; 4.07 A):
    1 out of 3 assignments used, quality = 0.81:
      HA    ARG   46 + H     PHE   47  OK    81    81 100 100  3.5-3.5   3.6=100
      HA    GLN   71 - H     PHE   47  far    0    76   0   -  9.7-10.8
      QA    GLY  121 - H     PHE  347  far    0    71   0   -  9.7-39.5
    Violated in 0 structures by 0.00 A.
 
    Peak 673 from n15no.peaks (3.77, 7.65, 118.26 ppm; 5.10 A):
    1 out of 2 assignments used, quality = 0.97:
      HA    LEU   45 + H     PHE   47  OK    97    97 100 100  3.9-4.3   3.6/397=87, 1958/132=66, 5.2/677=59, 103/131=52...(14)
      HA    ARG   66 - H     PHE   47  far    0    68   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 674 from n15no.peaks (3.29, 7.65, 118.26 ppm; 3.64 A):
    1 out of 2 assignments used, quality = 0.94:
      HB2   PHE   47 + H     PHE   47  OK    94    95 100  99  3.0-3.2   4.0=76, 1.8/675=71, 2.4/131=50, 742/132=35...(12)
      HB2   PHE   50 - H     PHE   47  far    0    65   0   -  5.3-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 675 from n15no.peaks (3.05, 7.65, 118.26 ppm; 3.71 A):
    1 out of 2 assignments used, quality = 0.88:
      HB3   PHE   47 + H     PHE   47  OK    88    89 100 100  2.1-2.2   4.0=80, 1.8/674=75, 2.4/131=52, 662/397=38...(13)
      HB2   CYS   49 - H     PHE   47  far    0    60   0   -  5.0-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 676 from n15no.peaks (2.76, 7.65, 118.26 ppm; 4.37 A):
    1 out of 3 assignments used, quality = 0.73:
      HA    ARG   44 + H     PHE   47  OK    73    76 100  96  3.2-3.9   745/132=48, 1846=42, 1810/674=38, 1809/4.0=32...(10)
      HB3   TRP   72 - H     PHE   47  far    0    99   0   -  5.8-6.6
      QB    PRO   40 - H     PHE   47  far    0    83   0   -  8.3-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 677 from n15no.peaks (1.94, 7.65, 118.26 ppm; 3.61 A):
    1 out of 2 assignments used, quality = 0.92:
      QB    ARG   46 + H     PHE   47  OK    92    93 100  98  2.7-3.0   4.0=74, 3.3/397=55, 2505/2533=31, 5.2/673=21...(14)
      HB2   LEU   65 - H     PHE   47  far    0    99   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 678 from n15no.peaks (1.62, 7.65, 118.26 ppm; 4.88 A increased from 4.11 A):
    4 out of 6 assignments used, quality = 1.00:
      QB    ALA   43 + H     PHE   47  OK    93    96 100  97  4.2-4.7   1627/677=64, 4.5/676=56, 1633/2533=51, 1653/397=48...(6)
      QG    ARG   46 + H     PHE   47  OK    68    68 100 100  2.2-4.7   4.4=100
      QG    ARG   48 + H     PHE   47  OK    61   100  63  98  3.7-6.3   747/132=69, 1987/131=48, 6.5=43, 7.4/674=28...(8)
      HG    LEU   45 + H     PHE   47  OK    50    99  53  95  4.3-6.4   5.0/397=60, 3.7/673=56, 6.5/677=38, 6.9/676=31...(6)
      QB    ALA   95 - H     PHE   47  far    0    98   0   -  8.6-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 679 from n15no.peaks (1.01, 7.65, 118.26 ppm; 4.44 A):
    0 out of 2 assignments used, quality = 0.00:
      QD2   LEU   87 + H     PHE   47  far    0    97   0   -  8.5-9.2
    Violated in 20 structures by 3.91 A.
 
    Peak 680 from n15no.peaks (4.04, 8.11, 117.62 ppm; 4.13 A increased from 3.89 A):
    1 out of 4 assignments used, quality = 0.89:
      HA    ALA   42 + H     LEU   45  OK    89    90 100  99  3.6-4.1   1578=87, 1581/688=55, 1583/685=53, 5.4/130=32...(7)
      HA    ALA   43 - H     LEU   45  far   17   100  18   -  4.1-5.0
      HA3   GLY   39 - H     LEU   45  far    0    85   0   -  8.2-9.5
      HA    LEU   68 - H     LEU   45  far    0    73   0   -  8.4-9.3
    Violated in 1 structures by 0.00 A.
 
    Peak 681 from n15no.peaks (3.76, 8.11, 117.62 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    LEU   45 + H     LEU   45  OK   100   100 100 100  2.8-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 682 from n15no.peaks (3.24, 8.11, 117.62 ppm; 5.32 A increased from 5.01 A):
    1 out of 4 assignments used, quality = 0.88:
      QD    ARG   46 + H     LEU   45  OK    88    90  98 100  4.1-5.1   2.1/684=91, 661/126=73, 3551/5.8=54, 7.1=42...(14)
      QD    ARG  103 - H     LEU  345  far    0    99   0   -  8.4-31.9
      HB2   PHE   50 - H     LEU   45  far    0    81   0   -  9.2-9.9
      HA    LEU   73 - H     LEU   45  far    0   100   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 683 from n15no.peaks (2.74, 8.11, 117.62 ppm; 4.29 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    ARG   44 + H     LEU   45  OK   100   100 100 100  3.5-3.6   3.6=100
      HB3   TRP   72 - H     LEU   45  far    0    65   0   -  5.0-6.0
      QB    PRO   40 - H     LEU   45  far    0   100   0   -  6.4-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 684 from n15no.peaks (1.92, 8.11, 117.62 ppm; 4.59 A increased from 4.08 A):
    1 out of 2 assignments used, quality = 0.94:
      QB    ARG   46 + H     LEU   45  OK    94    99  95 100  4.2-4.7   664/126=86, 2.1/682=58, 6.1=42, 6.0/688=38...(13)
      HB3   GLU  125 - H     LEU  345  far    0    87   0   -  8.1-52.4
    Violated in 1 structures by 0.01 A.
 
    Peak 685 from n15no.peaks (1.77, 8.11, 117.62 ppm; 3.32 A):
    1 out of 3 assignments used, quality = 0.97:
      HB2   LEU   45 + H     LEU   45  OK    97    97 100  99  2.1-2.3   1.8/687=59, 4.0=55, 3.0/686=50, 3.1/688=42...(13)
      QB    ARG   48 - H     LEU   45  far    0    89   0   -  4.5-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 686 from n15no.peaks (1.63, 8.11, 117.62 ppm; 3.43 A increased from 3.23 A):
    1 out of 5 assignments used, quality = 0.80:
      HG    LEU   45 + H     LEU   45  OK    80    95  85 100  2.6-3.9   1949=75, 2.1/688=58, 3.0/685=55, 3.0/687=48...(13)
      QG    ARG   46 - H     LEU   45  far    0    85   0   -  3.6-6.1
      QG    ARG   48 - H     LEU   45  far    0    97   0   -  4.2-7.2
      QB    ALA   43 - H     LEU   45  far    0    85   0   -  4.3-5.1
    Violated in 4 structures by 0.07 A.
 
    Peak 687 from n15no.peaks (1.42, 8.11, 117.62 ppm; 3.72 A increased from 3.50 A):
    1 out of 3 assignments used, quality = 0.71:
      HB3   LEU   45 + H     LEU   45  OK    71    71 100 100  3.4-3.6   1.8/685=84, 4.0=78, 3.0/686=61, 3.1/688=53...(12)
      QB    ALA   42 - H     LEU   45  far    0    63   0   -  4.6-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 688 from n15no.peaks (0.83, 8.11, 117.62 ppm; 3.78 A):
    1 out of 2 assignments used, quality = 0.86:
      QD1   LEU   45 + H     LEU   45  OK    86    96  90 100  1.9-3.9   1950=79, 2.1/686=77, 3.1/685=63, 3.1/687=56...(13)
    Violated in 3 structures by 0.02 A.
 
    Peak 690 from n15no.peaks (0.76, 8.11, 117.62 ppm; 4.37 A increased from 3.88 A):
    1 out of 3 assignments used, quality = 0.65:
      QD2   LEU   45 + H     LEU   45  OK    65    65 100 100  1.9-4.2   4.5=93, 2.1/686=91, 2.1/688=86, 3.1/685=78...(12)
      QD1   LEU   87 - H     LEU   45  far    0    89   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 691 from n15no.peaks (0.37, 8.11, 117.62 ppm; 4.52 A):
    0 out of 1 assignment used, quality = 0.00:
    Violated in 20 structures by 6.26 A.
 
    Peak 692 from n15no.peaks (-0.74, 8.11, 117.62 ppm; 4.98 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   ARG   44 + H     LEU   45  OK   100   100 100 100  3.1-5.0   5.0=98, 4.8/124=62, 7.7/688=26, 7.8/685=26...(9)
    Violated in 5 structures by 0.01 A.
 
    Peak 693 from n15no.peaks (4.89, 7.86, 120.30 ppm; 5.37 A increased from 5.05 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    TRP   72 + H     ALA   43  OK    99    99 100 100  4.1-5.1   1632/2.9=94, 3.0/695=81, ~1629=55, ~1652=53...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 694 from n15no.peaks (3.24, 7.86, 120.30 ppm; 5.39 A):
    1 out of 4 assignments used, quality = 0.88:
      QD    ARG   46 + H     ALA   43  OK    88    90  98 100  4.3-5.4   1797/3.6=76, ~1584=68, ~1627=61, 1580/2.9=49...(8)
      HA    LEU   73 - H     ALA   43  far    0   100   0   -  8.5-9.4
      HD2   ARG   70 - H     ALA   43  far    0    97   0   -  9.0-11.3
      QD    ARG  103 - H     ALA  343  far    0    99   0   -  9.3-28.8
    Violated in 1 structures by 0.01 A.
 
    Peak 695 from n15no.peaks (2.74, 7.86, 120.30 ppm; 4.60 A):
    1 out of 3 assignments used, quality = 0.62:
      HB3   TRP   72 + H     ALA   43  OK    62    65  95  99  3.8-4.2   1629/2.9=80, 3.0/693=51, ~1630=51, ~2635=45...(10)
      QB    PRO   40 - H     ALA   43  far   13   100  13   -  4.5-5.3
      HA    ARG   44 - H     ALA   43  far    0   100   0   -  4.9-5.2
    Violated in 0 structures by 0.00 A.
 
    Peak 696 from n15no.peaks (2.42, 7.86, 120.30 ppm; 5.02 A):
    0 out of 2 assignments used, quality = 0.00:
      HG3   GLN   71 + H     ALA   43  far   10    57  18   -  4.6-9.1
      QG    GLN  107 + H     ALA  343  far    0    85   0   -  9.1-34.1
    Violated in 18 structures by 2.46 A.
 
    Peak 697 from n15no.peaks (1.61, 7.86, 120.30 ppm; 3.08 A):
    1 out of 5 assignments used, quality = 1.00:
      QB    ALA   43 + H     ALA   43  OK   100   100 100 100  2.0-2.3   2.9=100
      HG    LEU   45 - H     ALA   43  far    0    99   0   -  4.7-7.7
      QG    ARG   74 - H     ALA   43  far    0    78   0   -  7.1-8.2
      QG    ARG   48 - H     ALA   43  far    0    97   0   -  7.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 698 from n15no.peaks (1.46, 7.86, 120.30 ppm; 3.14 A):
    1 out of 2 assignments used, quality = 0.75:
      QB    ALA   42 + H     ALA   43  OK    75    83 100  90  2.3-2.9   3.6=68, 4.6/1654=28, 700/4.7=28, 5.0/129=17...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 699 from n15no.peaks (4.04, 7.86, 120.30 ppm; 3.24 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    ALA   43 + H     ALA   43  OK   100   100 100 100  2.8-2.9   2.9=100
      HA    ALA   42 - H     ALA   43  far    0    90   0   -  3.5-3.6
      HA3   GLY   39 - H     ALA   43  far    0    85   0   -  4.8-5.8
      HA    LEU   68 - H     ALA   43  far    0    73   0   -  6.6-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 700 from n15no.peaks (1.46, 7.88, 121.03 ppm; 2.78 A):
    1 out of 2 assignments used, quality = 0.88:
      QB    ALA   42 + H     ALA   42  OK    88    95 100  93  2.0-2.2   2.9=85, 698/4.7=19, 727/4.6=14, 5.6/701=11...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 701 from n15no.peaks (1.80, 7.88, 121.03 ppm; 4.07 A increased from 3.62 A):
    1 out of 2 assignments used, quality = 0.93:
      HB3   GLU   41 + H     ALA   42  OK    93   100 100  94  2.6-4.1   4.6=70, 733/4.6=42, 5.6/700=36, 5.8/702=24
      QB    ARG   48 - H     ALA   42  far    0    89   0   -  8.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 702 from n15no.peaks (2.75, 7.88, 121.03 ppm; 5.14 A):
    1 out of 3 assignments used, quality = 0.80:
      QB    PRO   40 + H     ALA   42  OK    80    95 100  84  4.7-5.1   6.4=51, 5.8/701=48, 7.1/700=37
      HB3   TRP   72 - H     ALA   42  far    5    93   5   -  5.2-5.9
      HA    ARG   44 - H     ALA   42  far    0    90   0   -  6.5-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 703 from n15no.peaks (2.76, 8.43, 123.79 ppm; 3.83 A):
    2 out of 4 assignments used, quality = 0.95:
      HB3   TRP   72 + H     ARG   44  OK    82    99  95  87  2.5-3.5   1629/3.5=53, 3.8/647=33, 695/123=25, 2643=21...(8)
      HA    ARG   44 + H     ARG   44  OK    73    73 100 100  2.8-2.8   2.9=100
      QB    PRO   40 - H     ARG   44  far    0    81   0   -  4.5-5.0
      QB    TYR   52 - H     GLU   54  far    0    47   0   -  5.1-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 705 from n15no.peaks (3.19, 8.43, 123.79 ppm; 5.50 A increased from 5.27 A):
    1 out of 3 assignments used, quality = 0.72:
      HD2   ARG   44 + H     ARG   44  OK    72   100  73 100  4.3-5.8   1.8/706=86, 3.9/710=85, 3.9/708=82, 3.0/709=81...(11)
      QD    ARG   74 - H     ARG   44  far    0    98   0   -  7.0-9.1
      HD3   ARG   70 - H     ARG   44  far    0    78   0   -  9.8-11.7
    Violated in 8 structures by 0.11 A.
 
    Peak 706 from n15no.peaks (2.63, 8.43, 123.79 ppm; 5.31 A increased from 4.72 A):
    1 out of 2 assignments used, quality = 0.78:
      HD3   ARG   44 + H     ARG   44  OK    78    87  90 100  4.5-5.3   3.9/710=82, 3.9/708=79, 3.0/709=78, 1.8/705=77...(12)
      HB2   CYS   69 - H     ARG   44  far    0    71   0   -  6.9-9.4
    Violated in 4 structures by 0.07 A.
 
    Peak 707 from n15no.peaks (-0.74, 8.43, 123.79 ppm; 4.80 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   ARG   44 + H     ARG   44  OK   100   100 100 100  2.6-4.6   4.8=98, 2.9/710=85, 2.9/708=81, 1.8/709=80...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 708 from n15no.peaks (0.30, 8.43, 123.79 ppm; 3.97 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   ARG   44 + H     ARG   44  OK   100   100 100 100  2.1-2.7   4.0=95, 1.8/710=81, 2.9/709=46, 2.9/707=46...(12)
      QD1   LEU   73 - H     ARG   44  far    0    92   0   -  6.1-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 709 from n15no.peaks (0.62, 8.43, 123.79 ppm; 4.78 A):
    1 out of 4 assignments used, quality = 0.83:
      HG2   ARG   44 + H     ARG   44  OK    83    83 100 100  2.0-4.4   4.8=97, 2.9/710=84, 2.9/708=80, 1.8/707=79...(12)
      QD2   LEU   65 - H     ARG   44  far    0    68   0   -  8.6-9.5
      QD2   LEU   65 - H     GLU   54  far    0    49   0   -  9.9-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 710 from n15no.peaks (1.48, 8.43, 123.79 ppm; 3.72 A):
    1 out of 2 assignments used, quality = 0.84:
      HB2   ARG   44 + H     ARG   44  OK    84    85 100  99  2.2-3.6   4.0=78, 1.8/708=67, 2.9/709=40, 2.9/707=40...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 711 from n15no.peaks (3.83, 8.44, 123.96 ppm; 4.06 A):
    1 out of 6 assignments used, quality = 1.00:
      HA    GLU   54 + H     GLU   54  OK   100   100 100 100  2.8-2.8   3.0=100
      HD2   PRO   97 - H     GLU   54  far    0    98   0   -  5.5-6.4
      HD2   PRO   40 - H     ARG   44  far    0    65   0   -  6.8-7.5
      HD3   PRO   58 - H     GLU   54  far    0    96   0   -  7.6-8.0
      HA    ARG   48 - H     ARG   44  far    0    80   0   -  8.0-9.0
      QA    GLY  128 - H     GLU   54  far    0    97   0   -  9.4-21.4
    Violated in 0 structures by 0.00 A.
 
    Peak 712 from n15no.peaks (3.26, 8.44, 123.96 ppm; 5.50 A increased from 4.85 A):
    1 out of 6 assignments used, quality = 0.50:
      QD    ARG   46 + H     ARG   44  OK    50    81  65  96  5.1-6.0   1797/5.9=49, 661/127=49, 7.1/124=42, 694/121=41...(6)
      HB2   PHE   47 - H     ARG   44  far    9    72  13   -  5.4-6.4
      HD3   PRO   97 - H     GLU   54  far    0    76   0   -  6.4-7.5
      HA    LEU   73 - H     ARG   44  far    0    53   0   -  7.3-8.1
      HB2   PHE   50 - H     ARG   44  far    0    82   0   -  9.7-10.5
      QD    ARG  103 - H     ARG  344  far    0    70   0   -  9.8-30.9
    Violated in 10 structures by 0.07 A.
 
    Peak 713 from n15no.peaks (2.01, 8.44, 123.96 ppm; 3.55 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    GLU   54 + H     GLU   54  OK   100   100 100 100  2.3-2.6   3.2=100
      HG    LEU   68 - H     ARG   44  far    0    51   0   -  6.3-9.3
      HB3   PRO   97 - H     GLU   54  far    0    83   0   -  6.6-7.6
      HB3   GLU   60 - H     GLU   54  far    0    97   0   -  8.2-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 715 from n15no.peaks (1.50, 8.44, 123.96 ppm; 3.51 A):
    1 out of 4 assignments used, quality = 0.78:
      HB2   ARG   44 + H     ARG   44  OK    78    81 100  96  2.2-3.6   4.0=66, 1.8/708=39, 4.6/124=32, 2.9/709=23...(11)
      HB3   LEU   68 - H     ARG   44  far    0    65   0   -  6.6-8.4
      QB    ALA  117 - H     ARG  344  far    0    51   0   -  9.5-30.3
    Violated in 1 structures by 0.00 A.
 
    Peak 716 from n15no.peaks (1.61, 8.44, 123.96 ppm; 3.35 A):
    1 out of 6 assignments used, quality = 0.81:
      QB    ALA   43 + H     ARG   44  OK    81    82 100  98  2.4-2.9   1655=85, 2.9/121=49, 1825/4.0=23, 5.8/715=19...(13)
      HG    LEU   45 - H     ARG   44  far    0    79   0   -  4.3-6.1
      QG    ARG   48 - H     ARG   44  far    0    76   0   -  5.7-8.9
      QG    ARG   74 - H     ARG   44  far    0    60   0   -  7.4-8.1
      QB    ALA   95 - H     GLU   54  far    0   100   0   -  7.7-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 717 from n15no.peaks (0.36, 8.44, 123.96 ppm; 4.04 A):
    0 out of 1 assignment used, quality = 0.00:
    Violated in 20 structures by 4.72 A.
 
    Peak 718 from n15no.peaks (4.24, 8.44, 123.96 ppm; 3.41 A):
    1 out of 4 assignments used, quality = 0.98:
      HA    GLU   53 + H     GLU   54  OK    98   100 100  98  2.1-2.2   3.6=87, 96/4.4=36, 2182/3.0=32, 3.0/1343=25...(7)
      HA3   GLY   57 - H     GLU   54  far    0    65   0   -  7.1-7.3
      HA2   GLY   39 - H     ARG   44  far    0    53   0   -  7.2-7.9
      HA    THR   56 - H     GLU   54  far    0    87   0   -  7.2-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 719 from n15no.peaks (3.83, 8.43, 123.79 ppm; 4.16 A):
    1 out of 6 assignments used, quality = 0.82:
      HA    GLU   54 + H     GLU   54  OK    82    82 100 100  2.8-2.8   3.0=100
      HD2   PRO   97 - H     GLU   54  far    0    69   0   -  5.5-6.4
      HD2   PRO   40 - H     ARG   44  far    0    97   0   -  6.8-7.5
      HD3   PRO   58 - H     GLU   54  far    0    63   0   -  7.6-8.0
      HA    ARG   48 - H     ARG   44  far    0   100   0   -  8.0-9.0
      QA    GLY  128 - H     GLU   54  far    0    81   0   -  9.4-21.4
    Violated in 0 structures by 0.00 A.
 
    Peak 720 from n15no.peaks (4.06, 8.43, 123.79 ppm; 4.19 A):
    2 out of 5 assignments used, quality = 0.96:
      HA    ALA   43 + H     ARG   44  OK    95    95 100 100  3.5-3.6   3.6=100
      HA    ALA   42 + H     ARG   44  OK    32   100  33  99  4.1-4.7   3.6/123=63, 3.0/579=53, 1578/124=44, 5.0/1655=42...(11)
      HA    LEU   68 - H     ARG   44  far    0    99   0   -  6.6-7.9
      HA3   GLY   39 - H     ARG   44  far    0   100   0   -  7.0-7.7
      HA    LEU   96 - H     GLU   54  far    0    80   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 721 from n15no.peaks (4.25, 8.43, 123.79 ppm; 3.52 A):
    1 out of 2 assignments used, quality = 0.68:
      HA    GLU   53 + H     GLU   54  OK    68    69 100  99  2.1-2.2   3.6=96, 3.0/1343=42, 2182/3.0=38, 96/4.4=35...(7)
      HA    THR   56 - H     GLU   54  far    0    81   0   -  7.2-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 722 from n15no.peaks (1.61, 8.43, 123.79 ppm; 3.55 A):
    1 out of 6 assignments used, quality = 1.00:
      QB    ALA   43 + H     ARG   44  OK   100   100 100 100  2.4-2.9   3.5=100
      HG    LEU   45 - H     ARG   44  far    0    99   0   -  4.3-6.1
      QG    ARG   48 - H     ARG   44  far    0    97   0   -  5.7-8.9
      QG    ARG   74 - H     ARG   44  far    0    81   0   -  7.4-8.1
      QB    ALA   95 - H     GLU   54  far    0    81   0   -  7.7-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 724 from n15no.peaks (3.80, 7.97, 117.89 ppm; 3.33 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    VAL  104 + H     VAL  104  OK   100   100 100 100  2.8-2.8   3.0=100
      HD2   PRO  126 - H     GLU  341  far    0    64   0   -  8.0-47.4
      HD2   PRO   97 - H     VAL  104  far    0    90   0   -  8.8-9.1
      HA2   GLY   94 - H     VAL  104  far    0    93   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 725 from n15no.peaks (0.55, 7.97, 117.89 ppm; 4.73 A increased from 4.45 A):
    1 out of 2 assignments used, quality = 0.96:
      QD1   LEU   96 + H     VAL  104  OK    96    96 100 100  3.9-4.6   3591/2.9=90, 3589/728=77, 3356=74, 1609/1676=69...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 726 from n15no.peaks (0.88, 7.97, 117.89 ppm; 2.78 A):
    1 out of 8 assignments used, quality = 0.97:
      QQG   VAL  104 + H     VAL  104  OK    97    97 100  99  1.9-1.9   2.9=89, 1.9/728=60, 1219/637=34, 3583/486=19...(13)
      QD1   LEU  122 - H     VAL  104  far    0    95   0   -  3.1-3.8
      QG2   ILE  100 - H     VAL  104  far    0    87   0   -  3.3-3.5
      QD2   LEU  122 - H     VAL  104  far    0    93   0   -  4.4-5.2
      QD1   ILE  100 - H     VAL  104  far    0   100   0   -  5.0-5.4
      QD2   LEU  122 - H     GLU  341  far    0    75   0   -  8.2-20.9
      QD1   LEU  122 - H     GLU  341  far    0    76   0   -  8.7-21.0
    Violated in 0 structures by 0.00 A.
 
    Peak 727 from n15no.peaks (1.45, 7.97, 117.89 ppm; 4.48 A increased from 3.77 A):
    1 out of 4 assignments used, quality = 0.84:
      QB    ALA   42 + H     GLU   41  OK    84    85 100  99  4.1-4.3   700/4.6=59, 5.9=45, 5.6/736=31, 5.6/733=28...(14)
      QB    ALA  102 - H     VAL  104  far    0   100   0   -  4.7-4.9
      HB3   LEU  118 - H     VAL  104  far    0    83   0   -  5.3-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 728 from n15no.peaks (1.97, 7.97, 117.89 ppm; 2.88 A):
    1 out of 6 assignments used, quality = 0.94:
      HB    VAL  104 + H     VAL  104  OK    94   100 100  94  2.6-2.7   1.9/726=66, 3576=50, 3577/637=27, 3589/725=17...(10)
      HB3   GLN  101 - H     VAL  104  far    0    92   0   -  5.4-5.8
      HB2   PRO  109 - H     VAL  104  far    0    71   0   -  8.2-8.7
      QB    ARG  123 - H     VAL  104  far    0    99   0   -  8.2-10.7
      QB    ARG  123 - H     GLU  341  far    0    82   0   -  9.5-32.1
      HB3   PRO  126 - H     GLU  341  far    0    72   0   -  9.8-51.0
    Violated in 1 structures by 0.00 A.
 
    Peak 729 from n15no.peaks (3.23, 7.96, 118.08 ppm; 4.67 A):
    1 out of 6 assignments used, quality = 0.81:
      QD    ARG  103 + H     VAL  104  OK    81    81 100 100  4.3-4.7   3561=89, 3552/3.6=71, 3.3/3569=68, 3.3/3567=54...(10)
      HD3   PRO   97 - H     VAL  104  far    0    85   0   -  7.1-7.3
      HA    LEU   73 - H     GLU   41  far    0   100   0   -  7.5-8.8
      QD    ARG   46 - H     GLU   41  far    0    85   0   -  7.6-8.8
      QD    ARG  103 - H     GLU  341  far    0    98   0   -  8.7-28.1
      QD    ARG  124 - H     VAL  104  far    0    75   0   -  8.7-15.5
    Violated in 3 structures by 0.00 A.
 
    Peak 730 from n15no.peaks (2.75, 7.96, 118.08 ppm; 4.12 A):
    1 out of 3 assignments used, quality = 0.92:
      QB    PRO   40 + H     GLU   41  OK    92    92 100 100  3.1-3.3   3.7=100
      HB3   TRP   72 - H     GLU   41  far    0    96   0   -  4.9-5.7
      HA    ARG   44 - H     GLU   41  far    0    87   0   -  6.7-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 733 from n15no.peaks (1.81, 7.96, 118.08 ppm; 3.76 A increased from 3.17 A):
    1 out of 7 assignments used, quality = 0.96:
      HB3   GLU   41 + H     GLU   41  OK    96    96 100 100  2.1-3.6   1.8/736=91, 4.0=80, 3.0/734=65, 3.0/735=61...(10)
      HG2   ARG  103 - H     VAL  104  far    0    54   0   -  4.2-5.0
      HB    ILE  100 - H     VAL  104  far    0    83   0   -  5.2-5.5
      HG2   ARG  123 - H     VAL  104  far    0    75   0   -  8.6-12.1
      HB3   ARG  124 - H     GLU  341  far    0    98   0   -  9.5-50.4
      QB    ARG   48 - H     GLU   41  far    0    71   0   -  9.8-10.9
      HB3   ARG   74 - H     GLU   41  far    0    97   0   -  9.8-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 734 from n15no.peaks (2.32, 7.96, 118.08 ppm; 3.34 A):
    1 out of 5 assignments used, quality = 0.79:
      HG2   GLU   41 + H     GLU   41  OK    79   100  83  96  1.9-3.7   1.8/735=65, 26/736=62, 3.0/733=45, 5.0=30...(9)
      QG    GLU  125 - H     GLU  341  far    2    90   3   -  2.9-32.6
      QB    GLN  107 - H     VAL  104  far    0    62   0   -  5.0-7.0
      QG    GLU   99 - H     VAL  104  far    0    68   0   -  6.3-7.1
      QG    GLU  125 - H     VAL  104  far    0    72   0   -  9.0-16.2
    Violated in 4 structures by 0.11 A.
 
    Peak 735 from n15no.peaks (2.20, 7.96, 118.08 ppm; 3.54 A):
    1 out of 1 assignment used, quality = 0.91:
      HG3   GLU   41 + H     GLU   41  OK    91   100  93  98  2.2-3.6   1.8/734=78, 3.0/736=64, 3.0/733=51, 5.0=36...(9)
    Violated in 3 structures by 0.03 A.
 
    Peak 736 from n15no.peaks (2.05, 7.96, 118.08 ppm; 3.00 A):
    1 out of 10 assignments used, quality = 0.89:
      HB2   GLU   41 + H     GLU   41  OK    89   100  98  92  2.1-2.7   1.8/733=47, 26/734=45, 4.0=41, 3.0/735=39...(7)
      HB2   GLU  125 - H     GLU  341  far    0   100   0   -  3.4-49.0
      HB3   PRO   38 - H     GLU   41  far    0    71   0   -  4.4-7.1
      HB2   GLN  101 - H     VAL  104  far    0    85   0   -  5.7-6.0
      QG    PRO   38 - H     GLU   41  far    0    98   0   -  5.7-7.4
      HG3   GLN  101 - H     VAL  104  far    0    85   0   -  6.4-7.1
      QB    GLU   99 - H     VAL  104  far    0    81   0   -  7.2-7.7
      QG    PRO  126 - H     GLU  341  far    0    95   0   -  8.8-32.5
      HB3   PRO   58 - H     VAL  104  far    0    64   0   -  9.8-10.7
      HB3   PRO   97 - H     VAL  104  far    0    64   0   -  9.9-10.2
    Violated in 1 structures by 0.01 A.
 
    Peak 737 from n15no.peaks (4.02, 7.96, 118.08 ppm; 4.12 A increased from 3.88 A):
    1 out of 2 assignments used, quality = 0.74:
      HA    ILE  100 + H     VAL  104  OK    74    79 100  94  3.8-4.2   1617/1676=52, 3455/4.3=45, 5.3/3526=29, 3549/5.6=27...(8)
      HA    ALA   43 - H     GLU   41  far    0    68   0   -  6.7-7.3
    Violated in 3 structures by 0.01 A.
 
    Peak 738 from n15no.peaks (3.58, 7.97, 117.89 ppm; 3.97 A):
    1 out of 2 assignments used, quality = 0.90:
      HA    GLN  101 + H     VAL  104  OK    90    90 100  99  3.5-3.8   3526=69, 516/637=51, 244/486=47, 3597/2.9=36...(12)
      HD3   PRO  109 - H     VAL  104  far    0    78   0   -  6.1-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 739 from n15no.peaks (4.18, 7.97, 117.89 ppm; 3.61 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    ARG  103 + H     VAL  104  OK   100   100 100 100  3.5-3.6   3.6=100
      HA    GLU   99 - H     VAL  104  far    0    65   0   -  7.0-7.4
      HA    LEU  118 - H     VAL  104  far    0    93   0   -  7.8-8.5
      HA    PRO   98 - H     VAL  104  far    0    89   0   -  7.9-8.2
      HA    LEU  118 - H     GLU  341  far    0    75   0   -  9.9-50.2
    Violated in 0 structures by 0.00 A.
 
    Peak 740 from n15no.peaks (4.71, 7.86, 120.30 ppm; 4.28 A):
    1 out of 1 assignment used, quality = 0.79:
      HA    PRO   40 + H     ALA   43  OK    79    89 100  89  3.3-3.8   1631/2.9=78, 5.3/129=34, 7.5/698=19, 10/695=12
    Violated in 0 structures by 0.00 A.
 
    Peak 741 from n15no.peaks (3.82, 8.37, 112.28 ppm; 4.08 A):
    1 out of 1 assignment used, quality = 0.87:
      HA    ARG   48 + H     ARG   48  OK    87    87 100 100  2.8-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 742 from n15no.peaks (3.28, 8.37, 112.28 ppm; 4.29 A increased from 4.03 A):
    1 out of 3 assignments used, quality = 1.00:
      HB2   PHE   47 + H     ARG   48  OK   100   100 100 100  4.0-4.3   4.6=79, 1.8/743=76, 2.4/137=62, 674/132=57...(10)
      HB2   PHE   50 - H     ARG   48  far    0    89   0   -  5.1-5.8
      QD    ARG   46 - H     ARG   48  far    0    78   0   -  5.5-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 743 from n15no.peaks (3.04, 8.37, 112.28 ppm; 4.33 A):
    1 out of 1 assignment used, quality = 0.98:
      HB3   PHE   47 + H     ARG   48  OK    98    98 100 100  2.7-3.2   4.6=82, 1.8/742=78, 2.4/137=63, 675/132=59...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 744 from n15no.peaks (2.85, 8.37, 112.28 ppm; 4.50 A increased from 4.23 A):
    1 out of 2 assignments used, quality = 1.00:
      QD    ARG   48 + H     ARG   48  OK   100   100 100 100  2.9-4.4   2.1/747=84, 1173/2.9=77, 5.2=66, 5.6/138=42...(10)
      HB3   HIS   51 - H     ARG   48  far    0    63   0   -  9.5-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 745 from n15no.peaks (2.75, 8.37, 112.28 ppm; 4.69 A):
    1 out of 3 assignments used, quality = 0.83:
      HA    ARG   44 + H     ARG   48  OK    83    87 100  96  3.8-4.7   676/132=59, 1810/742=44, 5.4/1958=42, 1809/743=38...(7)
      HB3   TRP   72 - H     ARG   48  far    0    96   0   -  7.3-8.2
      QB    PRO   40 - H     ARG   48  far    0    92   0   -  9.7-10.3
    Violated in 2 structures by 0.00 A.
 
    Peak 746 from n15no.peaks (1.79, 8.37, 112.28 ppm; 3.62 A):
    1 out of 3 assignments used, quality = 0.96:
      QB    ARG   48 + H     ARG   48  OK    96    96 100 100  2.1-2.5   3.2=100
      HG    LEU   87 - H     ARG   48  far    0    93   0   -  7.7-8.5
      HB3   GLU   41 - H     ARG   48  far    0   100   0   -  9.0-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 747 from n15no.peaks (1.62, 8.37, 112.28 ppm; 4.03 A increased from 3.58 A):
    1 out of 5 assignments used, quality = 0.99:
      QG    ARG   48 + H     ARG   48  OK    99    99 100 100  1.9-4.1   4.3=82, 2.1/744=60, 4.3/138=49, ~1173=38...(13)
      QG    ARG   46 - H     ARG   48  far    0    76   0   -  4.4-6.2
      HG    LEU   45 - H     ARG   48  far    0    98   0   -  5.3-7.0
      QB    ALA   43 - H     ARG   48  far    0    92   0   -  6.1-6.7
      QB    ALA   95 - H     ARG   48  far    0    96   0   -  7.1-7.7
    Violated in 2 structures by 0.00 A.
 
    Peak 748 from n15no.peaks (0.73, 8.37, 112.28 ppm; 5.19 A increased from 4.88 A):
    1 out of 4 assignments used, quality = 0.94:
      QD2   LEU   45 + H     ARG   48  OK    94   100  95  99  4.5-5.3   1954=86, 764/1958=72, 6.7/745=37, 7.6/136=30...(8)
      QD1   LEU   65 - H     ARG   48  far    0    76   0   -  7.7-8.3
      QD1   LEU   87 - H     ARG   48  far    0    98   0   -  7.9-8.8
      QD1   LEU   84 - H     ARG   48  far    0    98   0   -  9.5-10.4
    Violated in 1 structures by 0.01 A.
 
    Peak 749 from n15no.peaks (3.26, 7.99, 115.01 ppm; 3.42 A):
    1 out of 3 assignments used, quality = 0.63:
      HA    LEU   73 + H     LEU   73  OK    63    63 100 100  2.8-2.9   3.0=100
      HB2   PHE   47 - H     LEU   73  far    0    97   0   -  6.7-7.6
      QD    ARG   46 - H     LEU   73  far    0    98   0   -  9.3-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 750 from n15no.peaks (2.76, 7.99, 115.01 ppm; 3.98 A increased from 3.75 A):
    1 out of 3 assignments used, quality = 0.99:
      HB3   TRP   72 + H     LEU   73  OK    99   100 100  99  2.5-3.9   4.2=84, 228/315=57, 3.8/316=42, 2634/1936=29...(12)
      QB    PRO   40 - H     LEU   73  far    0    63   0   -  4.6-5.4
      HD3   ARG   78 - H     LEU   73  far    0    99   0   -  9.8-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 751 from n15no.peaks (2.14, 7.99, 115.01 ppm; 4.58 A):
    0 out of 5 assignments used, quality = 0.00:
      QB    GLN   71 + H     LEU   73  far    0   100   0   -  5.1-5.9
      HB2   LEU   68 + H     LEU   73  far    0    68   0   -  7.1-9.0
      HG3   PRO   40 + H     LEU   73  far    0    68   0   -  7.1-8.1
      HG3   MET   83 + H     LEU   73  far    0    95   0   -  7.5-7.9
      QB    GLU   67 + H     LEU   73  far    0    92   0   -  8.8-9.4
    Violated in 20 structures by 0.52 A.
 
    Peak 752 from n15no.peaks (1.25, 7.99, 115.01 ppm; 3.57 A):
    2 out of 2 assignments used, quality = 1.00:
      HB2   LEU   73 + H     LEU   73  OK   100   100 100 100  3.5-3.6   3.8=81, 1.8/753=71, 3.1/1928=52, 3.0/1936=45...(21)
     ?HB3   LEU   73 + H     LEU   73  OK    84    92 100  92  2.4-2.6   1907=37, 235/3.0=32, 1920/1928=32, 998/290=28...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 753 from n15no.peaks (0.97, 7.99, 115.01 ppm; 3.64 A):
    1 out of 2 assignments used, quality = 1.00:
     ?HB3   LEU   73 + H     LEU   73  OK   100   100 100 100  2.4-2.6   1919/1928=79, 1906=78, 2649/3.0=73, 1900/3.8=68...(11)
      QD2   LEU   68 - H     LEU   73  far    0   100   0   -  6.6-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 754 from n15no.peaks (0.79, 7.99, 115.01 ppm; 3.40 A):
    2 out of 3 assignments used, quality = 0.99:
      HG    LEU   73 + H     LEU   73  OK    97   100  98 100  1.5-2.8   2.1/1928=60, 1936=54, 3.0/753=49, 2.1/1789=47...(23)
     ?HB3   LEU   73 + H     LEU   73  OK    71    98 100  73  2.4-2.6   236/3.0=30, 1931/1789=23, 1003/290=19, 2636/4.2=18...(7)
      QD1   LEU   45 - H     LEU   73  far    0    65   0   -  8.4-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 755 from n15no.peaks (0.27, 7.99, 115.01 ppm; 3.80 A):
    2 out of 3 assignments used, quality = 0.99:
      QD1   LEU   73 + H     LEU   73  OK    98    98 100 100  1.8-2.7   1928=98, 2.1/1789=60, 2.1/1936=60, 3.1/753=58...(24)
     ?HB3   LEU   73 + H     LEU   73  OK    23    38 100  60  2.4-2.6   237/3.0=19, 1777/1789=18, 1002/290=17, 1915/1936=16...(6)
      HB3   ARG   44 - H     LEU   73  far    0    76   0   -  5.1-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 756 from n15no.peaks (4.14, 8.03, 115.23 ppm; 5.06 A increased from 4.50 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PHE   50 + H     CYS   49  OK   100   100 100 100  4.6-5.0   3.0/141=94, 5.8=66, 3.0/2026=59, 3.0/2025=54...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 757 from n15no.peaks (4.00, 8.03, 115.23 ppm; 4.10 A):
    1 out of 2 assignments used, quality = 0.74:
      HA    ARG   46 + H     CYS   49  OK    74    83 100  89  3.2-3.7   2003/761=43, 2002/760=39, 771/141=37, 5.4/759=27...(6)
      HA    PHE   92 - H     CYS   49  far    0    99   0   -  9.1-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 758 from n15no.peaks (3.86, 8.03, 115.23 ppm; 4.46 A):
    1 out of 1 assignment used, quality = 0.76:
      HA    ARG   48 + H     CYS   49  OK    76    76 100 100  3.3-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 759 from n15no.peaks (3.75, 8.03, 115.23 ppm; 5.12 A increased from 4.31 A):
    1 out of 2 assignments used, quality = 0.93:
      HA    LEU   45 + H     CYS   49  OK    93    98 100  94  4.2-5.2   1958/138=72, 5.4/757=54, 748/4.3=23, 103/7.1=21...(6)
      HA3   GLY   94 - H     CYS   49  far    0   100   0   -  9.6-10.6
    Violated in 3 structures by 0.00 A.
 
    Peak 760 from n15no.peaks (3.08, 8.03, 115.23 ppm; 3.65 A):
    1 out of 1 assignment used, quality = 0.99:
      HB2   CYS   49 + H     CYS   49  OK    99   100 100  99  2.3-3.6   1.8/761=79, 4.1=73, 773/141=41, 2002/757=28...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 761 from n15no.peaks (2.89, 8.03, 115.23 ppm; 3.43 A):
    1 out of 2 assignments used, quality = 0.96:
      HB3   CYS   49 + H     CYS   49  OK    96   100 100  97  2.2-2.9   1.8/760=65, 4.1=60, 4.7/141=32, 2003/757=25...(9)
      HB3   HIS   51 - H     CYS   49  far    0    95   0   -  7.4-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 762 from n15no.peaks (1.81, 8.03, 115.23 ppm; 3.83 A):
    1 out of 1 assignment used, quality = 0.71:
      QB    ARG   48 + H     CYS   49  OK    71    71 100 100  2.7-3.3   3.9=98, 3.2/138=61, 6.1/761=24, 6.1/760=24...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 763 from n15no.peaks (1.62, 8.03, 115.23 ppm; 4.57 A increased from 4.06 A):
    1 out of 5 assignments used, quality = 0.99:
      QG    ARG   48 + H     CYS   49  OK    99    99 100 100  3.8-4.6   4.3=100
      QG    ARG   46 - H     CYS   49  far    0    76   0   -  4.9-5.6
      HG    LEU   45 - H     CYS   49  far    0    98   0   -  5.2-7.6
      QB    ALA   95 - H     CYS   49  far    0    96   0   -  6.0-6.9
      QB    ALA   43 - H     CYS   49  far    0    92   0   -  7.2-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 764 from n15no.peaks (1.97, 8.13, 115.07 ppm; 3.15 A):
    0 out of 4 assignments used, quality = 0.00:
      HB2   LEU   65 + H     LEU   93  far    0    85   0   -  7.6-8.3
      HB    VAL  104 + H     LEU   93  far    0   100   0   -  8.0-8.5
      HB3   GLN  101 + H     LEU   93  far    0    92   0   -  8.5-9.1
      HB2   PRO  109 + H     LEU   93  far    0    71   0   -  9.1-9.6
    Violated in 20 structures by 3.63 A.
 
    Peak 765 from n15no.peaks (1.36, 8.13, 115.07 ppm; 3.63 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LEU   93 + H     LEU   93  OK   100   100 100 100  2.2-3.5   3282=84, 1.8/3281=63, 3.1/767=52, 3.1/3300=45...(19)
      HB3   LEU   65 - H     LEU   93  far    0    92   0   -  7.4-8.2
      HG    LEU   62 - H     LEU   93  far    0    60   0   -  7.6-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 766 from n15no.peaks (0.92, 8.13, 115.07 ppm; 4.27 A increased from 3.60 A):
    1 out of 6 assignments used, quality = 0.96:
      QD1   LEU   93 + H     LEU   93  OK    96    96 100 100  3.7-4.2   3300=96, 2.1/767=85, 3.1/765=71, 877/3.0=65...(18)
      QG1   VAL   88 - H     LEU   93  far    0    90   0   -  4.9-5.6
      HB3   LEU   96 - H     LEU   93  far    0   100   0   -  6.6-7.4
      QD1   LEU  118 - H     LEU   93  far    0    98   0   -  7.1-7.7
      QG2   ILE  100 - H     LEU   93  far    0    76   0   -  7.2-7.6
      QD2   LEU  118 - H     LEU   93  far    0    99   0   -  8.3-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 767 from n15no.peaks (0.78, 8.13, 115.07 ppm; 3.71 A increased from 3.49 A):
    1 out of 2 assignments used, quality = 0.83:
      QD2   LEU   93 + H     LEU   93  OK    83    85  98 100  2.6-3.7   3294=66, 2.1/3300=58, 3.1/765=56, 881/3.0=55...(19)
      QD1   LEU   65 - H     LEU   93  far    0    71   0   -  4.9-5.7
    Violated in 4 structures by 0.01 A.
 
    Peak 768 from n15no.peaks (0.56, 8.13, 115.07 ppm; 4.53 A):
    1 out of 1 assignment used, quality = 0.72:
      QD1   LEU   96 + H     LEU   93  OK    72    85  85 100  4.2-4.9   3332/3.0=71, 3318/767=61, 3357=61, 148/440=53...(15)
    Violated in 3 structures by 0.04 A.
 
    Peak 769 from n15no.peaks (4.14, 6.89, 122.73 ppm; 3.41 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    PHE   50 + H     PHE   50  OK   100   100 100 100  2.8-2.8   3.0=100
      HA    GLN   64 - H     PHE   50  far    0    73   0   -  9.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 770 from n15no.peaks (3.85, 6.89, 122.73 ppm; 4.56 A):
    1 out of 1 assignment used, quality = 0.88:
      HA    ARG   48 + H     PHE   50  OK    88    90 100  97  3.4-3.8   3.6/141=76, 1997=57, 6.0/773=34, 6.0/774=34...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 771 from n15no.peaks (4.00, 6.89, 122.73 ppm; 5.41 A increased from 4.81 A):
    1 out of 2 assignments used, quality = 0.82:
      HA    ARG   46 + H     PHE   50  OK    82    83 100  98  4.8-5.4   757/141=85, 2002/773=60, 2003/4.7=59, 7.9/770=30
      HA    PHE   92 - H     PHE   50  far    0    99   0   -  7.3-8.2
    Violated in 1 structures by 0.00 A.
 
    Peak 772 from n15no.peaks (3.26, 6.89, 122.73 ppm; 3.24 A):
    1 out of 3 assignments used, quality = 0.98:
      HB2   PHE   50 + H     PHE   50  OK    98   100 100  98  2.4-2.7   1.8/775=68, 2021=67, 2359/779=28, 781/4.6=22...(10)
      HB2   PHE   47 - H     PHE   50  far    0    97   0   -  5.2-5.9
      QD    ARG   46 - H     PHE   50  far    0    98   0   -  6.8-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 773 from n15no.peaks (3.08, 6.89, 122.73 ppm; 4.36 A):
    1 out of 3 assignments used, quality = 1.00:
      HB2   CYS   49 + H     PHE   50  OK   100   100 100 100  3.9-4.2   4.7=82, 1.8/774=77, 760/141=70, 2002/771=31...(8)
      HB3   PHE   92 - H     PHE   50  far    0    65   0   -  8.6-9.6
      HB2   PHE   92 - H     PHE   50  far    0    73   0   -  9.7-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 774 from n15no.peaks (2.86, 6.89, 122.73 ppm; 4.39 A):
    1 out of 3 assignments used, quality = 0.76:
      HB3   CYS   49 + H     PHE   50  OK    76    76 100 100  3.2-3.5   4.7=84, 1.8/773=78, 4.1/141=64, 6.0/770=30...(8)
      QD    ARG   48 - H     PHE   50  far    0    85   0   -  5.0-6.8
      HB3   HIS   51 - H     PHE   50  far    0    93   0   -  5.8-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 775 from n15no.peaks (2.62, 6.89, 122.73 ppm; 3.30 A):
    1 out of 3 assignments used, quality = 0.97:
      HB3   PHE   50 + H     PHE   50  OK    97    99 100  98  2.4-2.6   1.8/772=72, 2017=69, 2370/779=29, ~81=22...(9)
      HD3   ARG   44 - H     PHE   50  far    0    95   0   -  9.2-11.5
      HB2   CYS   69 - H     PHE   50  far    0    83   0   -  9.4-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 776 from n15no.peaks (1.84, 6.89, 122.73 ppm; 4.64 A):
    1 out of 1 assignment used, quality = 0.52:
      HG2   GLN   91 + H     PHE   50  OK    52   100  93  56  3.8-4.6   3214/779=54, 3310/777=4
    Violated in 0 structures by 0.00 A.
 
    Peak 777 from n15no.peaks (1.62, 6.89, 122.73 ppm; 5.21 A increased from 4.39 A):
    2 out of 4 assignments used, quality = 1.00:
      QB    ALA   95 + H     PHE   50  OK   100   100 100 100  4.6-5.2   278/4.6=74, 2008/775=71, 1711/779=62, 2012/772=61...(12)
      QG    ARG   48 + H     PHE   50  OK    42   100  43  99  4.9-5.6   4.3/141=78, 3.4/770=74, 6.9/773=37, 6.9/774=37...(7)
      HG    LEU   45 - H     PHE   50  far    0   100   0   -  7.4-9.8
      QB    ALA   43 - H     PHE   50  far    0    99   0   -  8.1-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 778 from n15no.peaks (1.05, 6.89, 122.73 ppm; 5.00 A increased from 4.71 A):
    1 out of 1 assignment used, quality = 0.87:
      QD1   LEU   68 + H     PHE   50  OK    87   100  88 100  3.9-5.0   2509=83, 2013/772=70, 2009/775=67, 2510/4.6=66
    Violated in 1 structures by 0.00 A.
 
    Peak 779 from n15no.peaks (0.60, 6.89, 122.73 ppm; 4.28 A):
    1 out of 2 assignments used, quality = 0.92:
      QD2   LEU   65 + H     PHE   50  OK    92   100  93  99  3.8-4.2   2359/772=64, 2370/775=64, 281/4.6=53, 2035/3.0=51...(8)
      HG2   ARG   44 - H     PHE   50  far    0   100   0   -  8.2-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 781 from n15no.peaks (3.26, 7.72, 126.92 ppm; 4.34 A):
    1 out of 4 assignments used, quality = 1.00:
      HB2   PHE   50 + H     HIS   51  OK   100   100 100 100  4.0-4.1   3.0/796=86, 4.6=84, 2.5/142=77, 772/4.6=53...(10)
      HB2   PHE   47 - H     HIS   51  far    0    89   0   -  8.3-9.6
      QD    ARG   46 - H     HIS   51  far    0   100   0   -  9.5-10.8
      HD3   PRO   97 - H     HIS   51  far    0    83   0   -  9.9-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 782 from n15no.peaks (2.96, 7.72, 126.92 ppm; 3.89 A increased from 3.66 A):
    1 out of 1 assignment used, quality = 0.99:
      HB2   HIS   51 + H     HIS   51  OK    99    99 100 100  3.7-3.8   2057=96, 1.8/784=82, 790/4.6=39, 2041/796=31...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 784 from n15no.peaks (2.89, 7.72, 126.92 ppm; 3.58 A):
    1 out of 2 assignments used, quality = 0.93:
      HB3   HIS   51 + H     HIS   51  OK    93    95 100  98  2.5-2.7   4.0=72, 1.8/782=64, 2038/796=34, 2054/4.6=28...(10)
      HB3   CYS   49 - H     HIS   51  far    0   100   0   -  6.0-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 785 from n15no.peaks (2.62, 7.72, 126.92 ppm; 4.59 A):
    1 out of 1 assignment used, quality = 0.99:
      HB3   PHE   50 + H     HIS   51  OK    99    99 100 100  3.9-4.1   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 786 from n15no.peaks (2.27, 7.72, 126.92 ppm; 5.12 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   GLN   64 + H     HIS   51  far    0    97   0   -  6.7-7.1
      QG    GLU   54 + H     HIS   51  far    0    98   0   -  9.5-10.5
    Violated in 20 structures by 1.71 A.
 
    Peak 787 from n15no.peaks (1.61, 7.72, 126.92 ppm; 5.08 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    ALA   95 + H     HIS   51  OK   100   100 100 100  4.0-4.4   1718/3.0=90, 1722/142=79, 1727/4.6=68, 2046/784=58...(12)
      QG    ARG   48 - H     HIS   51  far    0    99   0   -  8.3-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 788 from n15no.peaks (4.10, 8.30, 125.12 ppm; 3.68 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    TYR   52 + H     TYR   52  OK   100   100 100 100  2.8-2.9   3.0=100
      HD2   PRO   58 - H     TYR   52  far    0   100   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 789 from n15no.peaks (3.82, 8.30, 125.12 ppm; 5.50 A increased from 5.06 A):
    1 out of 5 assignments used, quality = 1.00:
      HD2   PRO   97 + H     TYR   52  OK   100   100 100 100  4.3-5.5   40/4.6=82, 2061/791=78, 5.9/1727=58, ~3382=54...(6)
      HA2   GLY   94 - H     TYR   52  far    0    63   0   -  7.9-8.4
      HA    GLU   54 - H     TYR   52  far    0    92   0   -  8.1-8.4
      HD3   PRO   98 - H     TYR   52  far    0    85   0   -  8.7-9.6
      HA    ARG   48 - H     TYR   52  far    0    87   0   -  8.9-9.5
    Violated in 1 structures by 0.00 A.
 
    Peak 790 from n15no.peaks (2.95, 8.30, 125.12 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 0.95:
      HB2   HIS   51 + H     TYR   52  OK    95    96 100  99  3.1-3.3   3.0/151=70, 2058=69, 1.8/2054=62, 782/4.6=38...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 791 from n15no.peaks (2.79, 8.30, 125.12 ppm; 3.24 A):
    1 out of 1 assignment used, quality = 0.98:
      QB    TYR   52 + H     TYR   52  OK    98   100 100  98  2.2-2.2   3.4=86, 2.1/149=38, 1713/1727=36, ~41=24...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 792 from n15no.peaks (1.61, 8.30, 125.12 ppm; 3.69 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    ALA   95 + H     TYR   52  OK   100   100 100 100  1.9-2.4   1727=100, 1718/151=54, 1713/791=53, 1717/3.0=47...(15)
      QG    ARG   48 - H     TYR   52  far    0    99   0   -  9.1-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 793 from n15no.peaks (1.86, 8.30, 125.12 ppm; 5.50 A increased from 5.22 A):
    1 out of 2 assignments used, quality = 0.56:
      HG    LEU   96 + H     TYR   52  OK    56    97  60  96  5.2-6.1   3310/1727=61, ~1749=57, ~2060=54, 5.8/789=45
      HG2   GLN   91 - H     TYR   52  far    0    71   0   -  6.5-8.2
    Violated in 15 structures by 0.13 A.
 
    Peak 794 from n15no.peaks (2.02, 8.30, 125.12 ppm; 5.36 A):
    0 out of 4 assignments used, quality = 0.00:
      HB3   PRO   97 + H     TYR   52  far    0    93   0   -  6.4-7.6
      QB    GLU   54 + H     TYR   52  far    0   100   0   -  8.0-8.8
      HB3   GLU   60 + H     TYR   52  far    0    90   0   -  9.7-12.1
      HG    LEU   93 + H     TYR   52  far    0    73   0   -  9.7-10.5
    Violated in 20 structures by 1.38 A.
 
    Peak 795 from n15no.peaks (2.22, 8.30, 125.12 ppm; 5.21 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 796 from n15no.peaks (4.14, 7.72, 126.92 ppm; 2.93 A):
    1 out of 2 assignments used, quality = 0.92:
      HA    PHE   50 + H     HIS   51  OK    92   100 100  92  2.2-2.2   2029=71, 81/75=31, 3.0/781=26, 2038/784=19...(8)
      HA    GLN   64 - H     HIS   51  far    0    73   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 797 from n15no.peaks (7.29, 8.45, 126.41 ppm; 5.13 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    PHE   50 + H     GLU   53  OK   100   100 100 100  3.7-4.7   72/3.6=83, 262/4.0=72, 60/61=68, 266/1672=58...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 798 from n15no.peaks (4.23, 8.45, 126.41 ppm; 3.86 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    GLU   53 + H     GLU   53  OK   100   100 100 100  2.9-2.9   3.0=100
      HA    THR   56 - H     GLU   53  far    0    78   0   -  6.5-7.1
      HA3   GLY   57 - H     GLU   53  far    0    76   0   -  6.7-7.0
      HA    GLU   60 - H     GLU   53  far    0    99   0   -  8.1-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 799 from n15no.peaks (4.10, 8.45, 126.41 ppm; 3.31 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    TYR   52 + H     GLU   53  OK   100   100 100 100  2.1-2.2   2073=100, 41/61=46, 2084/2093=34, 2071/797=21...(7)
      HD2   PRO   58 - H     GLU   53  far    0    96   0   -  6.7-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 800 from n15no.peaks (2.79, 8.45, 126.41 ppm; 4.36 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    TYR   52 + H     GLU   53  OK    99    99 100 100  3.7-3.8   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 801 from n15no.peaks (2.16, 8.45, 126.41 ppm; 4.00 A):
    1 out of 2 assignments used, quality = 1.00:
      QG    GLU   53 + H     GLU   53  OK   100   100 100 100  1.9-2.0   2093=100, 96/3.0=74, 2.5/2095=73, 2.5/2097=70...(15)
      HB3   GLN   64 - H     GLU   53  far    0    90   0   -  8.8-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 802 from n15no.peaks (1.97, 8.45, 126.41 ppm; 4.02 A):
    1 out of 3 assignments used, quality = 1.00:
      HB2   GLU   53 + H     GLU   53  OK   100   100 100 100  3.6-3.7   3.9=100
      QB    ARG  123 - H     GLU   53  far    0   100   0   -  8.7-10.8
      HB2   LEU   65 - H     GLU   53  far    0    68   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 803 from n15no.peaks (1.80, 8.45, 126.41 ppm; 3.84 A):
    1 out of 3 assignments used, quality = 0.97:
      HB3   GLU   53 + H     GLU   53  OK    97    97 100 100  3.3-3.6   3.9=97, 1.8/2097=76, 2.5/2093=73, ~96=31...(10)
      HG2   ARG  123 - H     GLU   53  far    0    81   0   -  8.9-10.7
      HB    ILE  100 - H     GLU   53  far    0    93   0   -  9.0-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 804 from n15no.peaks (2.78, 8.39, 120.25 ppm; 3.10 A):
    1 out of 2 assignments used, quality = 0.65:
      HB2   ASP  120 + H     ASP  120  OK    65    68 100  95  2.2-2.4   1.8/1494=65, 1496=52, 4.6/597=26, 3900/625=18...(11)
      QB    TYR   52 - H     ASP  120  far    0    99   0   -  8.6-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 805 from n15no.peaks (2.27, 8.39, 120.25 ppm; 3.27 A):
    2 out of 5 assignments used, quality = 0.83:
      HG2   PRO   58 + H     ASP  120  OK    66    96  93  75  2.7-3.9   1489/1496=30, 1486/1494=28, 1755/806=21, 3890/624=17...(7)
      HB    VAL  119 + H     ASP  120  OK    49   100  50  98  2.4-3.8   2.1/806=54, 3968=51, 2.1/807=44, 3967/599=42...(11)
      QG    GLU   54 - H     ASP  120  far    0    98   0   -  6.6-7.4
      QB    GLN  107 - H     ASP  120  far    0    68   0   -  8.4-9.7
      HG2   PRO   97 - H     ASP  120  far    0    97   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 806 from n15no.peaks (0.98, 8.39, 120.25 ppm; 3.71 A):
    1 out of 1 assignment used, quality = 1.00:
      QG2   VAL  119 + H     ASP  120  OK   100   100 100 100  2.0-3.0   3981=82, 2.1/807=58, 2.1/3968=58, 1761/2.9=52...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 807 from n15no.peaks (1.09, 8.39, 120.25 ppm; 4.17 A increased from 3.92 A):
    1 out of 1 assignment used, quality = 1.00:
      QG1   VAL  119 + H     ASP  120  OK   100   100 100 100  3.9-4.0   3970=94, 2.1/806=82, 3969/599=77, 2.1/3968=71...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 808 from n15no.peaks (2.01, 8.40, 119.93 ppm; 3.74 A):
    1 out of 3 assignments used, quality = 0.97:
      QB    GLU   54 + H     ALA   55  OK    97   100 100  97  2.9-3.1   4.0=82, 2115/3.0=43, 5.8/810=22, ~2117=22...(8)
      HB3   GLU   60 - H     ALA   55  far    0    98   0   -  7.5-9.2
      HB3   PRO   97 - H     ALA   55  far    0    81   0   -  9.0-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 809 from n15no.peaks (2.28, 8.40, 119.93 ppm; 4.33 A increased from 3.65 A):
    1 out of 5 assignments used, quality = 0.90:
      QG    GLU   54 + H     ALA   55  OK    90    92  98 100  2.3-4.4   4.3=100
      QG    GLU  125 - H     ALA   55  far    0    71   0   -  6.9-16.6
      HG2   PRO   97 - H     ALA   55  far    0   100   0   -  8.5-10.7
      HB    VAL  119 - H     ALA   55  far    0    98   0   -  8.9-11.0
      HG2   PRO   58 - H     ALA   55  far    0    87   0   -  9.1-9.8
    Violated in 1 structures by 0.00 A.
 
    Peak 810 from n15no.peaks (1.81, 8.40, 119.93 ppm; 4.62 A):
    1 out of 3 assignments used, quality = 0.72:
      HB3   GLU   53 + H     ALA   55  OK    72    73 100  98  2.7-3.0   3.0/3905=57, ~1709=56, 5.8/808=41, 2081/812=39...(8)
      HG2   ARG  123 - H     ALA   55  far    0    99   0   -  7.6-9.6
      HB3   ARG  124 - H     ALA   55  far    0    90   0   -  9.9-14.3
    Violated in 0 structures by 0.00 A.
 
    Peak 811 from n15no.peaks (1.43, 8.40, 119.93 ppm; 3.08 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    ALA   55 + H     ALA   55  OK   100   100 100 100  2.0-2.2   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 812 from n15no.peaks (1.30, 8.40, 119.93 ppm; 4.48 A):
    1 out of 1 assignment used, quality = 0.81:
      QG2   THR   56 + H     ALA   55  OK    81    83 100  98  4.0-4.4   4.0/153=60, 1764/3.6=40, 6.3=37, 2081/810=35...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 813 from n15no.peaks (3.84, 7.72, 110.06 ppm; 4.89 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    GLU   54 + H     THR   56  OK   100   100 100 100  3.7-3.9   2186=96, 3.6/153=75, 4.8/1707=63, 821/4.6=59...(10)
      HD3   PRO   58 - H     THR   56  far    0    81   0   -  6.7-6.8
      HD2   PRO   97 - H     THR   56  far    0    87   0   -  9.4-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 814 from n15no.peaks (2.16, 7.72, 110.06 ppm; 4.17 A):
    1 out of 1 assignment used, quality = 1.00:
      QG    GLU   53 + H     THR   56  OK   100   100 100 100  3.6-4.0   2091=94, 2078/818=54, 2.5/816=53, 2.5/2096=53...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 815 from n15no.peaks (1.99, 7.72, 110.06 ppm; 4.86 A increased from 4.32 A):
    1 out of 4 assignments used, quality = 0.95:
      HB2   GLU   53 + H     THR   56  OK    95    95 100 100  4.2-4.7   2096=94, 2.5/814=84, 1.8/816=80, 2082/818=59...(7)
      HB3   GLU   60 - H     THR   56  far    0    87   0   -  5.1-6.6
      QB    ARG  123 - H     THR   56  far    0    95   0   -  8.4-9.7
      HB3   PRO  126 - H     THR   56  far    0   100   0   - 10.0-21.1
    Violated in 0 structures by 0.00 A.
 
    Peak 816 from n15no.peaks (1.79, 7.72, 110.06 ppm; 4.83 A):
    1 out of 1 assignment used, quality = 1.00:
      HB3   GLU   53 + H     THR   56  OK   100   100 100 100  2.5-2.9   2.5/814=83, 2094=83, 1.8/2096=79, 2081/818=66...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 817 from n15no.peaks (1.44, 7.72, 110.06 ppm; 3.53 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    ALA   55 + H     THR   56  OK    99    99 100 100  2.7-2.9   1707=99, 2.9/153=50, 2106/3.0=42, 1709/2096=28...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 818 from n15no.peaks (1.29, 7.72, 110.06 ppm; 3.77 A):
    1 out of 1 assignment used, quality = 0.99:
      QG2   THR   56 + H     THR   56  OK    99    99 100 100  2.1-2.4   4.0=84, 704/3.0=67, 2.1/2119=60, 2078/814=40...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 819 from n15no.peaks (4.28, 7.62, 108.98 ppm; 3.42 A increased from 3.04 A):
    1 out of 3 assignments used, quality = 0.64:
      HA    THR   56 + H     GLY   57  OK    64    65 100  98  3.4-3.4   3.6=87, 3.2/827=42, 110/4.3=27, 4.6/826=25...(10)
      HB    THR   56 - H     GLY   57  far    0    97   0   -  3.9-4.1
      HA    ALA   55 - H     GLY   57  far    0   100   0   -  4.1-4.4
    Violated in 2 structures by 0.00 A.
 
    Peak 820 from n15no.peaks (4.22, 7.62, 108.98 ppm; 3.02 A):
    1 out of 3 assignments used, quality = 0.97:
      HA3   GLY   57 + H     GLY   57  OK    97    97 100 100  2.9-2.9   2.9=100
      HA    GLU   53 - H     GLY   57  far    0    93   0   -  5.4-5.5
      HA    GLU   60 - H     GLY   57  far    0   100   0   -  7.2-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 821 from n15no.peaks (3.83, 7.62, 108.98 ppm; 3.90 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    GLU   54 + H     GLY   57  OK    99   100 100  99  2.8-2.9   2.5/822=51, 2185=49, 3.3/825=37, 2183/400=34...(12)
      HD3   PRO   58 - H     GLY   57  far    0    93   0   -  4.6-4.7
      HD2   PRO   97 - H     GLY   57  far    0    97   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 822 from n15no.peaks (2.00, 7.62, 108.98 ppm; 4.58 A increased from 4.31 A):
    1 out of 5 assignments used, quality = 0.87:
      QB    GLU   54 + H     GLY   57  OK    87    87 100 100  4.2-4.5   2.5/821=82, 2.1/825=64, 5.1/826=42, 4.8/2124=34...(11)
      HB3   GLU   60 - H     GLY   57  far    5   100   5   -  4.4-5.9
      HB2   GLU   53 - H     GLY   57  far    0    68   0   -  5.8-6.1
      QB    ARG  123 - H     GLY   57  far    0    68   0   -  7.2-8.5
      HB3   PRO  126 - H     GLY   57  far    0    87   0   -  9.0-19.9
    Violated in 0 structures by 0.00 A.
 
    Peak 823 from n15no.peaks (2.14, 7.62, 108.98 ppm; 4.65 A increased from 4.13 A):
    2 out of 2 assignments used, quality = 0.90:
      HB2   GLU   60 + H     GLY   57  OK    79    87  95  95  4.4-5.2   2236/827=56, 2107/3.6=55, 3.0/824=50, 4.0/398=43
      QG    GLU   53 + H     GLY   57  OK    51    98  53  99  4.6-4.9   2078/827=63, 2103/4.3=58, 2091/4.6=52, 2085/821=43...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 824 from n15no.peaks (2.36, 7.62, 108.98 ppm; 5.50 A increased from 4.75 A):
    1 out of 1 assignment used, quality = 0.91:
      HG3   GLU   60 + H     GLY   57  OK    91    99  93 100  5.4-5.8   2229/827=82, 2105/4.3=71, 2108/3.6=68, 2239/398=54
    Violated in 17 structures by 0.05 A.
 
    Peak 825 from n15no.peaks (2.29, 7.62, 108.98 ppm; 5.06 A increased from 4.76 A):
    1 out of 6 assignments used, quality = 0.78:
      QG    GLU   54 + H     GLY   57  OK    78    78 100 100  4.8-5.1   2.1/822=86, 3.3/821=81, 231/400=61, 5.7/826=45...(10)
      HG2   PRO   58 - H     GLY   57  far    0    71   0   -  6.5-6.7
      QG    GLU  125 - H     GLY   57  far    0    87   0   -  8.0-16.1
      HB    VAL  119 - H     GLY   57  far    0    90   0   -  8.1-9.0
      HB2   PRO  126 - H     GLY   57  far    0    68   0   -  9.5-20.8
      HB2   GLN   64 - H     GLY   57  far    0   100   0   -  9.9-10.6
    Violated in 1 structures by 0.00 A.
 
    Peak 826 from n15no.peaks (1.44, 7.62, 108.98 ppm; 4.56 A increased from 3.84 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    ALA   55 + H     GLY   57  OK    99    99 100 100  4.3-4.4   2106/3.6=61, 817/4.6=57, 2.1/2124=55, 4.8/821=51...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 827 from n15no.peaks (1.29, 7.62, 108.98 ppm; 3.91 A):
    1 out of 2 assignments used, quality = 0.99:
      QG2   THR   56 + H     GLY   57  OK    99    99 100 100  2.3-2.6   4.2=84, 3.2/819=64, 2.1/2118=41, 1773/4.6=40...(16)
      HB3   LEU   62 - H     GLY   57  far    0    71   0   -  9.6-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 828 from n15no.peaks (2.48, 6.91, 111.94 ppm; 3.98 A increased from 3.53 A):
    1 out of 2 assignments used, quality = 0.85:
      HG2   GLN   59 + HE22  GLN   59  OK    85    85 100 100  3.2-3.9   3.5=100
      HG2   GLU  113 - HE22  GLN   59  far    0    87   0   -  6.6-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 829 from n15no.peaks (2.48, 7.62, 111.94 ppm; 4.02 A increased from 3.39 A):
    1 out of 2 assignments used, quality = 0.85:
      HG2   GLN   59 + HE21  GLN   59  OK    85    85 100 100  2.8-4.0   3.5=100
      HG2   GLU  113 - HE21  GLN   59  far    0    87   0   -  8.0-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 830 from n15no.peaks (4.23, 8.58, 122.04 ppm; 3.22 A):
    1 out of 5 assignments used, quality = 0.99:
      HA    GLU   60 + H     GLU   60  OK    99    99 100 100  2.8-2.9   3.0=100
      HA3   GLY   57 - H     GLU   60  far    0    76   0   -  3.4-3.7
      HA    THR   56 - H     GLU   60  far    0    78   0   -  6.1-6.5
      HA    ALA  117 - H     GLU   60  far    0    97   0   -  8.7-9.4
      HA    GLU   53 - H     GLU   60  far    0   100   0   -  9.1-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 831 from n15no.peaks (4.22, 8.49, 118.12 ppm; 4.09 A):
    1 out of 5 assignments used, quality = 0.87:
      HA3   GLY   57 + H     GLN   59  OK    87    89 100  98  3.7-3.9   1.8/170=64, 2147/832=52, 3.7/834=52, 5.6/836=32...(7)
      HA    GLU   60 - H     GLN   59  far    0   100   0   -  5.3-5.4
      HA    ALA  117 - H     GLN   59  far    0    90   0   -  6.0-6.7
      HA    THR   56 - H     GLN   59  far    0    63   0   -  7.7-8.1
      HA    GLU   53 - H     GLN   59  far    0    99   0   -  9.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 832 from n15no.peaks (4.10, 8.49, 118.12 ppm; 4.02 A increased from 3.78 A):
    1 out of 4 assignments used, quality = 1.00:
      HD2   PRO   58 + H     GLN   59  OK   100   100 100 100  3.8-3.9   1.8/834=74, 2.3/836=73, 2.3/2166=62, 2181=51...(12)
      HA    ALA   63 - H     GLN   59  far    0   100   0   -  7.9-9.2
      HA    TYR   52 - H     GLN   59  far    0   100   0   -  8.3-8.7
      HA    GLU  114 - H     GLN   59  far    0    98   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 833 from n15no.peaks (3.96, 8.49, 118.12 ppm; 3.41 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    GLN   59 + H     GLN   59  OK   100   100 100 100  2.8-2.8   2.9=100
      QA    GLY  127 - H     GLN   59  far    0    99   0   -  6.7-19.8
      QA    GLY  121 - H     GLN   59  far    0    89   0   -  8.7-9.2
      HA    PRO  112 - H     GLN   59  far    0    83   0   -  9.4-10.1
      HA    ALA  115 - H     GLN   59  far    0    76   0   -  9.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 834 from n15no.peaks (3.82, 8.49, 118.12 ppm; 4.06 A):
    1 out of 4 assignments used, quality = 1.00:
      HD3   PRO   58 + H     GLN   59  OK   100   100 100 100  2.7-2.7   1.8/832=77, 2.3/836=74, 2.3/2166=64, 2164=52...(13)
      HA    GLU  113 - H     GLN   59  far    0    87   0   -  6.7-7.6
      HA    GLU   54 - H     GLN   59  far    0    92   0   -  6.8-7.1
      QA    GLY  128 - H     GLN   59  far    0    78   0   -  9.2-22.2
    Violated in 0 structures by 0.00 A.
 
    Peak 835 from n15no.peaks (2.48, 8.49, 118.12 ppm; 4.07 A increased from 3.43 A):
    1 out of 3 assignments used, quality = 0.87:
      HG2   GLN   59 + H     GLN   59  OK    87    87 100 100  3.5-4.1   2.5/837=87, 4.6=69, 1.8/2219=66, 2204/2.9=57...(17)
      HG3   GLN   64 - H     GLN   59  far    0   100   0   -  8.1-8.4
      HG2   GLU  113 - H     GLN   59  far    0    85   0   -  8.3-9.3
    Violated in 1 structures by 0.00 A.
 
    Peak 836 from n15no.peaks (2.23, 8.49, 118.12 ppm; 3.82 A increased from 3.40 A):
    1 out of 2 assignments used, quality = 0.60:
      HG2   PRO   58 + H     GLN   59  OK    60    60 100  99  2.0-3.7   2.3/832=63, 1.8/2166=62, 2.3/834=62, 5.0=43...(12)
      HG3   GLU  113 - H     GLN   59  far    0    99   0   -  7.0-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 837 from n15no.peaks (2.12, 8.49, 118.12 ppm; 2.96 A):
    1 out of 3 assignments used, quality = 0.93:
      QB    GLN   59 + H     GLN   59  OK    93    95 100  98  2.2-2.6   3.3=72, 2.5/835=34, 2.5/2219=31, 4.0/165=22...(18)
      HB2   GLU   60 - H     GLN   59  far    0   100   0   -  4.7-5.0
      HB2   PRO  112 - H     GLN   59  far    0    71   0   -  8.7-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 838 from n15no.peaks (1.75, 8.49, 118.12 ppm; 5.50 A increased from 4.88 A):
    1 out of 2 assignments used, quality = 0.75:
      HB2   LEU   62 + H     GLN   59  OK    75   100  75 100  4.5-5.7   2198/2.9=94, 3.1/842=73, 3.0/839=70, 2295=68...(11)
      HG3   ARG  123 - H     GLN   59  far    0   100   0   -  7.9-10.2
    Violated in 10 structures by 0.05 A.
 
    Peak 839 from n15no.peaks (1.40, 8.49, 118.12 ppm; 5.50 A increased from 4.91 A):
    1 out of 2 assignments used, quality = 0.47:
      HG    LEU   62 + H     GLN   59  OK    47    99  48 100  5.0-6.1   2291/2.9=86, 2.1/842=83, ~2290=71, 3.0/838=70...(13)
      QB    ALA  115 - H     GLN   59  far    0    99   0   -  7.8-8.3
    Violated in 11 structures by 0.32 A.
 
    Peak 840 from n15no.peaks (1.24, 8.49, 118.12 ppm; 4.20 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    ALA  116 + H     GLN   59  OK    99    99 100 100  3.1-3.7   1620/4.1=57, 2132/4.1=48, 1625/3.6=48, 1658/165=45...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 841 from n15no.peaks (0.97, 8.49, 118.12 ppm; 5.50 A increased from 5.05 A):
    1 out of 2 assignments used, quality = 0.99:
      QG2   VAL  119 + H     GLN   59  OK    99    99 100 100  4.7-5.5   2140/4.1=78, 2131/4.1=78, 1760/832=75, 2156/834=70...(6)
      HG    LEU   65 - H     GLN   59  far    0   100   0   -  9.8-11.0
    Violated in 11 structures by 0.01 A.
 
    Peak 842 from n15no.peaks (0.49, 8.49, 118.12 ppm; 5.25 A):
    1 out of 1 assignment used, quality = 0.98:
      QD1   LEU   62 + H     GLN   59  OK    98    98 100 100  3.8-5.3   2290/2.9=92, 1619/840=84, 2.1/839=72, 3.1/838=63...(17)
    Violated in 1 structures by 0.00 A.
 
    Peak 843 from n15no.peaks (3.79, 7.62, 111.94 ppm; 4.41 A):
    1 out of 3 assignments used, quality = 0.61:
      HD3   PRO   58 + HE21  GLN   59  OK    61    65 100  93  3.9-4.3   1.8/846=53, 5.6/165=36, 2162/1.7=33, ~2165=23...(8)
      HA    GLU  113 - HE21  GLN   59  far    0    97   0   -  6.1-7.1
      HA    LEU   62 - HE21  GLN   59  far    0    99   0   -  9.1-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 844 from n15no.peaks (3.94, 7.62, 111.94 ppm; 4.87 A increased from 4.32 A):
    2 out of 4 assignments used, quality = 0.99:
      HA    GLN   59 + HE21  GLN   59  OK    97    97 100 100  3.9-4.7   1316/3.5=78, 2.9/165=77, 867/1.7=74, 129/3.5=73...(14)
      HA    ALA  116 + HE21  GLN   59  OK    73    81  90 100  4.2-5.0   2.1/850=95, ~856=72, 5.0/849=47, ~2205=46...(13)
      QA    GLY  127 - HE21  GLN   59  far    0    78   0   -  5.0-19.6
      HA    ALA  115 - HE21  GLN   59  far    0    98   0   -  7.8-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 845 from n15no.peaks (4.22, 7.62, 111.94 ppm; 5.01 A):
    1 out of 4 assignments used, quality = 0.78:
      HA    ALA  117 + HE21  GLN   59  OK    78    78 100  99  2.8-3.7   2.1/849=83, 1624/850=72, ~855=63, 868/1.7=56
      HA3   GLY   57 - HE21  GLN   59  far    0    97   0   -  6.1-6.4
      HA    LEU  118 - HE21  GLN   59  far    0    65   0   -  7.1-8.2
      HA    GLU   60 - HE21  GLN   59  far    0   100   0   -  7.9-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 846 from n15no.peaks (4.10, 7.62, 111.94 ppm; 5.39 A increased from 5.07 A):
    1 out of 3 assignments used, quality = 1.00:
      HD2   PRO   58 + HE21  GLN   59  OK   100   100 100 100  4.9-5.3   1.8/843=97, 832/165=74, ~2162=63, ~2165=34...(7)
      HA    GLU  114 - HE21  GLN   59  far    0    98   0   -  7.1-7.9
      HA    ALA   63 - HE21  GLN   59  far    0   100   0   -  9.6-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 847 from n15no.peaks (2.76, 7.62, 111.94 ppm; 5.19 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    TYR   52 + HE21  GLN   59  far    0    83   0   -  9.4-10.3
    Violated in 20 structures by 4.77 A.
 
    Peak 848 from n15no.peaks (2.08, 7.62, 111.94 ppm; 4.15 A increased from 3.91 A):
    1 out of 6 assignments used, quality = 0.60:
      QB    GLN   59 + HE21  GLN   59  OK    60    63  95 100  3.9-4.3   4.0=100
      HB3   PRO   58 - HE21  GLN   59  far    0    99   0   -  4.3-5.0
      HB2   GLU  125 - HE21  GLN   59  far    0    76   0   -  8.9-16.7
      QG    PRO  126 - HE21  GLN   59  far    0    93   0   -  9.3-17.5
      HB2   PRO  112 - HE21  GLN   59  far    0    90   0   -  9.3-10.3
      HG2   PRO  109 - HE21  GLN   59  far    0    73   0   -  9.9-12.1
    Violated in 2 structures by 0.01 A.
 
    Peak 849 from n15no.peaks (1.53, 7.62, 111.94 ppm; 4.69 A increased from 4.41 A):
    1 out of 2 assignments used, quality = 0.87:
      QB    ALA  117 + HE21  GLN   59  OK    87    95  98  95  4.1-4.8   2.1/845=68, 4.7/850=57, ~868=53, 5.0/844=18
      QB    ALA   63 - HE21  GLN   59  far    0    93   0   -  7.4-9.0
    Violated in 2 structures by 0.01 A.
 
    Peak 850 from n15no.peaks (1.25, 7.62, 111.94 ppm; 3.70 A):
    1 out of 2 assignments used, quality = 0.98:
      QB    ALA  116 + HE21  GLN   59  OK    98    99 100 100  2.5-3.3   856/1.7=71, 1658=68, 1622/3.5=44, 2206/3.5=33...(15)
      QG2   THR   56 - HE21  GLN   59  far    0    63   0   -  8.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 851 from n15no.peaks (0.90, 7.62, 111.94 ppm; 4.94 A):
    0 out of 4 assignments used, quality = 0.00:
      QD2   LEU  118 + HE21  GLN   59  far    0    95   0   -  6.9-7.6
      QD1   ILE  100 + HE21  GLN   59  far    0    78   0   -  8.4-9.1
      QG2   ILE  100 + HE21  GLN   59  far    0   100   0   -  8.4-9.1
      QG1   VAL   88 + HE21  GLN   59  far    0   100   0   -  9.2-10.2
    Violated in 20 structures by 1.74 A.
 
    Peak 852 from n15no.peaks (0.50, 7.62, 111.94 ppm; 5.50 A increased from 4.94 A):
    1 out of 1 assignment used, quality = 0.90:
      QD1   LEU   62 + HE21  GLN   59  OK    90    90 100 100  4.8-5.5   1619/850=91, 857/1.7=83, 2208/3.5=63, 2207/3.5=63...(8)
    Violated in 3 structures by 0.00 A.
 
    Peak 853 from n15no.peaks (0.28, 7.62, 111.94 ppm; 5.15 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   62 + HE21  GLN   59  far    0    99   0   -  6.9-7.7
    Violated in 20 structures by 2.22 A.
 
    Peak 854 from n15no.peaks (2.10, 6.91, 111.94 ppm; 4.68 A increased from 4.41 A):
    1 out of 7 assignments used, quality = 0.93:
      QB    GLN   59 + HE22  GLN   59  OK    93    93 100 100  3.7-4.5   4.0=100
      HB3   PRO   58 - HE22  GLN   59  far    0    81   0   -  4.9-5.3
      QB    GLU  114 - HE22  GLN   59  far    0    87   0   -  7.0-8.3
      HB2   GLU   60 - HE22  GLN   59  far    0    57   0   -  7.9-9.0
      HB2   PRO  112 - HE22  GLN   59  far    0   100   0   -  8.0-8.7
      HB2   LEU  118 - HE22  GLN   59  far    0    71   0   -  8.2-9.7
      HG2   PRO  109 - HE22  GLN   59  far    0    97   0   -  9.0-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 855 from n15no.peaks (1.49, 6.91, 111.94 ppm; 4.63 A):
    1 out of 2 assignments used, quality = 0.60:
      QB    ALA  117 + HE22  GLN   59  OK    60    63 100  95  3.4-4.6   2.1/868=70, 4.7/856=55, ~845=50, 5.2/965=16...(6)
      HB3   LEU  118 - HE22  GLN   59  far    0    63   0   -  8.4-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 856 from n15no.peaks (1.25, 6.91, 111.94 ppm; 3.81 A):
    1 out of 2 assignments used, quality = 0.98:
      QB    ALA  116 + HE22  GLN   59  OK    98    99 100 100  1.9-2.3   850/1.7=77, 1656=56, 1622/3.5=47, 1619/857=40...(15)
      QG2   THR   56 - HE22  GLN   59  far    0    63   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 857 from n15no.peaks (0.48, 6.91, 111.94 ppm; 4.78 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   62 + HE22  GLN   59  OK   100   100 100 100  3.8-4.6   1619/856=79, 2290/867=61, 852/1.7=55, 842/164=41...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 858 from n15no.peaks (3.97, 8.58, 122.04 ppm; 3.88 A):
    1 out of 3 assignments used, quality = 0.97:
      HA    GLN   59 + H     GLU   60  OK    97    97 100 100  3.5-3.6   3.6=100
      QA    GLY  127 - H     GLU   60  far    0   100   0   -  8.3-21.8
      HA    PHE   92 - H     GLU   60  far    0    68   0   -  9.8-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 859 from n15no.peaks (3.82, 8.58, 122.04 ppm; 4.98 A):
    1 out of 3 assignments used, quality = 0.94:
      HD3   PRO   58 + H     GLU   60  OK    94    99 100  95  4.3-4.5   834/4.6=60, 4.8/398=43, 6.9/2212=35, 2162/6.8=29...(7)
      HA    GLU   54 - H     GLU   60  far    0    99   0   -  7.1-7.5
      HA    GLU  113 - H     GLU   60  far    0    71   0   -  8.1-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 860 from n15no.peaks (2.38, 8.58, 122.04 ppm; 4.40 A increased from 3.52 A):
    2 out of 3 assignments used, quality = 0.80:
      HG2   GLU   60 + H     GLU   60  OK    72    73  98 100  4.3-4.5   3.0/862=84, 4.8=75, 3.0/2250=73, 1.8/2239=73...(16)
      HG3   GLU   60 + H     GLU   60  OK    30    63  48 100  4.4-4.6   3.0/862=84, 4.8=75, 1.8/2245=74, 3.0/2250=73...(16)
      HB2   PRO   58 - H     GLU   60  far    0    97   0   -  5.0-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 861 from n15no.peaks (2.12, 8.58, 122.04 ppm; 2.94 A):
    2 out of 4 assignments used, quality = 1.00:
      HB2   GLU   60 + H     GLU   60  OK    97    98 100  99  2.2-2.5   2250=67, 1.8/862=62, 891/172=36, 3.0/2245=24...(16)
      QB    GLN   59 + H     GLU   60  OK    87    99 100  88  2.4-2.7   2212=58, 837/4.6=24, 2213/174=18, 2214/175=13...(10)
      HB3   GLN   64 - H     GLU   60  far    0    73   0   -  8.8-9.0
      HB2   PRO  112 - H     GLU   60  far    0    85   0   -  9.4-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 862 from n15no.peaks (1.99, 8.58, 122.04 ppm; 3.12 A):
    1 out of 4 assignments used, quality = 0.96:
      HB3   GLU   60 + H     GLU   60  OK    96    97 100  99  2.5-2.8   2251=71, 1.8/2250=59, 4.2/172=32, 3.0/2245=28...(17)
      QB    GLU   54 - H     GLU   60  far    0    73   0   -  8.2-8.8
      HB2   GLU   53 - H     GLU   60  far    0    83   0   -  9.5-10.2
      QB    ARG  123 - H     GLU   60  far    0    83   0   -  9.5-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 863 from n15no.peaks (1.56, 8.58, 122.04 ppm; 5.27 A increased from 4.44 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    ALA   63 + H     GLU   60  OK    99    99 100 100  4.4-5.1   2225/3.0=97, ~389=52, 5.8/171=47, 6.6/1671=38...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 864 from n15no.peaks (1.43, 8.58, 122.04 ppm; 4.66 A):
    0 out of 2 assignments used, quality = 0.00:
      QB    ALA   55 + H     GLU   60  far    0   100   0   -  8.4-8.7
      QB    ALA  115 + H     GLU   60  far    0    63   0   -  9.3-9.8
    Violated in 20 structures by 3.34 A.
 
    Peak 865 from n15no.peaks (1.28, 8.58, 122.04 ppm; 4.51 A):
    1 out of 1 assignment used, quality = 1.00:
      QG2   THR   56 + H     GLU   60  OK   100   100 100 100  3.7-4.1   1776=99, 1767/862=79, 2236/2250=61, 894/172=61...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 866 from n15no.peaks (3.80, 6.91, 111.94 ppm; 5.50 A increased from 4.67 A):
    2 out of 4 assignments used, quality = 1.00:
      HA    GLU  113 + HE22  GLN   59  OK    97   100 100  98  4.5-5.5   3842/856=89, 3837/857=70, 2446/965=25, 777/2298=5
      HD3   PRO   58 + HE22  GLN   59  OK    94    95 100 100  4.7-5.5   843/1.7=84, 2162=76, ~846=67, 834/164=58...(9)
      HA    LEU   62 - HE22  GLN   59  far    0    81   0   -  8.1-9.1
      HA    GLU   54 - HE22  GLN   59  far    0    60   0   -  9.1-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 867 from n15no.peaks (3.96, 6.91, 111.94 ppm; 4.59 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    GLN   59 + HE22  GLN   59  OK   100   100 100 100  3.2-4.2   2203/3.5=76, 2204/3.5=70, 2.9/164=61, 2290/857=54...(16)
      QA    GLY  127 - HE22  GLN   59  far    0    99   0   -  6.2-20.6
      HA    ALA  115 - HE22  GLN   59  far    0    76   0   -  6.8-8.3
      QA    GLY  121 - HE22  GLN   59  far    0    89   0   -  7.2-8.2
      HA    PRO  112 - HE22  GLN   59  far    0    83   0   -  8.1-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 868 from n15no.peaks (4.24, 6.91, 111.94 ppm; 4.84 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    ALA  117 + HE22  GLN   59  OK    99   100 100  99  2.7-4.0   2.1/855=80, 3897/856=67, ~849=59, 845/1.7=51...(6)
      HA    GLU   60 - HE22  GLN   59  far    0    90   0   -  7.7-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 869 from n15no.peaks (7.04, 7.79, 121.29 ppm; 5.09 A):
    1 out of 3 assignments used, quality = 0.94:
      QE    PHE   92 + H     ALA   61  OK    94    95 100 100  3.7-4.5   1666/2.9=90, 132/177=72, 110/872=58, 130=54...(9)
      QD    PHE   50 - H     ALA   61  far    0    96   0   -  6.6-7.1
      HD2   HIS   51 - H     ALA   61  far    0   100   0   -  9.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 870 from n15no.peaks (6.84, 7.79, 121.29 ppm; 4.86 A):
    1 out of 2 assignments used, quality = 0.60:
      QD    TYR   52 + H     ALA   61  OK    60    60 100 100  4.0-4.9   1665/2.9=90, 2.2/871=66, ~1664=52, ~1602=45...(6)
      HE22  GLN   64 - H     ALA   61  far    0    71   0   -  6.0-6.4
    Violated in 2 structures by 0.00 A.
 
    Peak 871 from n15no.peaks (6.54, 7.79, 121.29 ppm; 5.31 A increased from 4.72 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   52 + H     ALA   61  OK   100   100 100 100  4.5-5.1   2.2/870=85, 46/872=79, 1664/2.9=76, ~244=74...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 872 from n15no.peaks (4.62, 7.79, 121.29 ppm; 4.38 A):
    1 out of 1 assignment used, quality = 0.94:
      HA    PRO   58 + H     ALA   61  OK    94    95 100 100  3.3-3.7   1605/2.9=79, 875/177=54, 3.6/162=50, 46/871=44...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 873 from n15no.peaks (4.31, 7.79, 121.29 ppm; 3.37 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    ALA   61 + H     ALA   61  OK    99    99 100 100  2.7-2.8   3.0=100
      HB    THR   56 - H     ALA   61  far    0    85   0   -  5.7-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 874 from n15no.peaks (4.28, 8.12, 116.72 ppm; 3.97 A):
    0 out of 2 assignments used, quality = 0.00:
      HB    THR   56 + H     LEU   62  far    0    99   0   -  8.3-9.1
      HA    THR   56 + H     LEU   62  far    0    60   0   -  8.9-9.6
    Violated in 20 structures by 4.19 A.
 
    Peak 875 from n15no.peaks (4.62, 8.12, 116.72 ppm; 4.82 A):
    1 out of 1 assignment used, quality = 0.94:
      HA    PRO   58 + H     LEU   62  OK    94    95 100 100  3.7-4.6   1605/882=85, 872/177=72, 110/132=54, 3.6/161=50...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 876 from n15no.peaks (4.10, 8.12, 116.72 ppm; 4.23 A):
    0 out of 5 assignments used, quality = 0.00:
      HA    ALA   63 + H     LEU   62  far    0   100   0   -  5.2-5.5
      HA    TYR   52 + H     LEU   62  far    0   100   0   -  5.5-7.0
      HA    GLN   64 + H     LEU   62  far    0    89   0   -  6.8-6.9
      HD2   PRO   58 + H     LEU   62  far    0    96   0   -  7.0-7.7
      HA    GLU   85 + H     LEU   62  far    0    57   0   -  9.0-10.5
    Violated in 20 structures by 0.73 A.
 
    Peak 877 from n15no.peaks (3.97, 8.12, 116.72 ppm; 3.85 A increased from 3.62 A):
    1 out of 3 assignments used, quality = 0.97:
      HA    GLN   59 + H     LEU   62  OK    97    97 100 100  3.5-3.9   2215=83, 2198/883=54, 2290/889=46, 2291/884=46...(15)
      HA    PHE   92 - H     LEU   62  far    0    68   0   -  5.9-7.1
      HA    PRO  112 - H     LEU   62  far    0    95   0   -  7.3-8.3
    Violated in 3 structures by 0.00 A.
 
    Peak 878 from n15no.peaks (3.79, 8.12, 116.72 ppm; 3.45 A):
    1 out of 6 assignments used, quality = 0.93:
      HA    LEU   62 + H     LEU   62  OK    93    93 100 100  2.7-2.8   3.0=100
      HA    GLU  113 - H     LEU   62  far    0   100   0   -  6.4-6.8
      HD3   PRO   58 - H     LEU   62  far    0    83   0   -  6.8-7.3
      HA    ARG   66 - H     LEU   62  far    0   100   0   -  8.2-8.7
      HD3   PRO  112 - H     LEU   62  far    0    97   0   -  9.7-10.7
      HD2   PRO   97 - H     LEU   62  far    0    76   0   - 10.0-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 879 from n15no.peaks (2.72, 8.12, 116.72 ppm; 5.50 A increased from 5.35 A):
    1 out of 1 assignment used, quality = 0.95:
      HG2   GLN   64 + H     LEU   62  OK    95   100  95 100  5.3-5.6   1.8/880=95, 2329/3.6=78, 895/176=78, 2326/5.8=55...(8)
    Violated in 12 structures by 0.03 A.
 
    Peak 880 from n15no.peaks (2.46, 8.12, 116.72 ppm; 4.72 A increased from 4.45 A):
    1 out of 3 assignments used, quality = 0.64:
      HG3   GLN   64 + H     LEU   62  OK    64    71 100  91  4.5-4.6   1.8/879=60, 2349/3.6=51, 8.1/887=20, 8.2/176=19...(7)
      HG3   GLN   59 - H     LEU   62  far    0    99   0   -  5.7-6.7
      HG2   GLU  113 - H     LEU   62  far    0    99   0   -  7.1-7.4
    Violated in 1 structures by 0.00 A.
 
    Peak 881 from n15no.peaks (2.12, 8.12, 116.72 ppm; 4.02 A):
    0 out of 6 assignments used, quality = 0.00:
      QB    GLN   59 + H     LEU   62  far    0    99   0   -  4.8-5.3
      HB2   GLU   60 + H     LEU   62  far    0    98   0   -  4.9-5.6
      HB2   PRO  112 + H     LEU   62  far    0    85   0   -  5.8-6.7
      HB3   GLN   64 + H     LEU   62  far    0    73   0   -  6.9-7.1
      QB    GLU   67 + H     LEU   62  far    0   100   0   -  8.2-8.8
      QB    GLU   85 + H     LEU   62  far    0    99   0   -  9.2-10.8
    Violated in 20 structures by 0.33 A.
 
    Peak 882 from n15no.peaks (1.90, 8.12, 116.72 ppm; 3.10 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    ALA   61 + H     LEU   62  OK   100   100 100 100  2.4-2.8   1670=86, 2.9/177=49, 1603/3.0=31, 2274/889=28...(21)
      HB3   PRO  112 - H     LEU   62  far    0    97   0   -  7.0-8.0
      HB3   GLU  113 - H     LEU   62  far    0    81   0   -  8.7-9.1
      HG    LEU   96 - H     LEU   62  far    0    76   0   -  8.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 883 from n15no.peaks (1.76, 8.12, 116.72 ppm; 3.17 A):
    1 out of 2 assignments used, quality = 0.98:
      HB2   LEU   62 + H     LEU   62  OK    98    99 100  99  2.2-2.5   3.8=56, 1.8/885=55, 3.0/884=50, 899/176=43...(15)
      QB    LEU   84 - H     LEU   62  far    0   100   0   -  8.8-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 884 from n15no.peaks (1.39, 8.12, 116.72 ppm; 3.15 A):
    1 out of 2 assignments used, quality = 0.47:
      HG    LEU   62 + H     LEU   62  OK    47   100  48  99  2.3-4.0   3.0/883=49, 2.1/888=44, 2.1/889=42, 3.0/885=41...(18)
      QB    ALA  115 - H     LEU   62  far    0    95   0   -  7.3-7.9
    Violated in 11 structures by 0.47 A.
 
    Peak 885 from n15no.peaks (1.33, 8.12, 116.72 ppm; 3.69 A increased from 3.28 A):
    1 out of 3 assignments used, quality = 0.90:
      HB3   LEU   62 + H     LEU   62  OK    90    90 100 100  2.9-3.6   3.8=89, 1.8/883=86, 3.0/884=66, 901/176=55...(15)
      HB3   LEU   65 - H     LEU   62  far    0    85   0   -  6.5-7.0
      HB3   LEU   89 - H     LEU   62  far    0   100   0   -  9.6-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 886 from n15no.peaks (0.91, 8.12, 116.72 ppm; 5.50 A increased from 4.76 A):
    1 out of 4 assignments used, quality = 0.71:
      QG1   VAL   88 + H     LEU   62  OK    71    98  73 100  4.8-5.9   2262/888=89, 2288/884=81, 2270/889=76, 2760/186=56
      QG2   ILE  100 - H     LEU   62  far    0    90   0   -  8.7-10.3
      QD1   LEU  118 - H     LEU   62  far    0    90   0   -  9.9-10.8
      QD1   LEU   93 - H     LEU   62  far    0    85   0   -  9.9-11.2
    Violated in 8 structures by 0.11 A.
 
    Peak 887 from n15no.peaks (0.76, 8.12, 116.72 ppm; 4.60 A):
    1 out of 2 assignments used, quality = 0.96:
      QD1   LEU   65 + H     LEU   62  OK    96    96 100 100  3.2-3.7   2368/3.0=74, 1598/882=71, 2261/888=67, 2395/186=56...(17)
      QD2   LEU   89 - H     LEU   62  far    0    63   0   -  7.9-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 888 from n15no.peaks (0.29, 8.12, 116.72 ppm; 3.96 A increased from 3.73 A):
    1 out of 1 assignment used, quality = 0.97:
      QD2   LEU   62 + H     LEU   62  OK    97   100  98 100  2.9-3.9   2.1/884=88, 2313=83, 3.1/883=71, 2.1/889=68...(21)
    Violated in 1 structures by 0.02 A.
 
    Peak 889 from n15no.peaks (0.49, 8.12, 116.72 ppm; 4.08 A increased from 3.84 A):
    1 out of 1 assignment used, quality = 0.98:
      QD1   LEU   62 + H     LEU   62  OK    98    98 100 100  1.8-3.9   2.1/884=90, 2304=84, 2.1/888=74, 3.1/883=74...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 890 from n15no.peaks (2.38, 7.79, 121.29 ppm; 4.05 A):
    2 out of 4 assignments used, quality = 0.87:
      HG2   GLU   60 + H     ALA   61  OK    69    73  95  99  3.3-4.2   3.0/891=70, 5.2=46, 2227/3.6=46, 4.8/172=44...(12)
      HG3   GLU   60 + H     ALA   61  OK    59    63  95  99  3.5-4.1   3.0/891=70, 1765/894=50, 5.2=46, 4.8/172=44...(11)
      HB2   PRO   58 - H     ALA   61  far    0    97   0   -  5.3-5.6
      HG2   GLU   67 - H     ALA   61  far    0    99   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 891 from n15no.peaks (2.12, 7.79, 121.29 ppm; 3.44 A):
    1 out of 5 assignments used, quality = 0.94:
      HB2   GLU   60 + H     ALA   61  OK    94   100  95  98  2.4-3.5   4.2=56, 2250/172=47, 1.8/2252=39, 2465/894=37...(14)
      QB    GLN   59 - H     ALA   61  far    0    95   0   -  4.7-4.9
      HB3   GLN   64 - H     ALA   61  far    0    87   0   -  6.7-7.1
      HB2   PRO  112 - H     ALA   61  far    0    71   0   -  8.7-9.3
      QB    GLU   67 - H     ALA   61  far    0   100   0   -  9.3-9.7
    Violated in 1 structures by 0.01 A.
 
    Peak 892 from n15no.peaks (1.90, 7.79, 121.29 ppm; 2.95 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    ALA   61 + H     ALA   61  OK   100   100 100 100  2.0-2.2   2.9=100
      HG    LEU   96 - H     ALA   61  far    0    76   0   -  9.2-10.5
      HB3   PRO  112 - H     ALA   61  far    0    97   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 893 from n15no.peaks (1.43, 7.79, 121.29 ppm; 3.96 A):
    0 out of 2 assignments used, quality = 0.00:
      QB    ALA   55 + H     ALA   61  far    0   100   0   -  7.7-8.3
      QB    ALA  115 + H     ALA   61  far    0    63   0   -  8.8-9.2
    Violated in 20 structures by 3.59 A.
 
    Peak 894 from n15no.peaks (1.30, 7.79, 121.29 ppm; 3.85 A):
    1 out of 3 assignments used, quality = 0.94:
      QG2   THR   56 + H     ALA   61  OK    94    95 100  99  2.7-3.2   1600/2.9=64, 2465/891=52, 1767/4.2=44, 1776/172=42...(10)
      HB3   LEU   62 - H     ALA   61  far    0    87   0   -  5.7-6.4
      HG3   GLN   91 - H     ALA   61  far    0    89   0   -  9.0-12.5
    Violated in 0 structures by 0.00 A.
 
    Peak 895 from n15no.peaks (2.72, 7.73, 121.10 ppm; 4.90 A):
    1 out of 1 assignment used, quality = 1.00:
      HG2   GLN   64 + H     ALA   63  OK   100   100 100 100  4.0-4.3   907/180=86, 2326/900=83, 879/176=55, 2340/202=51...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 896 from n15no.peaks (2.45, 7.73, 121.10 ppm; 4.49 A):
    0 out of 2 assignments used, quality = 0.00:
      HG3   GLN   59 + H     ALA   63  far    0   100   0   -  6.3-7.7
      HG2   GLU  113 + H     ALA   63  far    0    92   0   -  6.8-7.6
    Violated in 20 structures by 1.88 A.
 
    Peak 897 from n15no.peaks (2.12, 7.73, 121.10 ppm; 4.06 A):
    0 out of 6 assignments used, quality = 0.00:
      QB    GLN   59 + H     ALA   63  far    0    99   0   -  4.7-5.1
      HB2   GLU   60 + H     ALA   63  far    0    98   0   -  5.5-5.8
      HB3   GLN   64 + H     ALA   63  far    0    73   0   -  6.0-6.3
      QB    GLU   67 + H     ALA   63  far    0   100   0   -  6.3-6.8
      HB2   PRO  112 + H     ALA   63  far    0    85   0   -  6.7-7.8
      QB    GLU   85 + H     ALA   63  far    0    99   0   -  9.2-10.8
    Violated in 20 structures by 0.35 A.
 
    Peak 899 from n15no.peaks (1.76, 7.73, 121.10 ppm; 3.45 A):
    1 out of 2 assignments used, quality = 0.98:
      HB2   LEU   62 + H     ALA   63  OK    98    99 100  99  2.4-2.8   1.8/901=68, 1878=57, 883/176=55, 3.1/905=33...(10)
      QB    LEU   84 - H     ALA   63  far    0   100   0   -  7.9-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 900 from n15no.peaks (1.56, 7.73, 121.10 ppm; 2.72 A):
    1 out of 2 assignments used, quality = 0.90:
      QB    ALA   63 + H     ALA   63  OK    90    95 100  96  2.0-2.2   2.9=80, 911/180=34, 2225/389=25, 2326/895=14...(11)
      QG    ARG   66 - H     ALA   63  far    0    60   0   -  3.9-4.3
    Violated in 0 structures by 0.00 A.
 
    Peak 901 from n15no.peaks (1.32, 7.73, 121.10 ppm; 3.57 A):
    1 out of 2 assignments used, quality = 0.95:
      HB3   LEU   62 + H     ALA   63  OK    95    98  98  99  3.0-3.4   1.8/899=76, 885/176=49, 2296=46, 3.1/905=36...(10)
      HB3   LEU   65 - H     ALA   63  far    0    68   0   -  6.8-7.1
    Violated in 1 structures by 0.03 A.
 
    Peak 902 from n15no.peaks (1.32, 7.68, 121.10 ppm; 4.70 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 904 from n15no.peaks (0.29, 7.73, 121.10 ppm; 4.73 A increased from 4.45 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   62 + H     ALA   63  OK    99    99 100 100  4.2-4.6   4.8=93, 3.1/899=85, 3.1/901=83, 147/3.6=77...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 905 from n15no.peaks (0.49, 7.73, 121.10 ppm; 4.72 A increased from 4.44 A):
    1 out of 1 assignment used, quality = 0.98:
      QD1   LEU   62 + H     ALA   63  OK    98    98 100 100  3.9-4.5   4.8=92, 3.1/899=84, 3.1/901=83, 2.1/904=75...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 906 from n15no.peaks (0.74, 7.73, 121.10 ppm; 4.95 A):
    1 out of 3 assignments used, quality = 0.90:
      QD1   LEU   65 + H     ALA   63  OK    90    90 100  99  4.3-4.8   2368/3.6=69, 2361/904=56, 4.9/202=49, 1598/6.0=42...(9)
      QD2   LEU   89 - H     ALA   63  far    0   100   0   -  9.5-10.7
      QD1   LEU   84 - H     ALA   63  far    0   100   0   -  9.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 907 from n15no.peaks (2.72, 8.13, 118.48 ppm; 3.45 A):
    1 out of 1 assignment used, quality = 1.00:
      HG2   GLN   64 + H     GLN   64  OK   100   100 100 100  2.1-2.3   2339=99, 1.8/908=70, 3.0/909=58, 159/2.9=52...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 908 from n15no.peaks (2.48, 8.13, 118.48 ppm; 3.51 A):
    1 out of 4 assignments used, quality = 1.00:
      HG3   GLN   64 + H     GLN   64  OK   100   100 100 100  2.3-2.5   2351=92, 1.8/907=74, 2334/909=63, 3.0/2347=52...(18)
      HG3   GLN   59 - H     GLN   64  far    0    63   0   -  8.8-9.9
      HG2   GLU  113 - H     GLN   64  far    0    96   0   -  9.1-9.6
      HG2   GLN   59 - H     GLN   64  far    0    71   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 909 from n15no.peaks (2.29, 8.13, 118.48 ppm; 3.19 A):
    1 out of 1 assignment used, quality = 0.99:
      HB2   GLN   64 + H     GLN   64  OK    99   100 100 100  2.8-2.9   2343=68, 1.8/2347=58, 2334/908=48, 3.0/907=46...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 910 from n15no.peaks (2.14, 8.13, 118.48 ppm; 3.63 A increased from 3.23 A):
    1 out of 6 assignments used, quality = 1.00:
      HB3   GLN   64 + H     GLN   64  OK   100   100 100 100  3.6-3.6   2347=100, 1.8/909=84, 1340/2.9=70, 3.0/907=58...(20)
      QB    GLU   67 - H     GLN   64  far    0    92   0   -  4.9-5.3
      HB2   GLU   60 - H     GLN   64  far    0    97   0   -  5.9-6.5
      HB2   LEU   68 - H     GLN   64  far    0    68   0   -  6.0-8.8
      QB    GLN   59 - H     GLN   64  far    0    65   0   -  6.6-7.2
      QG    GLU   53 - H     GLN   64  far    0    90   0   -  7.6-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 911 from n15no.peaks (1.56, 8.13, 118.48 ppm; 3.09 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    ALA   63 + H     GLN   64  OK    99    99 100 100  2.7-2.9   1697=98, 900/180=49, 2326/907=29, 1698/181=24...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 912 from n15no.peaks (2.73, 7.65, 110.83 ppm; 3.37 A):
    1 out of 1 assignment used, quality = 0.98:
      HG2   GLN   64 + HE21  GLN   64  OK    98   100 100  99  2.2-2.3   3.5=89, 3.0/915=38, 2339/188=31, 159/396=26...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 913 from n15no.peaks (2.47, 7.65, 110.83 ppm; 3.65 A):
    1 out of 2 assignments used, quality = 0.97:
      HG3   GLN   64 + HE21  GLN   64  OK    97    97 100 100  2.7-2.9   3.5=100
      HG3   GLN   59 - HE21  GLN   64  far    0    78   0   -  9.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 914 from n15no.peaks (2.37, 7.65, 110.83 ppm; 3.61 A):
    1 out of 2 assignments used, quality = 0.91:
      HG3   GLU   60 + HE21  GLN   64  OK    91    93 100  98  2.3-3.1   923/1.7=66, 1.8/2242=61, 2238=60, 3.0/916=36...(6)
      HG2   GLU   67 - HE21  GLN   64  far    0    99   0   -  7.2-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 915 from n15no.peaks (2.14, 7.65, 110.83 ppm; 4.30 A increased from 4.05 A):
    1 out of 6 assignments used, quality = 1.00:
      HB3   GLN   64 + HE21  GLN   64  OK   100   100 100 100  4.1-4.2   4.6=80, 3.0/912=78, 924/1.7=76, 1340/396=51...(10)
      HB2   GLU   60 - HE21  GLN   64  far    0    97   0   -  4.5-4.8
      QG    GLU   53 - HE21  GLN   64  far    0    90   0   -  6.2-6.9
      QB    GLU   67 - HE21  GLN   64  far    0    92   0   -  6.8-7.5
      QB    GLN   59 - HE21  GLN   64  far    0    65   0   -  7.1-7.6
      HB2   LEU   68 - HE21  GLN   64  far    0    68   0   -  8.3-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 916 from n15no.peaks (2.01, 7.65, 110.83 ppm; 4.80 A increased from 4.27 A):
    1 out of 1 assignment used, quality = 1.00:
      HB3   GLU   60 + HE21  GLN   64  OK   100   100 100 100  4.2-4.6   3.0/914=85, 3.0/2242=78, 1767/919=62, ~923=57...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 917 from n15no.peaks (1.55, 7.65, 110.83 ppm; 4.77 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    ALA   63 + HE21  GLN   64  OK   100   100 100 100  4.0-4.2   2321/3.5=73, 1697/188=69, 926/1.7=62, 4.9/396=44...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 918 from n15no.peaks (1.44, 7.65, 110.83 ppm; 5.02 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ALA   55 + HE21  GLN   64  far    0    99   0   -  8.1-9.0
    Violated in 20 structures by 3.85 A.
 
    Peak 919 from n15no.peaks (1.28, 7.65, 110.83 ppm; 4.51 A):
    1 out of 1 assignment used, quality = 1.00:
      QG2   THR   56 + HE21  GLN   64  OK   100   100 100 100  3.8-4.4   928/1.7=79, 1772=71, 1765/914=67, 2231/2242=58
    Violated in 0 structures by 0.00 A.
 
    Peak 920 from n15no.peaks (1.02, 7.65, 110.83 ppm; 5.08 A):
    0 out of 1 assignment used, quality = 0.00:
      QD1   LEU   68 + HE21  GLN   64  far    0    73   0   -  6.6-7.1
    Violated in 20 structures by 1.84 A.
 
    Peak 921 from n15no.peaks (2.73, 6.87, 110.81 ppm; 3.68 A):
    1 out of 1 assignment used, quality = 1.00:
      HG2   GLN   64 + HE22  GLN   64  OK   100   100 100 100  3.5-3.5   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 922 from n15no.peaks (2.47, 6.87, 110.81 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 0.97:
      HG3   GLN   64 + HE22  GLN   64  OK    97    97 100 100  3.7-3.8   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 923 from n15no.peaks (2.38, 6.87, 110.81 ppm; 3.84 A):
    1 out of 2 assignments used, quality = 0.77:
      HG3   GLU   60 + HE22  GLN   64  OK    77    81  98  97  3.2-3.5   914/1.7=79, ~2242=48, 2237=44, 1765/928=40
      HG2   GLU   67 - HE22  GLN   64  far    0   100   0   -  7.7-8.4
    Violated in 1 structures by 0.01 A.
 
    Peak 924 from n15no.peaks (2.14, 6.87, 110.81 ppm; 4.35 A):
    1 out of 6 assignments used, quality = 1.00:
      HB3   GLN   64 + HE22  GLN   64  OK   100   100 100 100  4.3-4.4   4.6=83, 915/1.7=79, ~912=52, 3.0/394=43...(9)
      HB2   GLU   60 - HE22  GLN   64  far    0    97   0   -  5.3-5.9
      QG    GLU   53 - HE22  GLN   64  far    0    90   0   -  5.8-6.5
      QB    GLU   67 - HE22  GLN   64  far    0    92   0   -  7.6-8.3
      HB2   LEU   68 - HE22  GLN   64  far    0    68   0   -  8.4-11.3
      QB    GLN   59 - HE22  GLN   64  far    0    65   0   -  8.5-9.0
    Violated in 2 structures by 0.00 A.
 
    Peak 925 from n15no.peaks (2.03, 6.87, 110.81 ppm; 4.44 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   GLU   60 + HE22  GLN   64  far    0    76   0   -  5.4-5.7
      HG    LEU   68 + HE22  GLN   64  far    0    96   0   -  7.7-10.6
    Violated in 20 structures by 1.10 A.
 
    Peak 926 from n15no.peaks (1.55, 6.87, 110.81 ppm; 5.50 A increased from 4.82 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    ALA   63 + HE22  GLN   64  OK   100   100 100 100  5.4-5.6   917/1.7=95, 2321/3.5=87, 911/388=67, 5.9/924=52...(7)
    Violated in 9 structures by 0.02 A.
 
    Peak 927 from n15no.peaks (1.45, 6.87, 110.81 ppm; 4.99 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ALA   55 + HE22  GLN   64  far    0    95   0   -  7.5-8.6
    Violated in 20 structures by 3.30 A.
 
    Peak 928 from n15no.peaks (1.28, 6.87, 110.81 ppm; 4.48 A):
    1 out of 1 assignment used, quality = 0.94:
      QG2   THR   56 + HE22  GLN   64  OK    94   100  95  99  4.1-4.4   1770=89, 919/1.7=78, 1765/923=64
    Violated in 2 structures by 0.01 A.
 
    Peak 929 from n15no.peaks (1.03, 6.87, 110.81 ppm; 5.27 A):
    0 out of 1 assignment used, quality = 0.00:
      QD1   LEU   68 + HE22  GLN   64  far    0    89   0   -  6.4-7.0
    Violated in 20 structures by 1.52 A.
 
    Peak 930 from n15no.peaks (1.95, 8.63, 120.45 ppm; 3.44 A):
    1 out of 3 assignments used, quality = 0.99:
      HB2   LEU   65 + H     LEU   65  OK    99    99 100 100  2.2-2.5   2384=65, 1.8/933=64, 3.1/936=46, 3.1/937=44...(18)
      QB    ARG   70 - H     LEU   65  far    0    68   0   -  7.5-8.4
      QB    ARG   46 - H     LEU   65  far    0    63   0   -  9.2-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 931 from n15no.peaks (2.29, 8.63, 120.45 ppm; 3.62 A):
    1 out of 2 assignments used, quality = 0.97:
      HB2   GLN   64 + H     LEU   65  OK    97    97 100 100  2.5-2.9   2344=67, 1.8/2348=55, 909/201=55, 2334/2352=46...(15)
      HB    VAL   88 - H     LEU   65  far    0    57   0   -  4.3-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 932 from n15no.peaks (2.14, 8.63, 120.45 ppm; 4.30 A increased from 3.62 A):
    1 out of 7 assignments used, quality = 1.00:
      HB3   GLN   64 + H     LEU   65  OK   100   100 100 100  3.8-4.1   2348=100, 1.8/931=92, 1340/3.6=77, 2347/201=68...(18)
      HB2   LEU   68 - H     LEU   65  far    0    85   0   -  4.4-7.1
      QB    GLU   67 - H     LEU   65  far    0    78   0   -  4.8-5.3
      HB2   GLU   60 - H     LEU   65  far    0    87   0   -  7.8-8.7
      QG    GLU   53 - H     LEU   65  far    0    98   0   -  7.9-8.6
      QB    GLN   71 - H     LEU   65  far    0   100   0   -  9.1-10.4
      QB    GLU   85 - H     LEU   65  far    0    81   0   -  9.1-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 933 from n15no.peaks (1.35, 8.63, 120.45 ppm; 3.72 A):
    1 out of 1 assignment used, quality = 1.00:
      HB3   LEU   65 + H     LEU   65  OK   100   100 100 100  3.5-3.6   1.8/930=81, 2382=80, 3.1/936=53, 3.1/937=51...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 934 from n15no.peaks (1.55, 8.63, 120.45 ppm; 4.87 A increased from 4.10 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    ALA   63 + H     LEU   65  OK   100   100 100 100  4.5-4.8   1697/201=90, 1698=81, 2.9/202=73, 5.0/203=54...(18)
      HG3   ARG   70 - H     LEU   65  far    0    81   0   - 10.0-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 935 from n15no.peaks (0.97, 8.63, 120.45 ppm; 4.38 A increased from 3.51 A):
    1 out of 3 assignments used, quality = 1.00:
      HG    LEU   65 + H     LEU   65  OK   100   100 100 100  2.2-4.2   2393=89, 2.1/936=85, 2.1/937=83, 3.0/930=79...(16)
      QD2   LEU   68 - H     LEU   65  far    0    99   0   -  6.3-6.6
      QG2   VAL  119 - H     LEU   65  far    0    99   0   - 10.0-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 936 from n15no.peaks (0.76, 8.63, 120.45 ppm; 3.81 A):
    1 out of 4 assignments used, quality = 1.00:
      QD1   LEU   65 + H     LEU   65  OK   100   100 100 100  2.2-3.2   2400=80, 2.1/937=67, 3.1/930=62, 3.1/933=57...(20)
      QD1   LEU   87 - H     LEU   65  far    0    85   0   -  7.7-9.3
      QD1   LEU   84 - H     LEU   65  far    0    85   0   -  7.9-8.6
      QD2   LEU   89 - H     LEU   65  far    0    81   0   -  9.1-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 937 from n15no.peaks (0.59, 8.63, 120.45 ppm; 3.93 A):
    1 out of 1 assignment used, quality = 0.95:
      QD2   LEU   65 + H     LEU   65  OK    95   100  95 100  2.8-3.9   2408=80, 2.1/936=74, 793/3.0=68, 3.1/930=65...(15)
    Violated in 6 structures by 0.02 A.
 
    Peak 938 from n15no.peaks (0.28, 8.63, 120.45 ppm; 5.06 A):
    1 out of 2 assignments used, quality = 0.99:
      QD2   LEU   62 + H     LEU   65  OK    99    99 100 100  4.3-4.8   2315=94, 2261/936=77, 4.0/203=72, 2366/930=63...(14)
      QD1   LEU   73 - H     LEU   65  far    0   100   0   -  8.3-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 939 from n15no.peaks (2.71, 8.63, 120.45 ppm; 4.44 A):
    1 out of 2 assignments used, quality = 0.90:
      HG2   GLN   64 + H     LEU   65  OK    90    90 100 100  4.2-4.3   2340=82, 1.8/2352=82, 3.0/931=77, 2339/201=67...(15)
      HG2   GLN   71 - H     LEU   65  far    0   100   0   -  8.8-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 940 from n15no.peaks (3.07, 8.68, 119.18 ppm; 4.83 A increased from 4.07 A):
    1 out of 2 assignments used, quality = 0.87:
      HD2   ARG   66 + H     ARG   66  OK    87    87 100 100  4.1-4.8   2.5/942=92, 3.3/941=90, 1.8/2439=81, 2441=78...(11)
      HB3   PHE   92 - H     ARG   66  far    0    83   0   -  6.5-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 941 from n15no.peaks (1.87, 8.68, 119.18 ppm; 2.94 A):
    1 out of 3 assignments used, quality = 0.96:
      QB    ARG   66 + H     ARG   66  OK    96    98 100  97  2.3-2.5   3.3=72, 2.1/942=45, 952/209=31, 2425/944=26...(10)
      QB    ALA   61 - H     ARG   66  far    0    76   0   -  5.9-6.6
      HB2   LYS   80 - H     ARG   66  far    0   100   0   -  8.3-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 942 from n15no.peaks (1.58, 8.68, 119.18 ppm; 3.60 A):
    1 out of 4 assignments used, quality = 0.98:
      QG    ARG   66 + H     ARG   66  OK    98    99 100 100  2.0-2.6   2.1/941=83, 4.3=58, 953/209=42, 2.5/2439=39...(15)
      QB    ALA   95 - H     ARG   66  far    0    60   0   -  8.7-9.4
      QB    ALA   43 - H     ARG   66  far    0    68   0   -  8.7-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 943 from n15no.peaks (1.35, 8.68, 119.18 ppm; 3.90 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LEU   65 + H     ARG   66  OK   100   100 100 100  3.2-3.6   4.6=59, 3.1/946=52, 933/4.5=41, 2364/945=41...(16)
      HB3   LEU   89 - H     ARG   66  far    0    87   0   -  8.9-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 944 from n15no.peaks (1.11, 8.68, 119.18 ppm; 3.86 A):
    1 out of 2 assignments used, quality = 0.90:
      QG2   VAL   88 + H     ARG   66  OK    90   100  90 100  2.5-4.1   3162=80, 2429/3.0=66, 2425/941=59, 2.1/2767=59...(11)
    Violated in 3 structures by 0.03 A.
 
    Peak 945 from n15no.peaks (0.91, 8.68, 119.18 ppm; 4.37 A increased from 3.88 A):
    1 out of 2 assignments used, quality = 0.98:
      QG1   VAL   88 + H     ARG   66  OK    98    98 100 100  3.2-4.2   2767=92, 2.1/944=84, 2426/941=68, 3845/3.0=62...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 946 from n15no.peaks (0.76, 8.68, 119.18 ppm; 4.17 A):
    1 out of 5 assignments used, quality = 0.99:
      QD1   LEU   65 + H     ARG   66  OK    99   100 100 100  3.7-4.1   3.1/943=64, 5.0=58, 2.1/947=54, 936/4.5=46...(15)
      QD1   LEU   84 - H     ARG   66  far    0    85   0   -  5.9-6.7
      QD1   LEU   87 - H     ARG   66  far    0    85   0   -  6.1-7.7
      QD2   LEU   89 - H     ARG   66  far    0    81   0   -  8.8-9.9
    Violated in 1 structures by 0.00 A.
 
    Peak 947 from n15no.peaks (0.60, 8.68, 119.18 ppm; 4.96 A increased from 4.67 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   65 + H     ARG   66  OK   100   100 100 100  4.4-4.8   5.0=97, 2.1/946=91, 793/3.6=83, 3.1/943=82...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 948 from n15no.peaks (0.27, 8.68, 119.18 ppm; 5.00 A):
    1 out of 3 assignments used, quality = 0.93:
      QD2   LEU   62 + H     ARG   66  OK    93    93 100 100  3.7-4.8   2262/945=70, 2261/946=66, 2367/943=57, 938/4.5=49...(10)
      QD1   LEU   73 - H     ARG   66  far    0    98   0   -  6.7-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 949 from n15no.peaks (3.11, 7.39, 119.79 ppm; 5.01 A increased from 4.71 A):
    1 out of 2 assignments used, quality = 0.89:
      HD2   ARG   66 + H     GLU   67  OK    89    89 100 100  2.6-4.9   2.5/953=88, 3.3/952=83, 1.8/2434=68, 2436=68...(11)
      HA    CYS   69 - H     GLU   67  far    0    97   0   -  6.6-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 950 from n15no.peaks (2.38, 7.39, 119.79 ppm; 3.67 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   GLU   67 + H     GLU   67  OK   100   100 100 100  2.8-3.3   2.5/951=78, 2472=74, 1.8/2468=55, ~191=35...(14)
      HG3   GLU   60 - H     GLU   67  far    0    81   0   -  9.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 951 from n15no.peaks (2.12, 7.39, 119.79 ppm; 2.90 A):
    1 out of 6 assignments used, quality = 0.98:
      QB    GLU   67 + H     GLU   67  OK    98   100 100  98  2.1-2.3   2479=76, 2.5/950=39, 2.5/2468=28, 4.0/217=27...(14)
      HB3   GLN   64 - H     GLU   67  far    0    87   0   -  5.3-5.7
      QB    GLN   71 - H     GLU   67  far    0    87   0   -  6.4-7.5
      HB2   PRO  112 - H     GLU   67  far    0    71   0   -  9.0-9.6
      QB    GLU   85 - H     GLU   67  far    0   100   0   -  9.1-10.3
      QB    GLN   59 - H     GLU   67  far    0    95   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 952 from n15no.peaks (1.87, 7.39, 119.79 ppm; 3.74 A increased from 3.33 A):
    1 out of 3 assignments used, quality = 0.98:
      QB    ARG   66 + H     GLU   67  OK    98    98 100 100  3.3-3.6   2437=83, 941/209=64, 2.1/953=60, 3.3/949=35...(19)
      QB    ALA   61 - H     GLU   67  far    0    76   0   -  7.6-8.0
      HB2   LYS   80 - H     GLU   67  far    0   100   0   -  7.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 953 from n15no.peaks (1.58, 7.39, 119.79 ppm; 4.11 A):
    1 out of 4 assignments used, quality = 0.92:
      QG    ARG   66 + H     GLU   67  OK    92    92 100 100  1.9-2.4   4.2=92, 2.1/952=80, 2462/951=70, 942/209=62...(15)
      QB    ALA   63 - H     GLU   67  far    0    65   0   -  4.7-5.1
      QG    ARG   74 - H     GLU   67  far    0    97   0   -  9.3-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 954 from n15no.peaks (1.36, 7.39, 119.79 ppm; 5.50 A increased from 4.89 A):
    1 out of 2 assignments used, quality = 0.98:
      HB3   LEU   65 + H     GLU   67  OK    98    98 100 100  5.1-5.4   943/209=87, 5.8/952=59, 6.2/214=52, 6.9=50...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 955 from n15no.peaks (1.08, 7.39, 119.79 ppm; 4.45 A):
    0 out of 1 assignment used, quality = 0.00:
    Violated in 20 structures by 5.04 A.
 
    Peak 956 from n15no.peaks (0.98, 7.39, 119.79 ppm; 4.55 A):
    0 out of 4 assignments used, quality = 0.00:
      QD2   LEU   68 + H     GLU   67  far    0    92   0   -  5.4-5.9
      HG    LEU   65 + H     GLU   67  far    0    99   0   -  5.7-7.1
      QD2   LEU   87 + H     GLU   67  far    0    89   0   -  9.4-10.6
    Violated in 20 structures by 0.65 A.
 
    Peak 957 from n15no.peaks (0.76, 7.39, 119.79 ppm; 5.50 A increased from 5.20 A):
    0 out of 4 assignments used, quality = 0.00:
      QD1   LEU   65 + H     GLU   67  far    0   100   0   -  5.6-5.9
      QD1   LEU   84 + H     GLU   67  far    0    85   0   -  5.6-6.6
      QD1   LEU   87 + H     GLU   67  far    0    85   0   -  6.8-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 959 from n15no.peaks (8.59, 8.51, 119.52 ppm; 3.38 A):
    1 out of 2 assignments used, quality = 0.95:
      H     CYS   69 + H     LEU   68  OK    95   100 100  95  2.4-2.6   4.7=39, 987/4.0=35, 4.3/972=34, 2515/971=26...(12)
      H     GLU   60 - H     ALA  116  far    0    62   0   -  8.9-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 961 from n15no.peaks (4.21, 8.51, 119.52 ppm; 3.99 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    GLU   67 + H     LEU   68  OK   100   100 100 100  3.5-3.5   3.6=100
      HA    ALA  117 - H     ALA  116  far    0    42   0   -  5.1-5.2
      HA    LEU  118 - H     ALA  116  far    0    48   0   -  7.1-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 962 from n15no.peaks (4.08, 8.51, 119.52 ppm; 3.60 A):
    1 out of 7 assignments used, quality = 0.96:
      HA    LEU   68 + H     LEU   68  OK    96    96 100 100  2.8-2.9   3.0=100
      HA    GLU  114 - H     ALA  116  far    0    69   0   -  3.9-4.1
      HA    ALA   63 - H     LEU   68  far    0    78   0   -  6.1-6.7
      HD2   PRO   58 - H     ALA  116  far    0    65   0   -  8.0-8.3
      HA    GLU   85 - H     ALA  116  far    0    70   0   -  9.3-9.9
      HA    GLU   85 - H     LEU   68  far    0    99   0   -  9.5-10.6
      HA    ALA   63 - H     ALA  116  far    0    49   0   -  9.6-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 963 from n15no.peaks (7.39, 8.51, 119.52 ppm; 3.54 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU   67 + H     LEU   68  OK    99   100 100  99  2.3-2.5   217=85, 3.4/973=49, 950/5.2=27, 2468/5.2=24...(13)
      QE    PHE   47 - H     LEU   68  far    0    73   0   -  5.2-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 964 from n15no.peaks (7.06, 8.51, 119.75 ppm; 4.91 A):
    1 out of 1 assignment used, quality = 0.98:
      QE    PHE   92 + H     ALA  116  OK    98    98 100 100  3.0-4.0   133=96, 162/2.9=83, 1688/982=81, ~117=58...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 965 from n15no.peaks (6.92, 8.51, 119.75 ppm; 5.02 A increased from 4.73 A):
    2 out of 6 assignments used, quality = 1.00:
      QD    PHE   92 + H     ALA  116  OK   100   100 100 100  4.2-4.9   145/1691=87, 2.2/133=80, 147/977=58, ~162=57...(8)
      HE22  GLN   59 + H     ALA  116  OK    71    99  73 100  4.2-5.4   856/2.9=86, ~850=65, ~1658=60, 857/978=52...(13)
      H     PHE   50 - H     LEU   68  far    0    40   0   -  8.8-9.4
      HE22  GLN  107 - H     ALA  116  far    0    78   0   -  8.8-10.8
      QD    PHE   92 - H     LEU   68  far    0    71   0   -  9.5-10.3
      H     LEU   96 - H     ALA  116  far    0    95   0   -  9.9-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 966 from n15no.peaks (3.94, 8.51, 119.75 ppm; 3.38 A):
    2 out of 5 assignments used, quality = 0.97:
      HA    ALA  116 + H     ALA  116  OK    95    95 100 100  2.8-2.9   3.0=100
      HA    ALA  115 + H     ALA  116  OK    42   100  43 100  3.5-3.5   3.6=85, 2.1/982=68, 2.9/565=56, 5.0/1662=28...(12)
      HA    LEU   65 - H     LEU   68  poor  16    53  90  33  3.1-3.5   2485/4.8=26, 2387/4.6=9
      HA    GLN   59 - H     ALA  116  far    0    87   0   -  5.9-6.7
      HA    LEU   89 - H     ALA  116  far    0   100   0   -  6.8-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 967 from n15no.peaks (3.09, 8.51, 119.52 ppm; 5.41 A increased from 5.09 A):
    1 out of 3 assignments used, quality = 0.78:
      HA    CYS   69 + H     LEU   68  OK    78    78 100 100  5.1-5.2   3.0/959=97, 5.8=81, 6.0/972=56, 6.1/971=51...(7)
      HD2   ARG   66 - H     LEU   68  far   10   100  10   -  4.7-7.2
      HB2   PHE   92 - H     ALA  116  far    0    69   0   -  6.0-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 970 from n15no.peaks (0.97, 8.51, 119.52 ppm; 4.00 A increased from 3.55 A):
    2 out of 6 assignments used, quality = 0.98:
      QD2   LEU   68 + H     LEU   68  OK    97   100  98 100  3.5-4.0   809/3.0=79, 2534=79, 2.1/971=72, 3.1/972=66...(14)
      QG2   VAL  119 + H     ALA  116  OK    31    65  50  96  3.9-6.1   1759/3.0=57, ~3959=38, ~3960=38, 3977/133=30...(10)
      HG    LEU   65 - H     LEU   68  far    0    99   0   -  5.6-6.9
      QD2   LEU   87 - H     LEU   68  far    0    60   0   -  8.9-9.8
      HG    LEU   65 - H     ALA  116  far    0    70   0   - 10.0-11.2
    Violated in 1 structures by 0.00 A.
 
    Peak 971 from n15no.peaks (1.05, 8.51, 119.52 ppm; 3.97 A increased from 3.74 A):
    1 out of 2 assignments used, quality = 0.99:
      QD1   LEU   68 + H     LEU   68  OK    99    99 100 100  3.1-3.9   2514=74, 3.1/972=65, 195/3.0=61, 2.1/2534=58...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 972 from n15no.peaks (1.53, 8.51, 119.52 ppm; 3.49 A):
    1 out of 7 assignments used, quality = 0.89:
      HB3   LEU   68 + H     LEU   68  OK    89    90 100  99  2.1-3.5   4.0=66, 3.1/971=44, 4.3/959=38, 3.1/2534=36...(14)
      QB    ALA  117 - H     ALA  116  far    0    68   0   -  4.1-4.2
      HG3   ARG   70 - H     LEU   68  far    0   100   0   -  6.0-8.0
      QB    ALA   63 - H     LEU   68  far    0    87   0   -  6.3-6.7
      QB    ALA   63 - H     ALA  116  far    0    56   0   -  8.6-10.0
      HB2   LEU   96 - H     ALA  116  far    0    64   0   -  9.1-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 973 from n15no.peaks (2.10, 8.51, 119.52 ppm; 3.49 A increased from 3.11 A):
    1 out of 9 assignments used, quality = 0.70:
      QB    GLU   67 + H     LEU   68  OK    70    73 100  96  3.2-3.5   4.0=68, 3.4/963=48, 2.5/2477=30, 5.9/972=20...(10)
      QB    GLU  114 - H     ALA  116  far    0    59   0   -  4.3-4.4
      HG2   PRO  109 - H     ALA  116  far    0    69   0   -  5.1-6.3
      HB2   PRO  112 - H     ALA  116  far    0    72   0   -  5.4-5.7
      HB3   PRO   58 - H     ALA  116  far    0    48   0   -  5.5-5.8
      HB2   LEU  118 - H     ALA  116  far    0    48   0   -  6.9-7.0
      QB    GLN   59 - H     ALA  116  far    0    65   0   -  7.0-8.0
      QB    GLU   85 - H     ALA  116  far    0    44   0   -  8.4-9.1
      QB    PRO   75 - H     LEU   68  far    0    98   0   -  9.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 974 from n15no.peaks (1.95, 8.51, 119.52 ppm; 4.49 A increased from 3.78 A):
    1 out of 9 assignments used, quality = 0.59:
      HG    LEU  118 + H     ALA  116  OK    59    64 100  92  4.2-4.4   3913/565=53, 1293/533=43, 3888/3.6=42, 6.8/1693=26...(7)
      HB2   LEU   65 - H     LEU   68  far    0   100   0   -  5.1-5.7
      HB3   GLU  113 - H     ALA  116  far    0    36   0   -  5.2-5.4
      HB2   LEU   93 - H     ALA  116  far    0    58   0   -  7.0-8.9
      QB    ARG   46 - H     LEU   68  far    0    76   0   -  7.1-7.9
      HB    VAL  104 - H     ALA  116  far    0    56   0   -  7.2-7.7
      HG    LEU  122 - H     ALA  116  far    0    64   0   -  9.1-9.5
      HB2   LEU   65 - H     ALA  116  far    0    72   0   -  9.6-10.3
      QB    ARG  123 - H     ALA  116  far    0    42   0   -  9.8-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 975 from n15no.peaks (3.83, 8.51, 119.75 ppm; 3.82 A):
    1 out of 8 assignments used, quality = 0.65:
      HA    GLU  113 + H     ALA  116  OK    65    65 100  99  3.5-3.7   1623/1662=68, 2446=53, 2.9/634=39, 575/533=37...(15)
      HA    ARG   66 - H     LEU   68  far    0    44   0   -  4.3-4.5
      HD3   PRO  112 - H     ALA  116  far    0    85   0   -  7.3-7.5
      HD3   PRO   58 - H     ALA  116  far    0    97   0   -  8.1-8.5
      HA    VAL  104 - H     ALA  116  far    0    63   0   -  8.3-9.1
      HA    ARG   48 - H     LEU   68  far    0    68   0   -  9.1-9.8
      HA3   GLY  110 - H     ALA  116  far    0    99   0   -  9.4-9.7
      HA    GLU   81 - H     LEU   68  far    0    69   0   -  9.6-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 976 from n15no.peaks (2.10, 8.51, 119.75 ppm; 3.56 A increased from 3.35 A):
    1 out of 9 assignments used, quality = 0.43:
      QB    GLU   67 + H     LEU   68  OK    43    46 100  94  3.2-3.5   4.0=72, 3.4/217=34, 2.5/2477=25, 5.9/983=20...(10)
      QB    GLU  114 - H     ALA  116  far    0    90   0   -  4.3-4.4
      HG2   PRO  109 - H     ALA  116  far    0    99   0   -  5.1-6.3
      HB2   PRO  112 - H     ALA  116  far    0   100   0   -  5.4-5.7
      HB3   PRO   58 - H     ALA  116  far    0    76   0   -  5.5-5.8
      HB2   LEU  118 - H     ALA  116  far    0    76   0   -  6.9-7.0
      QB    GLN   59 - H     ALA  116  far    0    96   0   -  7.0-8.0
      QB    GLU   85 - H     ALA  116  far    0    71   0   -  8.4-9.1
      QB    PRO   75 - H     LEU   68  far    0    68   0   -  9.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 977 from n15no.peaks (0.28, 8.51, 119.75 ppm; 5.06 A increased from 4.76 A):
    1 out of 5 assignments used, quality = 1.00:
      QD2   LEU   62 + H     ALA  116  OK   100   100 100 100  4.4-4.8   1618/1662=91, 2.1/978=89, 2314=72, ~1619=67...(13)
      QD1   LEU   73 - H     LEU   68  far    0    72   0   -  6.2-6.6
      QD2   LEU   62 - H     LEU   68  far    0    71   0   -  7.1-7.9
      HB3   ARG   44 - H     LEU   68  far    0    62   0   -  9.4-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 978 from n15no.peaks (0.49, 8.51, 119.75 ppm; 4.44 A):
    1 out of 3 assignments used, quality = 0.96:
      QD1   LEU   62 + H     ALA  116  OK    96    96 100 100  3.3-3.9   1619/1662=88, 2305=69, 3885/3.0=60, 2.1/977=60...(14)
      QD1   LEU   62 - H     LEU   68  far    0    65   0   -  8.6-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 979 from n15no.peaks (0.75, 8.51, 119.75 ppm; 4.39 A):
    0 out of 6 assignments used, quality = 0.00:
      QD2   LEU   89 + H     ALA  116  far    0    90   0   -  5.1-5.6
      QD1   LEU   65 + H     LEU   68  far    0    72   0   -  5.6-6.3
      QD1   LEU   84 + H     LEU   68  far    0    62   0   -  5.8-6.7
      QD1   LEU   87 + H     LEU   68  far    0    62   0   -  6.5-7.9
      QD1   LEU   65 + H     ALA  116  far    0   100   0   -  7.1-8.0
    Violated in 20 structures by 0.35 A.
 
    Peak 980 from n15no.peaks (0.98, 8.51, 119.75 ppm; 4.11 A increased from 3.87 A):
    2 out of 6 assignments used, quality = 0.83:
      QD2   LEU   68 + H     LEU   68  OK    66    66 100 100  3.5-4.0   809/3.0=79, 2534=66, 3.1/983=65, 2.1/2514=55...(14)
      QG2   VAL  119 + H     ALA  116  OK    48   100  50  97  3.9-6.1   1759/3.0=63, ~3959=40, ~3960=40, 3977/133=36...(10)
      HG    LEU   65 - H     LEU   68  far    0    72   0   -  5.6-6.9
      QD2   LEU   87 - H     LEU   68  far    0    51   0   -  8.9-9.8
      HG    LEU   65 - H     ALA  116  far    0   100   0   - 10.0-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 981 from n15no.peaks (1.25, 8.51, 119.75 ppm; 2.97 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    ALA  116 + H     ALA  116  OK   100   100 100 100  2.0-2.2   2.9=100
      HG3   GLN   91 - H     LEU   68  far    0    38   0   -  7.2-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 982 from n15no.peaks (1.40, 8.51, 119.75 ppm; 3.25 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    ALA  115 + H     ALA  116  OK   100   100 100 100  2.7-2.9   1691=88, 2.9/565=53, 4.6/1662=31, 1295/533=29...(16)
      HG    LEU   62 - H     ALA  116  far    0    99   0   -  4.8-5.4
      HG    LEU   62 - H     LEU   68  far    0    69   0   -  8.8-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 983 from n15no.peaks (1.52, 8.51, 119.75 ppm; 3.71 A):
    1 out of 8 assignments used, quality = 0.68:
      HB3   LEU   68 + H     LEU   68  OK    68    68 100  99  2.1-3.5   4.0=79, 3.1/2514=37, 3.1/2534=33, 3.0/2528=27...(14)
      QB    ALA  117 - H     ALA  116  far    0   100   0   -  4.1-4.2
      HG3   ARG   70 - H     LEU   68  far    0    71   0   -  6.0-8.0
      QB    ALA   63 - H     LEU   68  far    0    44   0   -  6.3-6.7
      HB3   LYS   80 - H     LEU   68  far    0    42   0   -  8.3-10.5
      QB    ALA   63 - H     ALA  116  far    0    71   0   -  8.6-10.0
      HB2   LEU   96 - H     ALA  116  far    0    83   0   -  9.1-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 984 from n15no.peaks (2.59, 8.59, 120.69 ppm; 3.77 A increased from 3.55 A):
    1 out of 3 assignments used, quality = 0.95:
      HB2   CYS   69 + H     CYS   69  OK    95    96 100  99  2.1-3.6   2552=84, 1.8/986=80, 4.3/198=41, 312/91=29...(8)
      HB3   PHE   50 - H     CYS   69  far    0    71   0   -  7.5-8.6
      HD3   ARG   44 - H     CYS   69  far    0    85   0   -  9.1-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 986 from n15no.peaks (2.51, 8.59, 120.69 ppm; 3.53 A):
    1 out of 2 assignments used, quality = 0.97:
      HB3   CYS   69 + H     CYS   69  OK    97    99 100  98  2.4-3.4   2545=72, 1.8/984=66, 4.3/198=35, 311/91=28...(8)
      HG2   PRO  112 - H     CYS   69  far    0    78   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 987 from n15no.peaks (2.13, 8.59, 120.69 ppm; 3.75 A):
    1 out of 5 assignments used, quality = 0.55:
      HB2   LEU   68 + H     CYS   69  OK    55    57 100  95  2.6-3.8   4.3=66, 4.0/959=47, 3.1/2515=38, 2519/96=18...(9)
      QB    GLN   71 - H     CYS   69  far    0    99   0   -  4.6-6.2
      QB    GLU   67 - H     CYS   69  far    0    97   0   -  4.9-5.4
      HB3   GLN   64 - H     CYS   69  far    0    99   0   -  7.1-7.8
      QB    GLU   85 - H     CYS   69  far    0    97   0   -  8.9-10.1
    Violated in 3 structures by 0.00 A.
 
    Peak 988 from n15no.peaks (3.14, 7.96, 118.73 ppm; 3.97 A):
    1 out of 2 assignments used, quality = 0.68:
      HA    CYS   69 + H     ARG   70  OK    68    68 100 100  3.5-3.6   3.6=100
      HD3   ARG   70 - H     ARG   70  far    0    78   0   -  5.0-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 989 from n15no.peaks (2.00, 7.96, 118.73 ppm; 3.15 A):
    1 out of 4 assignments used, quality = 0.88:
      QB    ARG   70 + H     ARG   70  OK    88    89 100  99  2.1-2.2   3.3=84, 276/222=36, 2.5/2607=31, 2.5/2603=29...(14)
      QG    PRO   75 - H     ARG   70  far    0    98   0   -  5.3-6.6
      HB2   GLU   81 - H     ARG   70  far    0    87   0   -  9.1-11.7
      QB    GLN   82 - H     ARG   70  far    0   100   0   -  9.8-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 990 from n15no.peaks (0.74, 7.96, 118.73 ppm; 4.03 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   84 + H     ARG   70  OK    99   100 100  99  2.6-3.7   2996/2.9=74, 2573/3.3=56, 3002/4.3=45, 2574/2607=41...(11)
      QD1   LEU   87 - H     ARG   70  far    0   100   0   -  4.4-6.0
      QD1   LEU   65 - H     ARG   70  far    0    95   0   -  7.8-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 991 from n15no.peaks (0.94, 7.96, 118.73 ppm; 5.07 A increased from 4.51 A):
    1 out of 2 assignments used, quality = 0.87:
     ?HB3   LEU   73 + H     ARG   70  OK    87   100  88 100  4.7-7.0   2559/4.3=85, 208/136=69, 1904/2.9=60, 2564/4.3=57...(6)
      QD2   LEU   68 - H     ARG   70  far    2    73   3   -  5.2-6.4
    Violated in 2 structures by 0.20 A.
 
    Peak 992 from n15no.peaks (1.11, 7.96, 118.73 ppm; 5.22 A increased from 4.64 A):
    2 out of 2 assignments used, quality = 0.95:
      QG2   VAL   88 + H     ARG   70  OK    93   100 100  93  4.6-5.2   2561/4.3=68, 2557/4.3=61, 2554/3.6=46
     ?HB3   LEU   73 + H     ARG   70  OK    23    99  90  25  4.7-7.0   2554/3.6=17, 2557/4.3=8
    Violated in 0 structures by 0.00 A.
 
    Peak 993 from n15no.peaks (2.77, 8.35, 112.81 ppm; 5.50 A increased from 4.89 A):
    0 out of 3 assignments used, quality = 0.00:
      HB3   TRP   72 + H     ARG   74  far    5   100   5   -  4.6-5.8
      HD3   ARG   78 + H     ARG   74  far    0   100   0   -  9.2-11.2
      HB2   ASP   37 + H     ARG   74  far    0    71   0   -  9.9-14.9
    Violated in 20 structures by 0.25 A.
 
    Peak 994 from n15no.peaks (3.20, 8.35, 112.81 ppm; 3.50 A):
    1 out of 3 assignments used, quality = 0.63:
      HD3   PRO   75 + H     ARG   74  OK    63    68  95  97  2.8-3.2   1.8/313=65, 2704=42, 2688/314=24, 1641/996=21...(15)
      QD    ARG   74 - H     ARG   74  far    7    98   8   -  3.2-4.6
      HD2   ARG   70 - H     ARG   74  far    0    73   0   -  5.4-5.7
    Violated in 0 structures by 0.00 A.
 
    Peak 995 from n15no.peaks (2.00, 8.35, 112.81 ppm; 5.01 A increased from 4.01 A):
    2 out of 4 assignments used, quality = 0.99:
      QG    PRO   75 + H     ARG   74  OK    93    98  95 100  4.7-5.0   2.2/994=98, 2.2/313=96, 6.0=57, 2719/7.8=24...(10)
      QB    ARG   70 + H     ARG   74  OK    84    89  95 100  4.3-4.8   2.5/314=91, 2.5/3659=80, 2.5/2604=62, 3.3/2605=58...(11)
      QB    GLU   76 - H     ARG   74  far    0   100   0   -  6.2-6.7
      QB    GLN   82 - H     ARG   74  far    0   100   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 996 from n15no.peaks (1.77, 8.35, 112.81 ppm; 3.61 A):
    1 out of 8 assignments used, quality = 0.37:
      QE    MET   83 + H     ARG   74  OK    37   100  40  93  3.4-4.2   1635/4.6=38, 2648/3.6=34, 1782/1001=30, 1643/5.6=24...(9)
      HG2   ARG   70 - H     ARG   74  far    9    71  13   -  3.6-4.1
      HB3   ARG   74 - H     ARG   74  far    3    63   5   -  3.7-4.0
      QB    LEU   84 - H     ARG   74  far    0    93   0   -  6.9-7.6
      QD    LYS   80 - H     ARG   74  far    0    63   0   -  7.6-9.4
      HG2   ARG   78 - H     ARG   74  far    0   100   0   -  9.3-11.4
      HB2   LEU   86 - H     ARG   74  far    0   100   0   -  9.7-11.8
    Violated in 15 structures by 0.17 A.
 
    Peak 997 from n15no.peaks (1.54, 8.35, 112.81 ppm; 3.29 A):
    1 out of 4 assignments used, quality = 0.23:
     ?HB3   LEU   73 + H     ARG   74  OK    23    56  90  45  2.6-4.2   1645/996=24, 213/314=16, 2678/2704=15
      HG3   ARG   70 - H     ARG   74  far    0    90   0   -  5.1-5.7
      HB3   ARG   78 - H     ARG   74  far    0    90   0   -  8.0-8.7
      HB3   LEU   68 - H     ARG   74  far    0    60   0   -  8.9-9.9
    Violated in 2 structures by 0.09 A.
 
    Peak 998 from n15no.peaks (1.26, 8.35, 112.81 ppm; 4.27 A):
    2 out of 2 assignments used, quality = 0.99:
      HB2   LEU   73 + H     ARG   74  OK    94    99  95 100  3.5-3.8   1.8/997=96, 4.6=78, 3.8/290=62, 3.1/1929=48...(12)
     ?HB3   LEU   73 + H     ARG   74  OK    83    91  95  95  2.6-4.2   752/290=39, 235/3.6=37, 1902/996=33, 1920/1929=31...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 999 from n15no.peaks (0.94, 8.35, 112.81 ppm; 4.40 A):
    1 out of 2 assignments used, quality = 0.97:
     ?HB3   LEU   73 + H     ARG   74  OK    97   100  98 100  2.6-4.2   2681/2704=64, 1900/4.6=61, 2649/3.6=59, 1906/290=55...(10)
      QD2   LEU   68 - H     ARG   74  far    0    73   0   -  7.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1001 from n15no.peaks (-0.64, 8.35, 112.81 ppm; 5.12 A increased from 4.82 A):
    1 out of 1 assignment used, quality = 0.95:
      QD2   LEU   73 + H     ARG   74  OK    95   100  95 100  4.1-5.0   1790=99, 3.1/997=93, 1783/3.6=87, 1782/996=86...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 1002 from n15no.peaks (0.27, 8.35, 112.81 ppm; 4.73 A):
    2 out of 3 assignments used, quality = 0.99:
      QD1   LEU   73 + H     ARG   74  OK    99    99 100 100  2.4-4.1   3.1/997=87, 1929=83, 1928/290=75, 1922/3.6=70...(13)
     ?HB3   LEU   73 + H     ARG   74  OK    38    39 100  99  2.6-4.2   1635/996=96, 237/3.6=23, 1777/1001=20, 755/290=18...(8)
      HB3   ARG   44 - H     ARG   74  far    0    81   0   -  7.2-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1003 from n15no.peaks (0.77, 8.35, 112.81 ppm; 4.15 A):
    2 out of 4 assignments used, quality = 0.90:
     ?HB3   LEU   73 + H     ARG   74  OK    78    97  95  85  2.6-4.2   236/3.6=29, 1901/4.6=24, 1636/996=22, 754/290=22...(8)
      QD1   LEU   84 + H     ARG   74  OK    53    63  85  99  3.7-4.3   2683/313=42, 2996/314=38, 3026=37, 1636/996=32...(15)
      HG    LEU   73 - H     ARG   74  far    7    73  10   -  2.5-4.7
      QD1   LEU   87 - H     ARG   74  far    0    63   0   -  5.7-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1004 from n15no.peaks (0.89, 8.35, 112.81 ppm; 4.34 A):
    1 out of 3 assignments used, quality = 0.20:
     ?HB3   LEU   73 + H     ARG   74  OK    20   100  95  21  2.6-4.2   2681/2704=21
      QG2   VAL   77 - H     ARG   74  far    0   100   0   -  6.9-8.1
      QG1   VAL   77 - H     ARG   74  far    0    96   0   -  8.3-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1005 from n15no.peaks (2.38, 9.83, 119.07 ppm; 4.13 A):
    1 out of 1 assignment used, quality = 0.97:
      HG2   GLU   76 + H     GLU   76  OK    97    97 100 100  2.0-4.2   2.5/1010=83, 2737=69, 1.8/1011=65, 2744/3.0=62...(11)
    Violated in 1 structures by 0.00 A.
 
    Peak 1007 from n15no.peaks (0.90, 9.83, 119.07 ppm; 4.54 A increased from 4.03 A):
    2 out of 3 assignments used, quality = 0.98:
      QG2   VAL   77 + H     GLU   76  OK    96    96 100 100  3.3-4.3   1741=96, 1737/294=80, 1027/296=67, 2694/3.6=59...(10)
      QG1   VAL   77 + H     GLU   76  OK    62   100  63 100  4.3-5.6   2.1/1741=75, 4.0/294=70, 2779/1005=61, 4.0/296=59...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1008 from n15no.peaks (0.74, 9.83, 119.07 ppm; 5.08 A):
    0 out of 3 assignments used, quality = 0.00:
      QD1   LEU   84 + H     GLU   76  far    0    99   0   -  6.0-6.7
      QD1   LEU   87 + H     GLU   76  far    0    99   0   -  8.4-9.2
    Violated in 20 structures by 0.75 A.
 
    Peak 1009 from n15no.peaks (1.51, 9.83, 119.07 ppm; 4.58 A):
    0 out of 4 assignments used, quality = 0.00:
      HB3   ARG   78 + H     GLU   76  far    0    87   0   -  5.2-6.0
      HG3   ARG   70 + H     GLU   76  far    0    87   0   -  7.2-8.5
      HB3   LYS   80 + H     GLU   76  far    0    96   0   -  7.9-9.0
    Violated in 20 structures by 0.58 A.
 
    Peak 1010 from n15no.peaks (2.01, 9.83, 119.07 ppm; 3.30 A):
    1 out of 3 assignments used, quality = 0.84:
      QB    GLU   76 + H     GLU   76  OK    84    85 100  99  2.1-2.7   3.4=90, 2.5/1005=42, 4.0/294=37, 2.5/1011=34...(12)
      QG    PRO   75 - H     GLU   76  far    0    76   0   -  4.4-4.5
      QB    GLN   82 - H     GLU   76  far    0    97   0   -  8.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1011 from n15no.peaks (2.29, 9.83, 119.07 ppm; 4.57 A increased from 4.06 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   GLU   76 + H     GLU   76  OK   100   100 100 100  1.9-4.6   2741=94, 2.5/1010=92, 1.8/1005=88, 2755/294=58...(11)
      QG    GLU  125 - H     GLU  376  far    0    92   0   -  9.7-36.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1012 from n15no.peaks (1.80, 9.83, 119.07 ppm; 3.87 A):
    2 out of 4 assignments used, quality = 0.81:
      HB3   ARG   74 + H     GLU   76  OK    66   100  93  72  3.6-4.1   4.5/310=33, 4.5/311=30, 6.0/2719=21, 7.7=13
      QE    MET   83 + H     GLU   76  OK    43    76 100  56  3.3-3.7   1643/3.6=41, 1647/296=14, 1641/311=13
      HG2   ARG   78 - H     GLU   76  far    0    63   0   -  5.9-7.5
      HG    LEU   84 - H     GLU   76  far    0    78   0   -  8.2-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1014 from n15no.peaks (1.87, 9.83, 119.07 ppm; 3.86 A):
    0 out of 1 assignment used, quality = 0.00:
      HB2   LYS   80 + H     GLU   76  far    0   100   0   -  6.8-8.0
    Violated in 20 structures by 3.55 A.
 
    Peak 1015 from n15no.peaks (2.36, 7.78, 114.15 ppm; 4.19 A):
    1 out of 1 assignment used, quality = 0.57:
      HG2   GLU   76 + H     VAL   77  OK    57    57 100 100  2.1-3.4   2.5/1017=77, 1.8/2755=63, 2779/4.0=53, 5.3=50...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1016 from n15no.peaks (2.20, 7.78, 114.15 ppm; 3.70 A increased from 3.49 A):
    1 out of 2 assignments used, quality = 0.98:
      HB    VAL   77 + H     VAL   77  OK    98    98 100 100  2.4-3.7   2774=86, 2.1/1737=81, 2.1/2763=60, 2759/295=53...(14)
      HB2   MET   83 - H     VAL   77  far    0    83   0   -  6.5-7.9
    Violated in 1 structures by 0.00 A.
 
    Peak 1017 from n15no.peaks (2.00, 7.78, 114.15 ppm; 3.69 A):
    1 out of 4 assignments used, quality = 0.99:
      QB    GLU   76 + H     VAL   77  OK    99   100 100  99  2.7-3.7   4.0=75, 3.4/294=57, 2.5/1015=52, 2.5/2755=42...(9)
      QG    PRO   75 - H     VAL   77  far    0    98   0   -  5.5-6.0
      QB    GLN   82 - H     VAL   77  far    0   100   0   -  8.0-8.9
      QB    ARG   70 - H     VAL   77  far    0    89   0   -  8.9-10.2
    Violated in 3 structures by 0.00 A.
 
    Peak 1018 from n15no.peaks (1.75, 7.78, 114.15 ppm; 4.54 A increased from 3.63 A):
    2 out of 6 assignments used, quality = 0.68:
      QE    MET   83 + H     VAL   77  OK    49    71 100  69  3.8-4.5   1025/295=34, 1645/1019=27, 1643/6.9=19, 1642/8.8=10...(6)
      HG2   ARG   78 + H     VAL   77  OK    37    83  45 100  4.1-5.6   1730/1737=79, 3.0/1019=60, 4.9/295=58, 1.8/2832=51...(9)
      HG2   ARG   70 - H     VAL   77  far    0   100   0   -  8.3-9.2
      QD    LYS   80 - H     VAL   77  far    0    99   0   -  8.4-9.1
      QB    LEU   84 - H     VAL   77  far    0    99   0   - 10.0-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1019 from n15no.peaks (1.53, 7.78, 114.15 ppm; 4.78 A increased from 4.02 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   ARG   78 + H     VAL   77  OK   100   100 100 100  4.3-4.8   1026/295=86, 1729/1737=79, 3.0/2832=50, 6.4/2763=35...(11)
      HG3   ARG   70 - H     VAL   77  far    0   100   0   -  9.0-10.4
    Violated in 2 structures by 0.00 A.
 
    Peak 1020 from n15no.peaks (3.07, 8.03, 122.12 ppm; 4.88 A increased from 4.59 A):
    1 out of 2 assignments used, quality = 0.97:
      HD2   ARG   78 + H     ARG   78  OK    97   100  98 100  4.2-4.8   3.5/1026=81, 3.0/2829=74, 2808/1027=69, 2835=68...(12)
      HE2   LYS   80 - H     ARG   78  far    0    93   0   -  6.6-8.2
    Violated in 1 structures by 0.01 A.
 
    Peak 1021 from n15no.peaks (2.77, 8.03, 122.12 ppm; 5.50 A increased from 4.74 A):
    1 out of 1 assignment used, quality = 1.00:
      HD3   ARG   78 + H     ARG   78  OK   100   100 100 100  4.6-5.4   2837=95, 1.8/1020=93, 3.5/1026=92, 3.0/2829=86...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1022 from n15no.peaks (2.60, 8.03, 122.12 ppm; 5.50 A increased from 4.69 A):
    1 out of 1 assignment used, quality = 0.97:
      HG2   MET   83 + H     ARG   78  OK    97   100 100  97  4.5-5.4   2946/4.0=77, 2780/4.0=63, 2983=41, 3.3/1025=40
    Violated in 0 structures by 0.00 A.
 
    Peak 1023 from n15no.peaks (2.39, 8.03, 122.12 ppm; 5.19 A increased from 4.62 A):
    1 out of 2 assignments used, quality = 0.99:
      HG2   GLU   76 + H     ARG   78  OK    99   100 100 100  4.1-5.3   5.3/295=68, 2737/296=66, 3.9/300=64, 2779/4.0=59...(8)
      HG2   GLU   81 - H     ARG   78  far    0    68   0   -  9.5-12.4
    Violated in 3 structures by 0.01 A.
 
    Peak 1024 from n15no.peaks (2.19, 8.03, 122.12 ppm; 3.90 A increased from 3.67 A):
    1 out of 1 assignment used, quality = 1.00:
      HB    VAL   77 + H     ARG   78  OK   100   100 100 100  3.6-3.7   2759=100, 2.1/1027=82, 2774/295=59, 2775/2829=31...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1025 from n15no.peaks (1.75, 8.03, 122.12 ppm; 3.88 A increased from 3.27 A):
    2 out of 7 assignments used, quality = 0.93:
      HG2   ARG   78 + H     ARG   78  OK    81    83  98 100  2.7-3.9   3.0/1026=65, 1730/1027=59, 2829=56, 272/3.0=53...(12)
      QE    MET   83 + H     ARG   78  OK    64    71 100  90  2.9-3.9   3.3/1022=32, 1645/1026=29, 1647=29, 1018/295=27...(9)
      QD    LYS   80 - H     ARG   78  far    0    99   0   -  7.8-8.6
      HG2   ARG   70 - H     ARG   78  far    0   100   0   -  8.7-9.4
      QB    LEU   84 - H     ARG   78  far    0    99   0   -  9.1-9.7
      HB2   LEU   86 - H     ARG   78  far    0    90   0   -  9.9-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1026 from n15no.peaks (1.52, 8.03, 122.12 ppm; 3.48 A):
    1 out of 4 assignments used, quality = 0.99:
      HB3   ARG   78 + H     ARG   78  OK    99   100 100  99  2.5-2.8   4.0=64, 1729/1027=47, 3.0/2829=39, 3.0/2831=34...(15)
      HB3   LYS   80 - H     ARG   78  far    0    68   0   -  8.2-8.9
      HG3   ARG   70 - H     ARG   78  far    0   100   0   -  9.2-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1027 from n15no.peaks (0.89, 8.03, 122.12 ppm; 3.33 A):
    1 out of 4 assignments used, quality = 0.99:
      QG2   VAL   77 + H     ARG   78  OK    99   100 100 100  1.9-2.2   1738=84, 1737/295=57, 2.1/2759=52, 1729/1026=41...(13)
      QG1   VAL   77 - H     ARG   78  far    0    96   0   -  4.0-4.2
      QD2   LEU   86 - H     ARG   78  far    0   100   0   -  9.3-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1028 from n15no.peaks (0.89, 7.78, 114.15 ppm; 2.97 A):
    2 out of 3 assignments used, quality = 1.00:
      QG2   VAL   77 + H     VAL   77  OK    99   100 100 100  1.9-2.6   1737=88, 2.1/1016=44, 1027/295=42, 2.1/2763=37...(16)
      QG1   VAL   77 + H     VAL   77  OK    37    96  40  98  2.7-3.9   2.1/1737=58, 265/3.0=46, 2.1/1016=44, 4.0=41...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1029 from n15no.peaks (3.07, 8.54, 115.25 ppm; 5.22 A increased from 4.64 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   ARG   78 + H     SER   79  OK   100   100 100 100  4.0-5.1   3.5/1035=86, 1.8/1030=83, 2839=81, 3.0/2833=72...(11)
      HE2   LYS   80 - H     SER   79  far    5    93   5   -  5.3-6.4
    Violated in 1 structures by 0.00 A.
 
    Peak 1030 from n15no.peaks (2.76, 8.54, 115.25 ppm; 5.13 A increased from 4.56 A):
    1 out of 1 assignment used, quality = 0.96:
      HD3   ARG   78 + H     SER   79  OK    96    96 100 100  4.4-4.9   3.5/1035=85, 1.8/1029=79, 2838=74, 3.0/2833=70...(10)
    Violated in 1 structures by 0.00 A.
 
    Peak 1031 from n15no.peaks (2.47, 8.54, 115.25 ppm; 3.91 A increased from 3.68 A):
    1 out of 1 assignment used, quality = 0.49:
      QG    GLN   82 + H     SER   79  OK    49    63 100  79  2.0-3.8   2934=48, 1056/322=34, 4.5/320=33, 1354/326=7
    Violated in 0 structures by 0.00 A.
 
    Peak 1032 from n15no.peaks (2.36, 8.54, 115.25 ppm; 3.57 A):
    0 out of 1 assignment used, quality = 0.00:
      HG2   GLU   76 + H     SER   79  far    0    57   0   -  8.4-9.4
    Violated in 20 structures by 5.50 A.
 
    Peak 1033 from n15no.peaks (1.85, 8.54, 115.25 ppm; 3.63 A):
    0 out of 1 assignment used, quality = 0.00:
      HB2   LYS   80 + H     SER   79  far    0    81   0   -  6.6-7.6
    Violated in 20 structures by 3.37 A.
 
    Peak 1034 from n15no.peaks (1.76, 8.54, 115.25 ppm; 3.64 A):
    0 out of 7 assignments used, quality = 0.00:
      HG2   ARG   78 + H     SER   79  far    0    99   0   -  4.1-4.9
      QE    MET   83 + H     SER   79  far    0    97   0   -  4.2-5.0
      QD    LYS   80 + H     SER   79  far    0    81   0   -  5.7-7.6
      QB    LEU   84 + H     SER   79  far    0    99   0   -  7.9-8.5
      HB2   LEU   86 + H     SER   79  far    0   100   0   -  8.2-10.9
      HG2   ARG   70 + H     SER   79  far    0    87   0   -  9.6-10.8
    Violated in 20 structures by 0.42 A.
 
    Peak 1035 from n15no.peaks (1.51, 8.54, 115.25 ppm; 3.59 A):
    1 out of 4 assignments used, quality = 0.85:
      HB3   ARG   78 + H     SER   79  OK    85    87 100  98  2.9-3.5   3.0/328=61, 4.6=48, 3.0/2833=33, 4.0/321=32...(12)
      HB3   LYS   80 - H     SER   79  far    0    96   0   -  7.1-7.6
      HG3   ARG   70 - H     SER   79  far    0    87   0   -  9.9-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1036 from n15no.peaks (0.90, 8.54, 115.25 ppm; 5.50 A increased from 4.86 A):
    1 out of 4 assignments used, quality = 0.96:
      QG2   VAL   77 + H     SER   79  OK    96    96 100 100  5.1-5.6   2766=94, 1729/1035=84, 1027/4.6=79, 1730/5.3=65...(11)
      QG1   VAL   77 - H     SER   79  far    0   100   0   -  6.5-7.4
      QD2   LEU   86 - H     SER   79  far    0    99   0   -  7.1-7.9
    Violated in 10 structures by 0.03 A.
 
    Peak 1037 from n15no.peaks (2.99, 9.09, 119.98 ppm; 4.77 A):
    1 out of 1 assignment used, quality = 0.99:
      HE3   LYS   80 + H     LYS   80  OK    99    99 100 100  2.3-3.4   1.8/1039=83, 2.5/1040=80, 2895=64, 731/2.9=59...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 1039 from n15no.peaks (3.08, 9.09, 119.98 ppm; 4.62 A):
    1 out of 3 assignments used, quality = 1.00:
      HE2   LYS   80 + H     LYS   80  OK   100   100 100 100  1.9-2.3   2.5/1040=76, 1.8/1037=75, 285/2.9=63, 2893=60...(14)
      HD2   ARG   66 - H     LYS   80  far    0    99   0   -  7.7-11.1
      HD2   ARG   78 - H     LYS   80  far    0    87   0   -  7.9-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1040 from n15no.peaks (1.76, 9.09, 119.98 ppm; 4.26 A):
    1 out of 7 assignments used, quality = 0.93:
      QD    LYS   80 + H     LYS   80  OK    93    93 100 100  1.8-3.6   2.5/1039=60, 289/4.0=59, 2.5/1041=58, 5.1=58...(14)
      QE    MET   83 - H     LYS   80  far    2    87   3   -  4.2-5.2
      HG2   ARG   70 - H     LYS   80  far    0    97   0   -  5.8-7.9
      QB    LEU   84 - H     LYS   80  far    0   100   0   -  5.8-6.1
      HG2   ARG   78 - H     LYS   80  far    0    95   0   -  8.3-8.5
      HB2   LEU   86 - H     LYS   80  far    0    98   0   -  9.4-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1041 from n15no.peaks (1.17, 9.09, 119.98 ppm; 4.74 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   LYS   80 + H     LYS   80  OK   100   100 100 100  1.9-3.9   4.9=89, 2.5/1040=79, ~283=58, 3.9/1039=57...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1042 from n15no.peaks (1.51, 9.09, 119.98 ppm; 4.42 A):
    1 out of 4 assignments used, quality = 0.96:
      HB3   LYS   80 + H     LYS   80  OK    96    96 100 100  2.7-3.6   4.0=100
      HG3   ARG   70 - H     LYS   80  far    0    87   0   -  5.6-7.5
      HB3   ARG   78 - H     LYS   80  far    0    87   0   -  5.9-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1043 from n15no.peaks (1.88, 9.09, 119.98 ppm; 4.43 A):
    1 out of 2 assignments used, quality = 0.99:
      HB2   LYS   80 + H     LYS   80  OK    99    99 100 100  2.4-3.6   4.0=100
      QB    ARG   66 - H     LYS   80  far    0    87   0   -  7.2-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1044 from n15no.peaks (3.06, 8.71, 116.92 ppm; 5.08 A):
    1 out of 4 assignments used, quality = 0.81:
      HE2   LYS   80 + H     GLU   81  OK    81    81 100 100  3.1-4.2   2.5/2896=75, 3.9/1047=68, 4.8/1048=64, 2894=63...(10)
      HD2   ARG   66 - H     GLU   81  far    0    60   0   -  5.9-9.6
      HD3   ARG   66 - H     GLU   81  far    0    78   0   -  6.3-9.3
      HD2   ARG   78 - H     GLU   81  far    0   100   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1046 from n15no.peaks (0.74, 8.71, 116.92 ppm; 5.40 A increased from 4.55 A):
    1 out of 3 assignments used, quality = 1.00:
      QD1   LEU   84 + H     GLU   81  OK   100   100 100 100  4.3-5.2   2861/3.6=79, 1080/337=69, 1074/350=67, 2849/1048=67...(6)
      QD1   LEU   87 - H     GLU   81  far    0   100   0   -  7.5-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1047 from n15no.peaks (1.16, 8.71, 116.92 ppm; 4.38 A):
    1 out of 2 assignments used, quality = 0.99:
      HG3   LYS   80 + H     GLU   81  OK    99    99 100 100  2.4-4.2   3.0/1048=74, 3.0/1049=71, 5.0=67, 2.5/2896=57...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 1048 from n15no.peaks (1.51, 8.71, 116.92 ppm; 3.74 A):
    1 out of 4 assignments used, quality = 0.86:
      HB3   LYS   80 + H     GLU   81  OK    86    96  90 100  2.1-3.9   1.8/1049=70, 4.4=63, 3.0/1047=46, 4.0/334=39...(15)
      HG3   ARG   70 - H     GLU   81  far    0    87   0   -  6.5-8.2
      HB3   ARG   78 - H     GLU   81  far    0    87   0   -  7.3-8.0
    Violated in 3 structures by 0.02 A.
 
    Peak 1049 from n15no.peaks (1.89, 8.71, 116.92 ppm; 3.89 A increased from 3.11 A):
    1 out of 1 assignment used, quality = 0.83:
      HB2   LYS   80 + H     GLU   81  OK    83    83 100 100  3.5-3.9   1.8/1048=79, 4.4=71, 3.0/1047=50, 4.0/334=43...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 1050 from n15no.peaks (2.00, 8.71, 116.92 ppm; 3.65 A increased from 3.08 A):
    1 out of 5 assignments used, quality = 0.87:
      HB2   GLU   81 + H     GLU   81  OK    87    87 100 100  2.8-3.6   2921=78, 1.8/2920=69, 3.0/1051=56, 3.0/1052=55...(16)
      QB    GLN   82 - H     GLU   81  far    0   100   0   -  4.2-4.8
      QG    PRO   75 - H     GLU   81  far    0    98   0   -  4.8-5.5
      QB    ARG   70 - H     GLU   81  far    0    89   0   -  6.0-7.5
      HB2   GLU  113 - H     GLU   81  far    0    81   0   -  9.7-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1051 from n15no.peaks (2.20, 8.71, 116.92 ppm; 3.63 A):
    1 out of 3 assignments used, quality = 0.78:
      HG3   GLU   81 + H     GLU   81  OK    78    83  95 100  1.9-2.3   1.8/1052=71, 3.0/1050=55, 3.0/2920=52, 2913=49...(14)
      HB2   MET   83 - H     GLU   81  far    0    83   0   -  5.3-6.9
      HG3   GLU  113 - H     GLU   81  far    0    73   0   -  9.7-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1052 from n15no.peaks (2.42, 8.71, 116.92 ppm; 3.69 A):
    1 out of 2 assignments used, quality = 0.99:
      HG2   GLU   81 + H     GLU   81  OK    99    99 100 100  2.2-3.6   1.8/1051=75, 2912=69, 3.0/1050=56, 3.0/2920=54...(14)
      QG    GLN   82 - H     GLU   81  far    0    83   0   -  4.0-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1053 from n15no.peaks (3.85, 7.85, 118.66 ppm; 3.98 A):
    1 out of 1 assignment used, quality = 0.96:
      HA    GLU   81 + H     GLN   82  OK    96    96 100 100  3.4-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1054 from n15no.peaks (3.09, 7.85, 118.66 ppm; 5.50 A increased from 5.09 A):
    1 out of 2 assignments used, quality = 0.67:
      HE2   LYS   80 + H     GLN   82  OK    67    95  73  98  4.9-5.7   2894/335=60, 285/2905=56, 3.9/1061=41, 2868/7.6=32...(8)
      HD2   ARG   66 - H     GLN   82  far    0   100   0   -  7.8-11.5
    Violated in 13 structures by 0.06 A.
 
    Peak 1055 from n15no.peaks (2.74, 7.85, 118.66 ppm; 4.79 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1056 from n15no.peaks (2.47, 7.85, 118.66 ppm; 4.02 A increased from 3.22 A):
    1 out of 2 assignments used, quality = 0.79:
      QG    GLN   82 + H     GLN   82  OK    79    81 100  98  2.3-4.0   4.3=79, 4.5/347=47, 305/2.9=43, 1031/322=37...(11)
      HG2   GLU  113 - H     GLN   82  far    0   100   0   -  9.6-10.5
    Violated in 1 structures by 0.00 A.
 
    Peak 1057 from n15no.peaks (2.37, 7.85, 118.66 ppm; 3.41 A):
    0 out of 1 assignment used, quality = 0.00:
      HG2   GLU   85 + H     GLN   82  far    0    85   0   -  4.1-4.6
    Violated in 20 structures by 1.00 A.
 
    Peak 1058 from n15no.peaks (2.23, 7.85, 118.66 ppm; 4.57 A increased from 3.85 A):
    2 out of 2 assignments used, quality = 0.99:
      HG3   GLU   81 + H     GLN   82  OK    99    99 100 100  2.2-4.4   2914=99, 3.0/1062=75, 1375/3.6=67, 2913/335=60...(10)
      HB2   MET   83 + H     GLN   82  OK    43    99  45  97  4.0-5.8   4.0/347=67, 2977/1646=40, 1.8/1061=39, 2991/2905=30...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1059 from n15no.peaks (1.91, 7.85, 118.66 ppm; 3.43 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1060 from n15no.peaks (1.51, 7.85, 118.66 ppm; 4.22 A):
    0 out of 4 assignments used, quality = 0.00:
      HB3   LYS   80 + H     GLN   82  far    0    96   0   -  4.4-5.6
      HB3   ARG   78 + H     GLN   82  far    0    87   0   -  5.8-6.6
      HG3   ARG   70 + H     GLN   82  far    0    87   0   -  8.5-9.6
    Violated in 20 structures by 0.56 A.
 
    Peak 1061 from n15no.peaks (1.65, 7.85, 118.66 ppm; 4.31 A):
    2 out of 3 assignments used, quality = 0.58:
      HG2   LYS   80 + H     GLN   82  OK    37    71  58  92  4.0-6.7   5.0/339=45, 3.9/2905=43, 3.9/1054=37, 7.8/1062=17...(9)
      HB3   MET   83 + H     GLN   82  OK    32    89  40  91  4.2-5.9   4.0/347=61, 4.2/1646=32, 6.6/1056=26, 2990/2905=25...(6)
    Violated in 3 structures by 0.01 A.
 
    Peak 1062 from n15no.peaks (1.97, 7.85, 118.66 ppm; 3.93 A increased from 3.50 A):
    1 out of 3 assignments used, quality = 0.58:
      HB3   GLU   81 + H     GLN   82  OK    58    60 100  96  3.0-3.8   4.6=61, 4.0/335=50, 3.0/2914=49, 3.0/2911=23...(9)
      QG    PRO   75 - H     GLN   82  far    0    87   0   -  5.6-6.5
      QB    ARG   70 - H     GLN   82  far    0    97   0   -  7.4-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1063 from n15no.peaks (1.29, 6.67, 114.91 ppm; 4.72 A):
    1 out of 3 assignments used, quality = 0.95:
      HG3   GLN   91 + HE21  GLN   91  OK    95    95 100 100  2.1-4.1   3.5=100
      HB3   LEU   62 - HE21  GLN   91  far    0    78   0   -  8.3-13.1
      QG2   THR   56 - HE21  GLN   91  far    0    98   0   -  8.8-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1064 from n15no.peaks (1.62, 6.67, 114.91 ppm; 4.31 A):
    2 out of 6 assignments used, quality = 0.98:
      QB    ALA   95 + HE21  GLN   91  OK    98    99 100  99  1.9-4.0   1719/1.7=82, 1720=65, ~446=36, 2.1/416=30...(8)
      QG    ARG   48 + HE21  GLN   91  OK    37   100  50  74  2.9-6.4   3.4/414=52, ~1995=30, 1162/1.7=13, 6.0/416=9
      QG    ARG   46 - HE21  GLN   91  far    0    63   0   -  8.7-10.3
      QG    ARG   66 - HE21  GLN   91  far    0    63   0   -  9.2-12.4
      QB    ALA   43 - HE21  GLN   91  far    0    97   0   -  9.6-11.2
      HG    LEU   45 - HE21  GLN   91  far    0   100   0   -  9.7-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1065 from n15no.peaks (1.83, 6.67, 114.91 ppm; 4.43 A):
    1 out of 2 assignments used, quality = 0.99:
      HG2   GLN   91 + HE21  GLN   91  OK    99    99 100 100  2.2-3.7   3.5=100
      HG    LEU   87 - HE21  GLN   91  far    0    78   0   -  7.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1066 from n15no.peaks (3.21, 8.24, 119.02 ppm; 5.29 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    LEU   73 + H     MET   83  far    0    71   0   -  8.5-9.7
      HD2   ARG   70 + H     MET   83  far    0    87   0   -  8.5-11.4
    Violated in 20 structures by 3.26 A.
 
    Peak 1067 from n15no.peaks (3.07, 8.24, 119.02 ppm; 5.50 A increased from 4.97 A):
    1 out of 4 assignments used, quality = 0.69:
      HD2   ARG   78 + H     MET   83  OK    69   100  70  99  5.2-5.7   3.5/1077=73, 1642/1648=59, 1029/349=56, ~2812=54
      HE2   LYS   80 - H     MET   83  far    0    93   0   -  6.0-6.9
      HD2   ARG   66 - H     MET   83  far    0    78   0   -  8.4-12.0
      HD3   ARG   66 - H     MET   83  far    0    60   0   -  8.5-11.5
    Violated in 19 structures by 0.09 A.
 
    Peak 1068 from n15no.peaks (2.60, 8.24, 119.02 ppm; 3.60 A increased from 3.39 A):
    1 out of 2 assignments used, quality = 0.99:
      HG2   MET   83 + H     MET   83  OK    99   100 100  99  3.4-3.6   2984=67, 311/2.9=51, 1.8/2981=51, 3.3/1070=46...(14)
      HB2   CYS   69 - H     MET   83  far    0   100   0   -  7.5-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1069 from n15no.peaks (2.19, 8.24, 119.02 ppm; 3.23 A):
    0 out of 1 assignment used, quality = 0.00:
      HB    VAL   77 + H     MET   83  far    0   100   0   -  9.6-10.4
    Violated in 20 structures by 6.86 A.
 
    Peak 1070 from n15no.peaks (1.76, 8.24, 119.02 ppm; 3.93 A increased from 3.31 A):
    1 out of 7 assignments used, quality = 0.87:
      QE    MET   83 + H     MET   83  OK    87    87 100 100  3.7-3.9   1648=75, 3.3/1068=60, 1640/2.9=47, 3.3/2981=46...(17)
      QB    LEU   84 - H     MET   83  far    0   100   0   -  4.2-4.6
      HB2   LEU   86 - H     MET   83  far    0    98   0   -  5.0-7.3
      QD    LYS   80 - H     MET   83  far    0    93   0   -  5.2-7.0
      HG2   ARG   78 - H     MET   83  far    0    95   0   -  6.9-7.3
      HG2   ARG   70 - H     MET   83  far    0    97   0   -  8.0-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1072 from n15no.peaks (-0.65, 8.24, 119.02 ppm; 5.50 A increased from 4.98 A):
    1 out of 1 assignment used, quality = 0.75:
      QD2   LEU   73 + H     MET   83  OK    75    93  80 100  4.6-5.6   1784/2.9=88, 1782/1648=80, 2.1/1073=79, 3067/1074=79...(12)
    Violated in 12 structures by 0.06 A.
 
    Peak 1073 from n15no.peaks (0.27, 8.24, 119.02 ppm; 5.50 A increased from 5.16 A):
    1 out of 3 assignments used, quality = 0.35:
      QD1   LEU   73 + H     MET   83  OK    35    99  35 100  4.6-5.9   2.1/1072=79, 2997/1074=78, 1924/2.9=75, 1081/348=74...(13)
      QD2   LEU   62 - H     MET   83  far    0    96   0   -  9.3-10.7
    Violated in 17 structures by 0.12 A.
 
    Peak 1074 from n15no.peaks (0.73, 8.24, 119.02 ppm; 4.21 A):
    1 out of 3 assignments used, quality = 0.99:
      QD1   LEU   84 + H     MET   83  OK    99    99 100 100  3.5-4.1   3025/348=71, 3004/4.0=58, 2.3/3014=54, 1636/1648=42...(14)
      QD1   LEU   87 - H     MET   83  far    0    99   0   -  5.1-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1075 from n15no.peaks (0.96, 8.24, 119.02 ppm; 4.93 A):
    0 out of 1 assignment used, quality = 0.00:
    Violated in 20 structures by 2.04 A.
 
    Peak 1076 from n15no.peaks (1.27, 8.24, 119.02 ppm; 4.91 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   LEU   73 + H     MET   83  far    0    93   0   -  6.0-7.2
    Violated in 20 structures by 1.06 A.
 
    Peak 1077 from n15no.peaks (1.54, 8.24, 119.02 ppm; 4.94 A increased from 3.95 A):
    1 out of 3 assignments used, quality = 0.96:
      HB3   ARG   78 + H     MET   83  OK    96    97 100  99  4.3-4.9   2946/1068=70, 2953/2981=55, 4.6/349=53, 3.5/1067=53...(6)
      HG3   ARG   70 - H     MET   83  far    0    97   0   -  7.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1078 from n15no.peaks (2.21, 8.05, 118.79 ppm; 3.41 A):
    1 out of 2 assignments used, quality = 0.92:
      HB2   MET   83 + H     LEU   84  OK    92    95 100  98  2.6-3.3   4.1=57, 3004/1080=48, 4.0/348=39, 3.0/2980=30...(15)
      HG3   GLU   81 - H     LEU   84  far    0    95   0   -  5.7-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1079 from n15no.peaks (1.76, 8.05, 118.79 ppm; 2.76 A):
    1 out of 7 assignments used, quality = 0.96:
      QB    LEU   84 + H     LEU   84  OK    96    99 100  97  2.2-2.7   3013=61, 2.3/1080=43, 1087/354=33, 321/3022=29...(15)
      QE    MET   83 - H     LEU   84  far    0    97   0   -  3.6-4.2
      HB2   LEU   86 - H     LEU   84  far    0   100   0   -  4.6-6.9
      QD    LYS   80 - H     LEU   84  far    0    81   0   -  5.5-7.0
      HG2   ARG   70 - H     LEU   84  far    0    87   0   -  6.6-7.6
      HG2   ARG   78 - H     LEU   84  far    0    99   0   -  8.4-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1080 from n15no.peaks (0.74, 8.05, 118.79 ppm; 3.34 A):
    1 out of 5 assignments used, quality = 1.00:
      QD1   LEU   84 + H     LEU   84  OK   100   100 100 100  1.8-2.2   3025=99, 2.3/1079=75, 2.1/3022=49, 3004/1078=45...(17)
      QD1   LEU   87 - H     LEU   84  far    0   100   0   -  3.6-4.3
      QD1   LEU   65 - H     LEU   84  far    0    95   0   -  8.9-10.3
      QD2   LEU   89 - H     LEU   84  far    0   100   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1081 from n15no.peaks (0.27, 8.05, 118.79 ppm; 5.00 A):
    1 out of 3 assignments used, quality = 0.99:
      QD1   LEU   73 + H     LEU   84  OK    99    99 100 100  3.4-4.2   2997/1080=81, 2939/1079=80, 2940/3.0=76, 2.1/1082=70...(14)
      QD2   LEU   62 - H     LEU   84  far    0    96   0   -  8.0-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1082 from n15no.peaks (-0.65, 8.05, 118.79 ppm; 5.31 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   73 + H     LEU   84  OK    99    99 100 100  3.5-4.7   3067/1080=89, 2.1/1081=84, 1784/3.6=79, 2941/3.0=68...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 1083 from n15no.peaks (2.19, 7.87, 117.57 ppm; 3.22 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   MET   83 + H     GLU   85  far    0    65   0   -  5.1-5.7
      HG3   GLU   81 + H     GLU   85  far    0    65   0   -  5.2-6.7
    Violated in 20 structures by 1.83 A.
 
    Peak 1084 from n15no.peaks (2.34, 7.87, 117.57 ppm; 3.16 A):
    0 out of 2 assignments used, quality = 0.00:
      HB    VAL   88 + H     GLU   85  far    0    95   0   -  4.1-6.3
      HB2   LEU   87 + H     GLU   85  far    0    98   0   -  6.1-6.7
    Violated in 20 structures by 1.62 A.
 
    Peak 1085 from n15no.peaks (2.41, 7.87, 117.57 ppm; 3.17 A):
    1 out of 2 assignments used, quality = 0.67:
      HG2   GLU   85 + H     GLU   85  OK    67    78  98  88  2.4-2.6   3040=52, 1.8/3037=40, ~325=24, 5.1/358=22...(9)
      HG2   GLU   81 - H     GLU   85  far    0   100   0   -  5.6-7.1
    Violated in 1 structures by 0.01 A.
 
    Peak 1086 from n15no.peaks (2.00, 7.87, 117.57 ppm; 3.37 A):
    0 out of 5 assignments used, quality = 0.00:
      HB2   GLU   81 + H     GLU   85  far    0    97   0   -  4.6-5.6
      QB    GLN   82 + H     GLU   85  far    0   100   0   -  5.3-5.6
      QG    PRO   75 + H     GLU   85  far    0    90   0   -  6.6-7.7
      QB    ARG   70 + H     GLU   85  far    0    73   0   -  6.7-7.6
      HB2   GLU  113 + H     GLU   85  far    0    93   0   -  7.8-9.0
    Violated in 20 structures by 1.21 A.
 
    Peak 1087 from n15no.peaks (1.77, 7.87, 117.57 ppm; 3.19 A):
    1 out of 7 assignments used, quality = 0.90:
      QB    LEU   84 + H     GLU   85  OK    90    93 100  96  2.1-2.5   3012=58, 1079/354=51, 2.3/3024=36, 3009/358=25...(13)
      HB2   LEU   86 - H     GLU   85  far    0   100   0   -  4.4-6.4
      QE    MET   83 - H     GLU   85  far    0   100   0   -  6.0-6.4
      QD    LYS   80 - H     GLU   85  far    0    63   0   -  6.5-8.3
      HG2   ARG   70 - H     GLU   85  far    0    71   0   -  9.0-9.9
      HB2   LEU   62 - H     GLU   85  far    0    89   0   -  9.4-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1088 from n15no.peaks (1.33, 7.87, 117.57 ppm; 5.50 A increased from 5.19 A):
    1 out of 5 assignments used, quality = 0.50:
      HB3   LEU   86 + H     GLU   85  OK    50    96  53 100  4.8-6.1   3.2/358=95, 4.1/357=68, 6.8=53, 3.1/1090=41...(11)
      HB3   LEU   89 - H     GLU   85  far    5    99   5   -  5.3-6.3
      HB3   LEU   65 - H     GLU   85  far    0    76   0   -  7.3-8.7
      HB3   LEU   62 - H     GLU   85  far    0    96   0   -  7.7-9.4
    Violated in 11 structures by 0.21 A.
 
    Peak 1089 from n15no.peaks (1.11, 7.87, 117.57 ppm; 4.62 A):
    1 out of 2 assignments used, quality = 0.98:
      QG2   VAL   88 + H     GLU   85  OK    98   100 100  99  2.9-3.9   3151/3.0=81, ~3032=50, ~3033=37, 1107/357=32...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1090 from n15no.peaks (0.89, 7.87, 117.57 ppm; 5.25 A increased from 4.42 A):
    2 out of 4 assignments used, quality = 1.00:
      QD2   LEU   86 + H     GLU   85  OK   100   100 100 100  3.9-5.1   3077/360=86, 3.1/1088=63, 827/5.8=60, 4.7/357=56...(13)
      QG1   VAL   88 + H     GLU   85  OK    79    90  88 100  3.5-5.4   2.1/1089=89, 2998/1087=77, ~3151=65, 3032/3.0=47...(9)
      QG2   VAL   77 - H     GLU   85  far    0   100   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1091 from n15no.peaks (0.74, 7.87, 117.57 ppm; 4.18 A increased from 3.93 A):
    2 out of 5 assignments used, quality = 0.98:
      QD1   LEU   84 + H     GLU   85  OK    95   100  95 100  4.0-4.3   2.3/1087=89, 3024=87, 1080/354=71, 2.1/3021=48...(15)
      QD1   LEU   87 + H     GLU   85  OK    54   100  55  99  4.0-4.5   3123/3.6=66, 1104/357=45, 3097/354=44, 3029/1085=39...(14)
      QD2   LEU   89 - H     GLU   85  far    0   100   0   -  7.4-8.0
      QD1   LEU   65 - H     GLU   85  far    0    95   0   -  7.5-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1092 from n15no.peaks (2.33, 7.19, 118.75 ppm; 3.77 A):
    0 out of 2 assignments used, quality = 0.00:
      HB    VAL   88 + H     LEU   86  far    0    99   0   -  4.5-7.0
      HB2   LEU   87 + H     LEU   86  far    0   100   0   -  5.0-5.7
    Violated in 20 structures by 1.02 A.
 
    Peak 1093 from n15no.peaks (2.21, 7.19, 118.75 ppm; 3.71 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   MET   83 + H     LEU   86  far    0    95   0   -  4.8-5.7
      HG3   GLU   81 + H     LEU   86  far    0    95   0   -  7.0-9.1
    Violated in 20 structures by 1.57 A.
 
    Peak 1094 from n15no.peaks (1.98, 7.19, 118.75 ppm; 3.91 A):
    0 out of 3 assignments used, quality = 0.00:
      QB    GLN   82 + H     LEU   86  far    0    89   0   -  5.5-6.2
      QG    PRO   75 + H     LEU   86  far    0   100   0   -  8.0-9.1
      QB    ARG   70 + H     LEU   86  far    0   100   0   -  8.3-9.1
    Violated in 20 structures by 1.78 A.
 
    Peak 1095 from n15no.peaks (1.78, 7.19, 118.75 ppm; 3.65 A increased from 2.92 A):
    2 out of 5 assignments used, quality = 0.92:
      HB2   LEU   86 + H     LEU   86  OK    87    87 100 100  2.0-3.6   3.2=100
      HG    LEU   86 + H     LEU   86  OK    38    76  50 100  2.0-4.5   3075=76, 2.1/3077=69, 2.1/1099=60, 337/3.0=45...(15)
      QB    LEU   84 - H     LEU   86  far    0    65   0   -  4.3-4.5
      HG    LEU   87 - H     LEU   86  far    0    68   0   -  5.8-6.2
      QE    MET   83 - H     LEU   86  far    0    98   0   -  6.1-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1096 from n15no.peaks (1.33, 7.19, 118.75 ppm; 3.64 A):
    1 out of 5 assignments used, quality = 0.96:
      HB3   LEU   86 + H     LEU   86  OK    96    96 100 100  2.4-3.4   3.2=100
      HB3   LEU   89 - H     LEU   86  far    0    99   0   -  4.8-5.4
      HB3   LEU   65 - H     LEU   86  far    0    76   0   -  8.0-9.3
      HB3   LEU   62 - H     LEU   86  far    0    96   0   -  9.5-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1097 from n15no.peaks (0.99, 7.19, 118.75 ppm; 4.56 A):
    1 out of 3 assignments used, quality = 0.99:
      QD2   LEU   87 + H     LEU   86  OK    99    99 100 100  3.5-4.5   3114/3.2=78, 1106/359=73, 3093/362=50, ~3117=48...(11)
      HG    LEU   65 - H     LEU   86  far    0    92   0   -  9.3-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1098 from n15no.peaks (0.89, 7.19, 118.75 ppm; 3.63 A):
    1 out of 4 assignments used, quality = 1.00:
      QD2   LEU   86 + H     LEU   86  OK   100   100 100 100  1.9-3.1   3077=100, 2.1/3075=70, 827/3.0=70, 2.1/1099=60...(18)
      QG1   VAL   88 - H     LEU   86  far    0    90   0   -  4.2-6.2
      QG2   VAL   77 - H     LEU   86  far    0   100   0   -  9.6-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1099 from n15no.peaks (0.68, 7.19, 118.75 ppm; 3.96 A increased from 3.73 A):
    1 out of 2 assignments used, quality = 0.95:
      QD1   LEU   86 + H     LEU   86  OK    95    97  98 100  2.9-4.0   3080=96, 2.1/3075=80, 2.1/3077=79, 3055/3.2=72...(19)
    Violated in 4 structures by 0.01 A.
 
    Peak 1100 from n15no.peaks (0.29, 7.19, 118.75 ppm; 5.50 A increased from 5.17 A):
    1 out of 3 assignments used, quality = 0.94:
      QD1   LEU   73 + H     LEU   86  OK    94    99  95 100  4.8-5.5   1103/359=76, 3110/1097=70, 1924/382=64, 2939/3009=63...(13)
      QD2   LEU   62 - H     LEU   86  far    0   100   0   -  7.0-8.3
    Violated in 1 structures by 0.00 A.
 
    Peak 1101 from n15no.peaks (-0.64, 7.19, 118.75 ppm; 4.12 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   73 + H     LEU   86  far    0   100   0   -  4.4-5.2
    Violated in 20 structures by 0.96 A.
 
    Peak 1102 from n15no.peaks (-0.64, 7.57, 121.37 ppm; 4.45 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + H     LEU   87  OK   100   100 100 100  3.6-4.5   1788=82, 3134/1106=70, 3133/1104=68, 2.1/1103=66...(7)
    Violated in 4 structures by 0.01 A.
 
    Peak 1103 from n15no.peaks (0.28, 7.57, 121.37 ppm; 4.80 A):
    1 out of 4 assignments used, quality = 0.95:
      QD1   LEU   73 + H     LEU   87  OK    95   100  95 100  3.8-4.6   1927=89, 3115/1104=87, 2.1/1102=83, 3110/1106=73...(11)
      QD2   LEU   62 - H     LEU   87  far    0   100   0   -  6.8-7.8
      HB3   ARG   44 - H     LEU   87  far    0    93   0   -  9.0-11.9
    Violated in 2 structures by 0.03 A.
 
    Peak 1104 from n15no.peaks (0.73, 7.57, 121.37 ppm; 3.48 A):
    1 out of 5 assignments used, quality = 0.99:
      QD1   LEU   87 + H     LEU   87  OK    99    99 100 100  1.5-1.8   3096=75, 2.1/3091=62, 3.1/1110=53, 2.1/3100=53...(18)
      QD1   LEU   84 - H     LEU   87  far    0    99   0   -  4.6-5.0
      QD2   LEU   89 - H     LEU   87  far    0   100   0   -  6.7-7.1
      QD1   LEU   65 - H     LEU   87  far    0    83   0   -  7.0-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1105 from n15no.peaks (0.88, 7.57, 121.37 ppm; 4.82 A increased from 4.06 A):
    2 out of 3 assignments used, quality = 1.00:
      QD2   LEU   86 + H     LEU   87  OK    99    99 100 100  4.1-4.6   4.7=100
      QG1   VAL   88 + H     LEU   87  OK    25    76  33 100  3.9-5.6   2.1/1107=87, 3.9/364=74, 4.3/366=54, 2998/3011=49...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 1106 from n15no.peaks (1.00, 7.57, 121.37 ppm; 3.69 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   87 + H     LEU   87  OK   100   100 100 100  1.9-2.9   3091=97, 2.1/1104=74, 847/3.0=66, 2.1/3100=60...(17)
      HG    LEU   65 - H     LEU   87  far    0    78   0   -  7.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1107 from n15no.peaks (1.09, 7.57, 121.37 ppm; 4.23 A):
    1 out of 2 assignments used, quality = 0.85:
      QG2   VAL   88 + H     LEU   87  OK    85    87 100  98  2.9-4.0   3161/364=61, 4.3/366=42, 6.5=27, 6.6/1104=26...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 1108 from n15no.peaks (1.33, 7.57, 121.37 ppm; 4.05 A):
    1 out of 5 assignments used, quality = 1.00:
      HB3   LEU   86 + H     LEU   87  OK   100   100 100 100  2.2-3.1   4.1=96, 3.2/359=70, 1.8/1109=45, 2.9/3076=44...(15)
      HB3   LEU   89 - H     LEU   87  far    0   100   0   -  4.9-5.7
      HB3   LEU   65 - H     LEU   87  far    0    90   0   -  6.4-7.7
      HB3   LEU   62 - H     LEU   87  far    0    85   0   -  9.4-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1109 from n15no.peaks (1.78, 7.57, 121.37 ppm; 3.84 A increased from 3.07 A):
    2 out of 6 assignments used, quality = 0.96:
      HB2   LEU   86 + H     LEU   87  OK    87    87 100 100  2.8-3.9   4.1=82, 1.8/1108=69, 3.2/359=64, 3055/4.7=42...(15)
      HG    LEU   87 + H     LEU   87  OK    68    68 100 100  3.4-3.8   2.1/1104=78, 2.1/1106=73, 3.0/1110=66, 3100=58...(15)
      HG    LEU   86 - H     LEU   87  far    0    76   0   -  4.0-5.0
      QB    LEU   84 - H     LEU   87  far    0    65   0   -  4.4-5.0
      QE    MET   83 - H     LEU   87  far    0    98   0   -  6.3-7.0
      QB    ARG   48 - H     LEU   87  far    0   100   0   -  8.9-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1110 from n15no.peaks (2.32, 7.57, 121.37 ppm; 3.37 A):
    1 out of 2 assignments used, quality = 0.99:
      HB2   LEU   87 + H     LEU   87  OK    99   100 100  99  2.7-3.0   4.0=59, 3.1/1104=49, 3.1/1106=46, 3.0/3100=42...(18)
      HB    VAL   88 - H     LEU   87  far    0   100   0   -  4.4-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1111 from n15no.peaks (1.61, 7.61, 121.42 ppm; 2.92 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    ALA   95 + H     ALA   95  OK   100   100 100 100  2.1-2.3   2.9=98, 3.6/445=34, 1177/431=24, 4.4/450=24...(15)
      QG    ARG   48 - H     ALA   95  far    0   100   0   -  6.8-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1112 from n15no.peaks (-0.07, 7.61, 121.42 ppm; 5.50 A increased from 4.77 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   96 + H     ALA   95  OK    99    99 100 100  4.2-5.4   3347/445=87, 2.1/1113=86, 2.1/3361=83, 3311/1111=81...(14)
    Violated in 1 structures by 0.00 A.
 
    Peak 1113 from n15no.peaks (0.56, 7.61, 121.42 ppm; 5.13 A increased from 4.56 A):
    1 out of 1 assignment used, quality = 0.69:
      QD1   LEU   96 + H     ALA   95  OK    69    81  85 100  4.7-5.5   2.1/3361=76, 4.8/445=70, 2.1/1112=69, 5.6/1111=60...(19)
    Violated in 3 structures by 0.05 A.
 
    Peak 1114 from n15no.peaks (2.78, 7.61, 121.42 ppm; 5.13 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    TYR   52 + H     ALA   95  OK   100   100 100 100  4.5-5.0   1713/1111=89, ~1717=51, 1749/1112=50, ~1727=44...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1115 from n15no.peaks (3.15, 7.61, 121.42 ppm; 5.32 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1116 from n15no.peaks (2.51, 8.96, 123.63 ppm; 5.28 A increased from 4.45 A):
    2 out of 2 assignments used, quality = 0.94:
      HB3   CYS   69 + H     VAL   88  OK    81    99 100  82  4.3-5.1   2557/1121=73, 2560/1123=34
      HG2   PRO  112 + H     VAL   88  OK    70    78  90  99  4.5-5.7   1129/401=78, 3149/1121=58, 3789/3.9=57, ~3139=47...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 1117 from n15no.peaks (2.33, 8.96, 123.63 ppm; 3.12 A):
    2 out of 2 assignments used, quality = 0.99:
      HB2   LEU   87 + H     VAL   88  OK    98   100 100  98  2.1-2.6   1.8/1119=43, 3107=37, 1110/369=37, 3.1/1123=35...(18)
      HB    VAL   88 + H     VAL   88  OK    72    99  75  97  2.5-3.6   2.1/1121=59, 4.0=49, 2.1/1122=43, 1130/401=37...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 1118 from n15no.peaks (1.80, 8.96, 123.63 ppm; 4.73 A increased from 3.78 A):
    1 out of 6 assignments used, quality = 0.96:
      HG    LEU   87 + H     VAL   88  OK    96    96 100 100  4.3-4.7   2.1/1123=90, 2.1/3093=80, 3102=79, 3.0/1119=77...(17)
      HG    LEU   84 - H     VAL   88  far    0    78   0   -  5.1-7.0
      HG    LEU   86 - H     VAL   88  far    0    98   0   -  5.8-7.4
      HG3   PRO  112 - H     VAL   88  far    0    71   0   -  6.1-7.4
      QE    MET   83 - H     VAL   88  far    0    76   0   -  7.2-8.0
      QB    ARG   48 - H     VAL   88  far    0    93   0   -  8.1-9.5
    Violated in 1 structures by 0.00 A.
 
    Peak 1119 from n15no.peaks (1.72, 8.96, 123.63 ppm; 4.05 A increased from 3.82 A):
    1 out of 4 assignments used, quality = 0.69:
      HB3   LEU   87 + H     VAL   88  OK    69    71  98 100  3.5-4.0   4.4=76, 1.8/3107=69, 3.1/1123=60, 4.0/369=53...(17)
      HG    LEU   89 - H     VAL   88  far    0    89   0   -  6.9-7.3
      QD    LYS   80 - H     VAL   88  far    0    65   0   - 10.0-11.5
    Violated in 2 structures by 0.01 A.
 
    Peak 1120 from n15no.peaks (1.34, 8.96, 123.63 ppm; 5.40 A increased from 4.55 A):
    3 out of 5 assignments used, quality = 1.00:
      HB3   LEU   86 + H     VAL   88  OK   100   100 100 100  4.4-5.4   4.1/369=82, 3.2/362=82, 5.6/372=57, 6.0/1119=51...(14)
      HB3   LEU   89 + H     VAL   88  OK    99    99 100 100  4.8-5.4   1131/401=89, 1146/367=67, 5.7/1121=62, 5.7/1122=56...(13)
      HB3   LEU   65 + H     VAL   88  OK    83    97  98  87  4.1-5.4   2364/3.9=77, ~3140=45
      HB3   LEU   62 - H     VAL   88  far    0    71   0   -  7.6-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1121 from n15no.peaks (1.11, 8.96, 123.63 ppm; 3.28 A):
    1 out of 2 assignments used, quality = 1.00:
      QG2   VAL   88 + H     VAL   88  OK   100   100 100 100  1.7-2.1   3161=89, 676/3.0=54, 2.1/1122=49, 2.1/3160=46...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 1122 from n15no.peaks (0.91, 8.96, 123.63 ppm; 3.94 A increased from 3.71 A):
    1 out of 4 assignments used, quality = 0.99:
      QG1   VAL   88 + H     VAL   88  OK    99   100 100  99  2.7-3.8   3.9=99
      QD2   LEU   86 - H     VAL   88  far    0    81   0   -  5.6-6.3
      QD1   LEU   93 - H     VAL   88  far    0    73   0   -  8.5-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1123 from n15no.peaks (0.74, 8.96, 123.63 ppm; 3.92 A):
    1 out of 5 assignments used, quality = 1.00:
      QD1   LEU   87 + H     VAL   88  OK   100   100 100 100  1.7-3.0   3098=61, 2.1/3093=58, 1104/369=57, 3.1/1119=55...(22)
      QD1   LEU   84 - H     VAL   88  far    0   100   0   -  4.6-5.3
      QD1   LEU   65 - H     VAL   88  far    0    95   0   -  5.0-6.5
      QD2   LEU   89 - H     VAL   88  far    0   100   0   -  6.3-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1124 from n15no.peaks (0.28, 8.96, 123.63 ppm; 5.13 A):
    1 out of 4 assignments used, quality = 0.95:
      QD1   LEU   73 + H     VAL   88  OK    95   100  95 100  4.1-5.0   3115/1123=87, 3110/3093=69, 1103/369=67, 3125/1118=54...(9)
      QD2   LEU   62 - H     VAL   88  far    0   100   0   -  5.3-6.0
      HB3   ARG   44 - H     VAL   88  far    0    93   0   -  8.9-11.9
    Violated in 2 structures by 0.07 A.
 
    Peak 1129 from n15no.peaks (2.51, 8.51, 120.96 ppm; 4.02 A):
    1 out of 2 assignments used, quality = 0.57:
      HG2   PRO  112 + H     LEU   89  OK    57    60 100  94  3.3-3.8   2.3/470=49, 3811=38, 1.8/3813=38, 3787/4.0=25...(9)
      HB3   CYS   69 - H     LEU   89  far    0   100   0   -  7.0-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1130 from n15no.peaks (2.32, 8.51, 120.96 ppm; 3.24 A):
    1 out of 4 assignments used, quality = 0.56:
      HB    VAL   88 + H     LEU   89  OK    56   100  63  90  2.3-4.2   4.4=39, 2.1/3166=39, 3160/401=34, 2.1/1138=32...(10)
      QG    GLU   99 - H     GLN  101  far    0    75   0   -  4.1-5.2
      HB2   LEU   87 - H     LEU   89  far    0   100   0   -  4.6-4.9
      QB    GLN  107 - H     GLN  101  far    0    58   0   -  9.3-11.2
    Violated in 9 structures by 0.39 A.
 
    Peak 1131 from n15no.peaks (1.34, 8.51, 120.96 ppm; 3.53 A):
    1 out of 4 assignments used, quality = 0.99:
      HB3   LEU   89 + H     LEU   89  OK    99    99 100  99  2.2-2.7   4.0=68, 3.1/3198=42, 1146/404=40, 3.1/3196=39...(16)
      HB3   LEU   65 - H     LEU   89  far    0    97   0   -  5.4-6.7
      HB3   LEU   86 - H     LEU   89  far    0   100   0   -  5.6-6.2
      HB3   LEU   62 - H     LEU   89  far    0    71   0   -  7.3-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1132 from n15no.peaks (0.77, 8.51, 120.96 ppm; 3.70 A):
    0 out of 4 assignments used, quality = 0.00:
      QD1   LEU   87 + H     LEU   89  far    0    63   0   -  4.2-4.8
      QD1   LEU   65 + H     LEU   89  far    0    93   0   -  5.0-6.7
      QD1   LEU   84 + H     LEU   89  far    0    63   0   -  6.8-7.4
      HG    LEU   73 + H     LEU   89  far    0    73   0   -  9.5-10.2
    Violated in 20 structures by 0.74 A.
 
    Peak 1133 from n15no.peaks (0.28, 8.51, 120.96 ppm; 5.42 A increased from 5.10 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + H     LEU   89  OK   100   100 100 100  4.4-5.5   2262/4.3=84, 3177/3.0=80, 3141/3.6=62, 3749/3811=60...(8)
      QD1   LEU   73 - H     LEU   89  far    0   100   0   -  6.3-7.3
    Violated in 2 structures by 0.00 A.
 
    Peak 1134 from n15no.peaks (2.06, 8.50, 120.82 ppm; 2.98 A):
    2 out of 5 assignments used, quality = 0.99:
      HB2   GLN  101 + H     GLN  101  OK    97    99 100  98  2.2-2.3   1.8/1135=47, 3535=46, 2.9/4109=35, 1213/467=34...(18)
      HG3   GLN  101 + H     GLN  101  OK    65    97  68  99  2.7-3.4   1.8/4109=44, 4105=38, 2.9/1135=37, 4089/2.9=35...(23)
      QB    GLU   99 - H     GLN  101  far    0    87   0   -  4.9-5.4
      HB3   PRO   97 - H     GLN  101  far    0    60   0   -  5.5-5.6
      HB3   PRO   58 - H     GLN  101  far    0    97   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1135 from n15no.peaks (1.98, 8.50, 120.82 ppm; 3.69 A increased from 3.11 A):
    1 out of 10 assignments used, quality = 0.71:
      HB3   GLN  101 + H     GLN  101  OK    71    71 100 100  3.5-3.6   4.1=75, 1.8/3535=60, 2.9/4109=55, 2.9/4105=51...(20)
      HB2   ARG  103 - H     GLN  101  far    0    83   0   -  4.8-6.1
      HB    VAL  104 - H     GLN  101  far    0    97   0   -  5.6-6.1
      HB2   LEU   65 - H     LEU   89  far    0    46   0   -  6.1-7.2
      HB3   PRO   98 - H     GLN  101  far    0    95   0   -  6.2-6.3
      HG    LEU   93 - H     GLN  101  far    0    81   0   -  6.4-9.1
      HG    LEU   93 - H     LEU   89  far    0    64   0   -  6.7-9.7
      QB    ARG  123 - H     GLN  101  far    0   100   0   -  8.2-11.0
      QB    GLN   82 - H     LEU   89  far    0    60   0   -  9.4-10.0
      QB    ARG   70 - H     LEU   89  far    0    87   0   -  9.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1136 from n15no.peaks (1.82, 8.50, 120.82 ppm; 3.23 A):
    1 out of 8 assignments used, quality = 0.99:
      HB    ILE  100 + H     GLN  101  OK    99   100 100  99  2.3-2.4   3494=59, 235/454=56, 2.1/1677=45, 2.9/3491=27...(19)
      HG3   PRO  112 - H     LEU   89  far    0    86   0   -  5.0-5.4
      HG    LEU   86 - H     LEU   89  far    0    81   0   -  6.4-7.3
      HG2   GLN   91 - H     LEU   89  far    0    64   0   -  6.5-7.3
      HG    LEU   87 - H     LEU   89  far    0    84   0   -  6.6-7.0
      HG2   ARG  103 - H     GLN  101  far    0    90   0   -  6.8-7.2
      HG    LEU   84 - H     LEU   89  far    0    87   0   -  7.6-9.0
      HG2   ARG  123 - H     GLN  101  far    0   100   0   -  8.4-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1137 from n15no.peaks (1.57, 8.50, 120.82 ppm; 4.23 A increased from 3.76 A):
    1 out of 4 assignments used, quality = 0.61:
      HB2   LEU   96 + H     GLN  101  OK    61    63  98 100  4.0-4.3   4096/4109=57, 3.2/1140=56, 3.2/1141=46, 4090/4105=45...(16)
      HG12  ILE  100 - H     GLN  101  far    2   100   3   -  4.3-4.5
      QG    ARG   66 - H     LEU   89  far    0    68   0   -  8.2-9.6
      HB3   LEU  122 - H     GLN  101  far    0   100   0   -  8.8-9.6
    Violated in 3 structures by 0.01 A.
 
    Peak 1138 from n15no.peaks (1.12, 8.50, 120.82 ppm; 4.13 A increased from 3.89 A):
    1 out of 2 assignments used, quality = 0.83:
      QG2   VAL   88 + H     LEU   89  OK    83    83 100 100  2.2-3.9   4.3=87, 2.1/1130=67, 676/3.6=67, 3161/365=49...(15)
      QG1   VAL  119 - H     GLN  101  far    0    65   0   -  5.2-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1139 from n15no.peaks (0.89, 8.50, 120.82 ppm; 3.22 A):
    3 out of 10 assignments used, quality = 0.98:
      QG2   ILE  100 + H     GLN  101  OK    93    98  95 100  3.1-3.3   2.1/1136=63, 1677=52, 1617/3.6=42, 1674/454=39...(21)
      HB3   LEU   96 + H     GLN  101  OK    58    60 100  97  2.6-2.9   1.8/1137=42, 3.2/1140=31, 4093/4105=28, ~3509=24...(16)
      QG1   VAL   88 + H     LEU   89  OK    30    74  43  96  1.9-3.7   2.1/1130=47, 2.1/1138=43, 4.3=41, 3.9/365=28...(14)
      QQG   VAL  104 - H     GLN  101  far    0    85   0   -  3.6-3.8
      QD1   ILE  100 - H     GLN  101  far    0    97   0   -  4.7-4.8
      QD2   LEU   86 - H     LEU   89  far    0    87   0   -  5.3-5.8
      QD2   LEU  122 - H     GLN  101  far    0    76   0   -  5.4-6.1
      QD1   LEU  122 - H     GLN  101  far    0    78   0   -  5.5-6.0
      QQG   VAL  104 - H     LEU   89  far    0    68   0   -  8.6-9.1
      QD2   LEU  118 - H     GLN  101  far    0    73   0   -  9.4-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1140 from n15no.peaks (0.54, 8.50, 120.82 ppm; 4.41 A):
    1 out of 2 assignments used, quality = 1.00:
      QD1   LEU   96 + H     GLN  101  OK   100   100 100 100  3.1-4.0   3358=81, 3331/2.9=77, 1609/1677=69, 3.2/1137=64...(23)
      QD1   LEU   96 - H     LEU   89  far    0    87   0   -  8.7-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1141 from n15no.peaks (-0.09, 8.50, 120.82 ppm; 5.08 A):
    1 out of 2 assignments used, quality = 0.92:
      QD2   LEU   96 + H     GLN  101  OK    92    92 100 100  4.0-5.0   2.1/1140=89, 3352=83, 3.2/1137=79, 3465/1677=76...(21)
      QD2   LEU   96 - H     LEU   89  far    0    75   0   -  8.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1142 from n15no.peaks (3.14, 7.75, 116.53 ppm; 5.07 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    CYS   69 + H     GLU   90  far    0    68   0   -  9.8-10.9
    Violated in 20 structures by 5.61 A.
 
    Peak 1143 from n15no.peaks (2.47, 7.75, 116.53 ppm; 3.23 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    GLU   90 + H     GLU   90  OK    99   100 100  99  2.2-2.5   3.3=94, 1157/403=36, 3204/407=19, 5.7/1144=18...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1144 from n15no.peaks (2.27, 7.75, 116.53 ppm; 3.45 A):
    1 out of 2 assignments used, quality = 0.95:
      HB2   LEU   89 + H     GLU   90  OK    95   100 100  95  2.1-2.3   1.8/1146=58, 4.6=41, 4.0/404=37, 3.0/1145=31...(10)
      HG3   GLU   85 - H     GLU   90  far    0    98   0   -  6.3-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1145 from n15no.peaks (1.72, 7.75, 116.53 ppm; 4.92 A increased from 3.93 A):
    1 out of 2 assignments used, quality = 0.97:
      HG    LEU   89 + H     GLU   90  OK    97    97 100 100  2.9-4.9   3.0/1144=90, 3.0/1146=82, 3186=75, 5.2/404=55...(7)
      HG3   PRO  109 - H     GLU   90  far    0    65   0   -  8.5-10.0
    Violated in 4 structures by 0.01 A.
 
    Peak 1146 from n15no.peaks (1.34, 7.75, 116.53 ppm; 3.96 A):
    1 out of 4 assignments used, quality = 0.99:
      HB3   LEU   89 + H     GLU   90  OK    99    99 100 100  3.4-3.8   1.8/1144=87, 4.6=62, 1131/404=57, 3.0/1145=43...(11)
      HB3   LEU   86 - H     GLU   90  far    0   100   0   -  5.9-6.6
      HB3   LEU   65 - H     GLU   90  far    0    97   0   -  7.1-8.2
      HB3   LEU   62 - H     GLU   90  far    0    71   0   -  9.4-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1147 from n15no.peaks (0.78, 7.75, 116.53 ppm; 3.90 A):
    0 out of 2 assignments used, quality = 0.00:
      QD1   LEU   65 + H     GLU   90  far    0    63   0   -  6.1-7.5
      QD2   LEU   93 + H     GLU   90  far    0    90   0   -  6.3-7.1
    Violated in 20 structures by 2.18 A.
 
    Peak 1148 from n15no.peaks (0.95, 7.75, 116.53 ppm; 4.33 A):
    0 out of 2 assignments used, quality = 0.00:
      QD1   LEU   93 + H     GLU   90  far    0    89   0   -  5.2-5.6
      HG    LEU   65 + H     GLU   90  far    0    68   0   -  6.7-10.3
    Violated in 20 structures by 1.05 A.
 
    Peak 1149 from n15no.peaks (6.92, 7.92, 119.05 ppm; 4.79 A):
    0 out of 3 assignments used, quality = 0.00:
      QD    PHE   92 + H     GLN   91  far    0   100   0   -  6.1-6.3
      H     LEU   96 + H     GLN   91  far    0    85   0   -  7.5-8.4
      H     PHE   50 + H     GLN   91  far    0    81   0   -  8.1-8.9
    Violated in 20 structures by 1.14 A.
 
    Peak 1150 from n15no.peaks (7.20, 7.92, 119.05 ppm; 4.22 A):
    1 out of 2 assignments used, quality = 0.86:
      HZ    PHE   47 + H     GLN   91  OK    86    87 100  99  3.4-3.7   85=73, 87/3.0=42, 3153/3155=42, 2.2/98=39...(10)
      H     LEU   86 - H     GLN   91  far    0    99   0   -  7.7-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1151 from n15no.peaks (3.98, 7.92, 119.05 ppm; 3.54 A):
    1 out of 3 assignments used, quality = 0.95:
      HA    GLN   91 + H     GLN   91  OK    95    95 100 100  2.8-2.9   3.0=100
      HA    PHE   92 - H     GLN   91  far    0    97   0   -  5.2-5.3
      HA    PRO  112 - H     GLN   91  far    0   100   0   -  6.4-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1152 from n15no.peaks (4.20, 7.92, 119.05 ppm; 4.28 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    LEU   86 + H     GLN   91  far    0    93   0   -  6.9-7.2
    Violated in 20 structures by 2.78 A.
 
    Peak 1153 from n15no.peaks (0.59, 7.92, 119.05 ppm; 5.50 A increased from 4.71 A):
    1 out of 2 assignments used, quality = 0.85:
      QD2   LEU   65 + H     GLN   91  OK    85   100  85 100  4.1-5.6   3217/3.4=73, 1171/413=73, 291/85=68, 3216/4.9=65...(12)
      HG2   ARG   44 - H     GLN   91  far    0    98   0   -  9.5-12.8
    Violated in 4 structures by 0.01 A.
 
    Peak 1154 from n15no.peaks (0.74, 7.92, 119.05 ppm; 4.06 A):
    0 out of 4 assignments used, quality = 0.00:
      QD2   LEU   89 + H     GLN   91  far    0    98   0   -  4.6-5.3
      QD1   LEU   65 + H     GLN   91  far    0    99   0   -  4.8-5.9
      QD1   LEU   87 + H     GLN   91  far    0    99   0   -  5.4-6.3
      QD1   LEU   84 + H     GLN   91  far    0    99   0   -  8.4-9.2
    Violated in 20 structures by 0.34 A.
 
    Peak 1155 from n15no.peaks (1.29, 7.92, 119.05 ppm; 4.74 A increased from 4.21 A):
    1 out of 2 assignments used, quality = 0.94:
      HG3   GLN   91 + H     GLN   91  OK    94    95 100  99  4.0-4.6   4.9=89, 4.9/413=57, 295/85=51, 3216/1153=41...(7)
      HB3   LEU   62 - H     GLN   91  far    0    78   0   -  8.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1156 from n15no.peaks (1.73, 7.92, 119.05 ppm; 3.38 A):
    0 out of 3 assignments used, quality = 0.00:
      HG    LEU   89 + H     GLN   91  far    0   100   0   -  5.2-6.7
      QB    LEU   84 + H     GLN   91  far    0    65   0   -  7.8-8.3
      HG3   PRO  109 + H     GLN   91  far    0    83   0   -  9.8-10.8
    Violated in 20 structures by 2.70 A.
 
    Peak 1157 from n15no.peaks (2.48, 7.92, 119.05 ppm; 3.50 A):
    1 out of 2 assignments used, quality = 0.90:
      QB    GLU   90 + H     GLN   91  OK    90    98 100  92  2.7-2.8   4.0=65, 3.3/403=46, 1164/413=25, 7.1/1155=12...(9)
      HB3   CYS   69 - H     GLN   91  far    0    63   0   -  6.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1158 from n15no.peaks (3.12, 7.92, 119.05 ppm; 4.99 A increased from 4.20 A):
    1 out of 2 assignments used, quality = 0.92:
      HB2   PHE   92 + H     GLN   91  OK    92    95 100  97  4.6-4.8   4.0/413=75, 3168/6.4=38, 7.1=34, 7.5/1155=26...(9)
      HA    CYS   69 - H     GLN   91  far    0   100   0   -  8.9-9.7
    Violated in 1 structures by 0.00 A.
 
    Peak 1159 from n15no.peaks (0.91, 7.92, 119.05 ppm; 4.97 A increased from 3.97 A):
    1 out of 3 assignments used, quality = 0.99:
      QG1   VAL   88 + H     GLN   91  OK    99   100 100  99  4.4-4.8   1169/413=70, 3.2/3155=66, 2762/98=34, 2760/6.5=33...(9)
      QD1   LEU   93 - H     GLN   91  far    0    73   0   -  6.1-6.5
      QD2   LEU   86 - H     GLN   91  far    0    81   0   -  7.7-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1160 from n15no.peaks (1.10, 7.92, 119.05 ppm; 3.93 A):
    0 out of 2 assignments used, quality = 0.00:
      QG2   VAL   88 + H     GLN   91  far    0    97   0   -  4.9-5.3
      QG1   VAL  119 + H     GLN   91  far    0    99   0   -  9.6-10.0
    Violated in 20 structures by 1.27 A.
 
    Peak 1161 from n15no.peaks (1.29, 6.44, 114.91 ppm; 5.14 A):
    1 out of 3 assignments used, quality = 0.98:
      HG3   GLN   91 + HE22  GLN   91  OK    98    98 100 100  2.2-3.8   3.5=100
      QG2   THR   56 - HE22  GLN   91  far    0   100   0   -  8.7-11.8
      HB3   LEU   62 - HE22  GLN   91  far    0    68   0   -  9.4-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1162 from n15no.peaks (1.62, 6.44, 114.91 ppm; 4.46 A):
    2 out of 5 assignments used, quality = 0.99:
      QB    ALA   95 + HE22  GLN   91  OK    99    99 100 100  1.8-4.1   1719=98, 1720/1.7=87, 2.9/446=54, ~416=26...(8)
      QG    ARG   48 + HE22  GLN   91  OK    21   100  25  83  2.9-7.0   3.4/1995=43, ~414=39, ~1996=36, 1064/1.7=22
      QG    ARG   46 - HE22  GLN   91  far    0    63   0   -  8.8-10.3
      HG    LEU   45 - HE22  GLN   91  far    0   100   0   -  9.6-12.7
      QB    ALA   43 - HE22  GLN   91  far    0    97   0   -  9.7-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1163 from n15no.peaks (1.83, 6.44, 114.91 ppm; 4.81 A):
    1 out of 2 assignments used, quality = 0.99:
      HG2   GLN   91 + HE22  GLN   91  OK    99    99 100 100  2.1-4.0   3.5=100
      HG    LEU   87 - HE22  GLN   91  far    0    78   0   -  8.0-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1164 from n15no.peaks (2.47, 9.15, 120.25 ppm; 5.29 A increased from 4.98 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    GLU   90 + H     PHE   92  OK   100   100 100 100  4.8-5.1   1157/413=86, 1143/406=66, 5.3/2935=48, 6.8=48...(11)
      HG2   GLU  113 - H     PHE   92  far    0    99   0   -  9.3-10.1
      HG3   GLN   64 - H     PHE   92  far    0    98   0   -  9.4-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1165 from n15no.peaks (2.32, 9.15, 120.25 ppm; 5.44 A increased from 5.12 A):
    1 out of 2 assignments used, quality = 1.00:
      HB    VAL   88 + H     PHE   92  OK   100   100 100 100  4.5-5.4   2.1/1169=95, 3.0/3158=70, 6.2/2935=43, 7.8/406=28
      HB2   LEU   87 - H     PHE   92  far    0   100   0   -  6.4-6.9
    Violated in 2 structures by 0.01 A.
 
    Peak 1166 from n15no.peaks (1.90, 9.15, 120.25 ppm; 5.10 A increased from 4.29 A):
    1 out of 4 assignments used, quality = 0.89:
      HB3   PRO  112 + H     PHE   92  OK    89    98 100  91  4.2-4.9   3796/1169=67, 3751/1172=55, 3139/3158=36
      QB    ALA   61 - H     PHE   92  far    0    99   0   -  5.6-6.5
      HG    LEU   96 - H     PHE   92  far    0    71   0   -  6.4-9.1
      HB3   PRO  109 - H     PHE   92  far    0    95   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1167 from n15no.peaks (1.72, 9.15, 120.25 ppm; 4.01 A):
    0 out of 2 assignments used, quality = 0.00:
      HG    LEU   89 + H     PHE   92  far    0    89   0   -  5.8-7.1
      HB3   LEU   87 + H     PHE   92  far    0    71   0   -  6.7-7.1
    Violated in 20 structures by 1.97 A.
 
    Peak 1168 from n15no.peaks (1.33, 9.15, 120.25 ppm; 5.46 A increased from 4.60 A):
    1 out of 4 assignments used, quality = 0.81:
      HB3   LEU   65 + H     PHE   92  OK    81    90  90 100  4.8-5.6   3.1/1170=88, 3.1/1171=79, 2364/1169=67, 315/425=59...(8)
      HB3   LEU   89 - H     PHE   92  far    0   100   0   -  5.7-6.0
      HB3   LEU   62 - H     PHE   92  far    0    85   0   -  5.9-8.6
      HB3   LEU   86 - H     PHE   92  far    0   100   0   -  9.4-10.0
    Violated in 3 structures by 0.02 A.
 
    Peak 1169 from n15no.peaks (0.91, 9.15, 120.25 ppm; 4.34 A):
    1 out of 7 assignments used, quality = 0.97:
      QG1   VAL   88 + H     PHE   92  OK    97   100  98 100  3.4-4.4   2769=72, 2262/1172=51, 2.1/1165=49, 1159/413=47...(12)
      QD1   LEU   93 - H     PHE   92  far    0    73   0   -  5.9-6.2
      HB3   LEU   96 - H     PHE   92  far    0    98   0   -  8.7-9.4
      QD2   LEU   86 - H     PHE   92  far    0    81   0   -  8.9-9.5
      QD1   LEU  118 - H     PHE   92  far    0    81   0   -  9.0-9.6
      QG2   ILE  100 - H     PHE   92  far    0    97   0   -  9.1-9.4
      QD2   LEU  118 - H     PHE   92  far    0   100   0   -  9.9-10.4
    Violated in 4 structures by 0.01 A.
 
    Peak 1170 from n15no.peaks (0.76, 9.15, 120.25 ppm; 4.17 A increased from 3.71 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   65 + H     PHE   92  OK    99    99 100 100  3.1-4.0   2401=98, 2394/3.0=75, 2.1/1171=59, 2395/4.5=49...(15)
      QD2   LEU   89 - H     PHE   92  far    2    76   3   -  4.2-4.9
      QD1   LEU   87 - H     PHE   92  far    0    81   0   -  6.4-7.6
      QD1   LEU   84 - H     PHE   92  far    0    81   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1171 from n15no.peaks (0.60, 9.15, 120.25 ppm; 4.77 A increased from 4.49 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   65 + H     PHE   92  OK   100   100 100 100  3.3-4.7   2.1/2401=87, 2409=77, 3229/3.0=68, ~2394=57...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 1172 from n15no.peaks (0.29, 9.15, 120.25 ppm; 4.88 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + H     PHE   92  OK   100   100 100 100  4.0-4.9   2317=98, 2262/1169=73, 2261/1170=70, 147/4.5=64...(14)
      QD1   LEU   73 - H     PHE   92  far    0    99   0   -  8.4-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1173 from n15no.peaks (0.28, 8.13, 115.07 ppm; 5.50 A increased from 5.00 A):
    1 out of 1 assignment used, quality = 0.65:
      QD2   LEU   62 + H     LEU   93  OK    65   100  65 100  4.9-5.8   147/440=83, 3238/444=72, 1172/421=70, 3228/3.6=67...(6)
    Violated in 10 structures by 0.06 A.
 
    Peak 1174 from n15no.peaks (2.35, 7.78, 104.10 ppm; 5.50 A increased from 5.10 A):
    0 out of 3 assignments used, quality = 0.00:
      HG2   GLN  101 + H     GLY   94  far    2    73   3   -  5.6-5.8
      HB    VAL   88 + H     GLY   94  far    0    65   0   -  8.4-9.2
      HB2   LEU   87 + H     GLY   94  far    0    76   0   -  8.9-9.8
    Violated in 20 structures by 0.16 A.
 
    Peak 1175 from n15no.peaks (2.27, 8.13, 115.07 ppm; 5.50 A increased from 4.84 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   LEU   89 - H     LEU   93  poor  18   100  23  78  5.5-5.8   3.1/1953=78
      HB    VAL  119 - H     LEU   93  far    0   100   0   -  8.8-9.6
    Violated in 17 structures by 0.14 A.
 
    Peak 1176 from n15no.peaks (1.95, 7.78, 104.10 ppm; 3.62 A):
    1 out of 4 assignments used, quality = 0.88:
      HB2   LEU   93 + H     GLY   94  OK    88    89 100  99  2.6-3.6   1.8/1178=64, 3280=49, 4.0/422=43, 3.1/1179=37...(15)
      HB3   GLN  101 - H     GLY   94  far    0   100   0   -  7.5-7.8
      HB    VAL  104 - H     GLY   94  far    0    87   0   -  8.9-9.3
      HB2   LEU   65 - H     GLY   94  far    0   100   0   -  9.1-9.8
    Violated in 1 structures by 0.00 A.
 
    Peak 1177 from n15no.peaks (1.61, 7.78, 104.10 ppm; 4.36 A):
    1 out of 2 assignments used, quality = 0.99:
      QB    ALA   95 + H     GLY   94  OK    99    99 100 100  4.2-4.4   1725=85, 2.9/431=83, 3.6/432=55, 2.1/434=52...(18)
      QG    ARG   48 - H     GLY   94  far    0    96   0   -  7.2-9.1
    Violated in 2 structures by 0.00 A.
 
    Peak 1178 from n15no.peaks (1.36, 7.78, 104.10 ppm; 3.96 A):
    1 out of 3 assignments used, quality = 0.98:
      HB3   LEU   93 + H     GLY   94  OK    98    98 100 100  2.5-3.3   1.8/1176=84, 3283=76, 765/422=57, 3.1/1179=45...(13)
      HB3   LEU   89 - H     GLY   94  far    0    65   0   -  7.4-8.1
      HB3   LEU   65 - H     GLY   94  far    0    97   0   -  8.6-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1179 from n15no.peaks (0.92, 7.78, 104.10 ppm; 4.69 A increased from 4.17 A):
    1 out of 6 assignments used, quality = 0.89:
      QD1   LEU   93 + H     GLY   94  OK    89    89 100 100  4.4-4.7   5.0=83, 3.1/1176=81, 3.1/1178=76, 2.1/3292=74...(15)
      HB3   LEU   96 - H     GLY   94  far    0   100   0   -  6.3-7.0
      QG1   VAL   88 - H     GLY   94  far    0    97   0   -  6.7-7.4
      QG2   ILE  100 - H     GLY   94  far    0    87   0   -  7.7-8.1
      QD1   LEU  118 - H     GLY   94  far    0    93   0   -  8.4-8.9
      QD2   LEU  118 - H     GLY   94  far    0   100   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1180 from n15no.peaks (0.79, 7.78, 104.10 ppm; 4.77 A increased from 4.24 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   93 + H     GLY   94  OK   100   100 100 100  4.4-4.7   3292=99, 3.1/1176=83, 881/3.6=82, 3.1/1178=77...(16)
      QD1   LEU   89 - H     GLY   94  far    0    81   0   -  5.0-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1181 from n15no.peaks (0.55, 7.78, 104.10 ppm; 5.17 A increased from 4.87 A):
    1 out of 1 assignment used, quality = 0.84:
      QD1   LEU   96 + H     GLY   94  OK    84    99  85 100  4.8-5.5   3332/3.6=87, 3318/3292=73, 1188/432=67, 768/422=66...(14)
    Violated in 4 structures by 0.05 A.
 
    Peak 1182 from n15no.peaks (2.73, 6.93, 119.17 ppm; 5.27 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1183 from n15no.peaks (2.37, 6.93, 119.17 ppm; 4.76 A):
    1 out of 4 assignments used, quality = 1.00:
      HG2   GLN  101 + H     LEU   96  OK   100   100 100 100  3.5-3.9   1.8/1184=87, 4096/1186=74, 3324/1188=62, 3333/3.8=51...(7)
      QG    GLN  105 - H     LEU   96  far    0    60   0   -  8.1-9.7
      HB2   PRO   58 - H     LEU   96  far    0    78   0   -  9.7-10.8
      HB2   PRO   98 - H     LEU   96  far    0    63   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1184 from n15no.peaks (2.03, 6.93, 119.17 ppm; 4.41 A):
    1 out of 5 assignments used, quality = 0.75:
      HG3   GLN  101 + H     LEU   96  OK    75    76 100  99  3.4-3.8   1.8/1183=69, 3323/1188=47, 4093/3.8=44, 4101=44...(10)
      HB2   GLN  101 - H     LEU   96  far    0    65   0   -  5.6-5.8
      HB3   PRO   97 - H     LEU   96  far    0   100   0   -  6.9-7.1
      QB    GLU   99 - H     LEU   96  far    0    90   0   -  9.2-10.0
      QB    GLU   54 - H     LEU   96  far    0    96   0   -  9.7-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1185 from n15no.peaks (1.87, 6.93, 119.17 ppm; 3.38 A):
    1 out of 2 assignments used, quality = 0.84:
      HG    LEU   96 + H     LEU   96  OK    84   100  85  99  3.0-4.3   3360=66, 3.0/1186=51, 2.1/1188=51, 2.1/3347=46...(9)
      QB    ALA   61 - H     LEU   96  far    0    81   0   -  6.9-8.1
    Violated in 3 structures by 0.14 A.
 
    Peak 1186 from n15no.peaks (1.57, 6.93, 119.17 ppm; 3.48 A):
    1 out of 2 assignments used, quality = 0.63:
      HB2   LEU   96 + H     LEU   96  OK    63    63 100 100  2.1-2.3   3.8=76, 1.8/1187=64, 3.0/1185=55, 3.2/1188=43...(12)
      HG12  ILE  100 - H     LEU   96  far    0   100   0   -  7.1-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1187 from n15no.peaks (0.90, 6.93, 119.17 ppm; 3.77 A):
    1 out of 5 assignments used, quality = 0.90:
      HB3   LEU   96 + H     LEU   96  OK    90    90 100 100  3.3-3.5   3.8=97, 1.8/1186=81, 3.0/1185=64, 3.2/1188=51...(14)
      QG2   ILE  100 - H     LEU   96  far    0   100   0   -  5.6-5.9
      QD1   ILE  100 - H     LEU   96  far    0    73   0   -  7.4-7.7
      QD1   LEU  118 - H     LEU   96  far    0    63   0   -  8.2-8.7
      QG1   VAL   88 - H     LEU   96  far    0   100   0   -  8.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1188 from n15no.peaks (0.54, 6.93, 119.17 ppm; 4.01 A increased from 3.78 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + H     LEU   96  OK   100   100 100 100  3.8-4.0   2.1/1185=85, 2.1/3347=67, 3.2/1186=66, 3.2/1187=61...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 1189 from n15no.peaks (-0.08, 6.93, 119.17 ppm; 4.28 A increased from 3.81 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   96 + H     LEU   96  OK    99    99 100 100  2.7-4.1   3347=98, 2.1/1185=91, 2.1/1188=79, 931/3.0=78...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1190 from n15no.peaks (4.75, 9.55, 117.56 ppm; 4.42 A increased from 4.16 A):
    1 out of 1 assignment used, quality = 0.79:
      HA    PRO   97 + H     GLU   99  OK    79    87 100  90  4.1-4.2   2.5/465=60, 2.5/3444=48, 6.5=32, 7.5/1191=20
    Violated in 0 structures by 0.00 A.
 
    Peak 1191 from n15no.peaks (2.04, 9.55, 117.56 ppm; 3.26 A):
    1 out of 6 assignments used, quality = 0.96:
      QB    GLU   99 + H     GLU   99  OK    96    98 100  98  2.2-2.7   3.4=91, 2.1/1192=49, 3453/224=34, 6.6/453=11...(8)
      HB3   PRO   97 - H     GLU   99  far    0   100   0   -  4.0-4.1
      HB2   GLN  101 - H     GLU   99  far    0    83   0   -  4.7-4.8
      HG3   GLN  101 - H     GLU   99  far    0    90   0   -  5.5-6.2
      QB    GLU   54 - H     GLU   99  far    0    85   0   -  8.8-10.3
      HB2   GLU  125 - H     GLU   99  far    0    78   0   -  9.5-17.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1192 from n15no.peaks (2.36, 9.55, 117.56 ppm; 3.92 A):
    1 out of 2 assignments used, quality = 0.68:
      QG    GLU   99 + H     GLU   99  OK    68    68 100 100  1.9-3.9   4.1=89, 2.1/1191=85, 243/224=49, 7.0/453=16...(9)
      HG2   GLN  101 - H     GLU   99  far    0    97   0   -  6.6-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1193 from n15no.peaks (0.89, 9.55, 117.56 ppm; 5.50 A increased from 5.19 A):
    0 out of 6 assignments used, quality = 0.00:
      QD1   ILE  100 + H     GLU   99  far   14    97  15   -  5.3-5.8
      QG2   ILE  100 + H     GLU   99  far    0    98   0   -  5.7-5.7
      HB3   LEU   96 + H     GLU   99  far    0    60   0   -  5.9-6.0
      QD2   LEU  122 + H     GLU   99  far    0    76   0   -  6.4-6.9
      QQG   VAL  104 + H     GLU   99  far    0    85   0   -  6.7-7.0
      QD1   LEU  122 + H     GLU   99  far    0    78   0   -  7.2-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1194 from n15no.peaks (2.37, 7.62, 112.44 ppm; 3.26 A):
    1 out of 3 assignments used, quality = 0.96:
      HG2   GLN  101 + HE21  GLN  101  OK    96   100  98  98  2.1-2.3   3.4=86, 2.9/1197=31, 656/475=28, 4096/1198=28...(10)
      QG    GLN  105 - HE21  GLN  101  far    0    60   0   -  4.3-6.2
      HB2   PRO   98 - HE21  GLN  101  far    0    63   0   -  9.4-10.0
    Violated in 1 structures by 0.01 A.
 
    Peak 1195 from n15no.peaks (2.50, 7.62, 112.44 ppm; 4.51 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    GLU   90 + HE21  GLN  101  far    0    60   0   -  7.3-8.3
    Violated in 20 structures by 3.28 A.
 
    Peak 1196 from n15no.peaks (2.06, 7.62, 112.44 ppm; 3.61 A increased from 3.40 A):
    1 out of 4 assignments used, quality = 0.94:
      HG3   GLN  101 + HE21  GLN  101  OK    94    97  98 100  3.3-3.5   3.4=100
      HB2   GLN  101 - HE21  GLN  101  far    0    99   0   -  4.1-4.4
      HB3   PRO   97 - HE21  GLN  101  far    0    60   0   -  8.8-9.6
      QB    GLU   99 - HE21  GLN  101  far    0    87   0   -  9.3-10.0
    Violated in 1 structures by 0.02 A.
 
    Peak 1197 from n15no.peaks (1.97, 7.62, 112.44 ppm; 3.79 A):
    2 out of 6 assignments used, quality = 0.90:
      HB3   GLN  101 + HE21  GLN  101  OK    84    87  98  99  3.1-3.5   2.9/1194=68, 4.6=57, 3.0/475=45, 3512/1200=35...(13)
      HG    LEU   93 + HE21  GLN  101  OK    35    63  70  81  2.1-6.0   3.0/1199=38, 2.1/3291=34, ~3269=24, 3265/1201=18...(7)
      HB    VAL  104 - HE21  GLN  101  far    0   100   0   -  5.3-7.1
      HB2   ARG  103 - HE21  GLN  101  far    0    65   0   -  7.8-10.2
      HB3   PRO   98 - HE21  GLN  101  far    0    83   0   -  8.6-9.3
      HB2   PRO  109 - HE21  GLN  101  far    0    78   0   -  9.0-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1198 from n15no.peaks (1.56, 7.62, 112.44 ppm; 4.34 A):
    1 out of 2 assignments used, quality = 0.93:
      HB2   LEU   96 + HE21  GLN  101  OK    93    93 100 100  3.0-3.6   1206/1.7=69, 4096/1194=65, 4090/3.4=56, 3.2/1201=52...(21)
      HG12  ILE  100 - HE21  GLN  101  far    0    85   0   -  8.3-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1199 from n15no.peaks (1.39, 7.62, 112.44 ppm; 4.96 A):
    1 out of 2 assignments used, quality = 0.63:
      HB3   LEU   93 + HE21  GLN  101  OK    63    71 100  89  1.9-4.2   3.1/3291=56, ~3269=35, 2.9/455=32, 3.0/1197=25...(6)
      QB    ALA  115 - HE21  GLN  101  far    0    97   0   -  5.1-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1200 from n15no.peaks (0.90, 7.62, 112.44 ppm; 4.33 A):
    1 out of 7 assignments used, quality = 0.65:
      QQG   VAL  104 + HE21  GLN  101  OK    65    68 100  95  2.6-4.1   3504/1194=56, 3512/4.6=50, 3591/1201=36, 3501/475=27...(8)
      HB3   LEU   96 - HE21  GLN  101  poor  18    78  23   -  4.0-4.5
      QG2   ILE  100 - HE21  GLN  101  far    0   100   0   -  5.0-5.9
      QD1   LEU  122 - HE21  GLN  101  far    0    60   0   -  7.5-9.0
      QD1   ILE  100 - HE21  GLN  101  far    0    87   0   -  7.6-8.3
      QD2   LEU  118 - HE21  GLN  101  far    0    89   0   -  8.2-9.9
      QG1   VAL   88 - HE21  GLN  101  far    0    98   0   -  9.5-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1201 from n15no.peaks (0.54, 7.62, 112.44 ppm; 4.86 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HE21  GLN  101  OK   100   100 100 100  3.2-3.9   3324/1194=74, 3.2/1198=73, 3323/3.4=72, 1209/1.7=69...(29)
    Violated in 0 structures by 0.00 A.
 
    Peak 1202 from n15no.peaks (-0.09, 7.62, 112.44 ppm; 5.50 A increased from 5.25 A):
    1 out of 1 assignment used, quality = 0.30:
      QD2   LEU   96 + HE21  GLN  101  OK    30    92  33 100  5.0-5.7   2.1/1201=90, 3.2/1198=86, 3505/1194=68, ~1209=65...(27)
    Violated in 17 structures by 0.14 A.
 
    Peak 1203 from n15no.peaks (2.38, 6.71, 112.45 ppm; 3.53 A):
    1 out of 3 assignments used, quality = 1.00:
      HG2   GLN  101 + HE22  GLN  101  OK   100   100 100 100  2.2-3.5   3.4=100
      QG    GLN  105 - HE22  GLN  101  far    0    76   0   -  4.5-6.6
      HB2   PRO   98 - HE22  GLN  101  far    0    78   0   -  9.3-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1204 from n15no.peaks (2.04, 6.71, 112.45 ppm; 4.18 A increased from 3.72 A):
    1 out of 3 assignments used, quality = 0.98:
      HG3   GLN  101 + HE22  GLN  101  OK    98    98 100 100  3.4-4.1   3.4=100
      HB2   GLN  101 - HE22  GLN  101  far    2    95   3   -  4.2-5.1
      HB3   PRO   97 - HE22  GLN  101  far    0    98   0   -  9.2-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1205 from n15no.peaks (1.93, 6.71, 112.45 ppm; 4.34 A):
    1 out of 3 assignments used, quality = 0.90:
      HB3   GLN  101 + HE22  GLN  101  OK    90    90 100 100  3.1-3.9   4.6=85, ~1194=55, 3.0/477=46, ~475=41...(13)
      HB2   LEU   93 - HE22  GLN  101  far   10   100  10   -  2.7-6.7
      HB3   ARG  103 - HE22  GLN  101  far    0    87   0   -  9.1-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1206 from n15no.peaks (1.56, 6.71, 112.45 ppm; 4.64 A):
    1 out of 2 assignments used, quality = 0.69:
      HB2   LEU   96 + HE22  GLN  101  OK    69    81  85 100  3.8-4.8   1198/1.7=84, 4096/3.4=72, 4090/3.4=63, 3.2/1209=52...(24)
      HG12  ILE  100 - HE22  GLN  101  far    0    96   0   -  9.1-10.1
    Violated in 3 structures by 0.03 A.
 
    Peak 1207 from n15no.peaks (1.40, 6.71, 112.45 ppm; 5.45 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ALA  115 + HE22  GLN  101  far    0   100   0   -  6.4-8.1
    Violated in 20 structures by 2.06 A.
 
    Peak 1208 from n15no.peaks (0.90, 6.71, 112.45 ppm; 5.50 A increased from 4.92 A):
    0 out of 5 assignments used, quality = 0.00:
      HB3   LEU   96 + HE22  GLN  101  far   16    90  18   -  5.0-5.8
      QG2   ILE  100 + HE22  GLN  101  far    0   100   0   -  6.2-7.2
      QD1   LEU  118 + HE22  GLN  101  far    0    63   0   -  7.3-9.2
      QD1   ILE  100 + HE22  GLN  101  far    0    73   0   -  8.6-9.5
      QD2   LEU  118 + HE22  GLN  101  far    0    97   0   -  9.4-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1209 from n15no.peaks (0.55, 6.71, 112.45 ppm; 5.28 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   96 + HE22  GLN  101  OK    99    99 100 100  4.3-5.3   1201/1.7=89, 3503/3.4=82, 3323/3.4=80, 3.2/1206=77...(28)
    Violated in 3 structures by 0.00 A.
 
    Peak 1210 from n15no.peaks (1.46, 8.08, 118.45 ppm; 2.90 A):
    1 out of 2 assignments used, quality = 0.97:
      QB    ALA  102 + H     ALA  102  OK    97    97 100  99  2.0-2.2   2.9=97, 1794/230=36, 1793/457=18, 3448/3437=13...(9)
      HB3   LEU  118 - H     ALA  102  far    0    97   0   -  9.4-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1211 from n15no.peaks (0.88, 8.08, 118.45 ppm; 4.28 A increased from 4.03 A):
    1 out of 5 assignments used, quality = 0.95:
      QQG   VAL  104 + H     ALA  102  OK    95    96 100  99  3.8-4.1   3512/1214=56, 1586/2.9=56, 3583/230=49, 3596/5.1=38...(13)
      QG2   ILE  100 - H     ALA  102  far    0    90   0   -  4.6-5.0
      QD1   ILE  100 - H     ALA  102  far    0   100   0   -  5.9-6.4
      QD1   LEU  122 - H     ALA  102  far    0    92   0   -  5.9-6.6
      QD2   LEU  122 - H     ALA  102  far    0    90   0   -  6.0-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1212 from n15no.peaks (0.55, 8.08, 118.45 ppm; 5.50 A increased from 5.17 A):
    1 out of 1 assignment used, quality = 0.44:
      QD1   LEU   96 + H     ALA  102  OK    44    93  48 100  5.0-5.7   3331/3.6=83, 3591/1211=79, 4062/1213=71, 4065/1214=70...(16)
    Violated in 17 structures by 0.13 A.
 
    Peak 1213 from n15no.peaks (2.06, 8.08, 118.45 ppm; 3.23 A):
    1 out of 4 assignments used, quality = 0.94:
      HB2   GLN  101 + H     ALA  102  OK    94   100 100  94  2.5-3.0   1.8/1214=58, 3533=49, 3535/457=33, 5.8/1210=17...(11)
      HG3   GLN  101 - H     ALA  102  far    0   100   0   -  4.6-5.0
      QB    GLU   99 - H     ALA  102  far    0    97   0   -  5.2-5.6
      HB3   PRO   97 - H     ALA  102  far    0    78   0   -  7.6-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1214 from n15no.peaks (1.94, 8.08, 118.45 ppm; 3.65 A increased from 3.43 A):
    1 out of 5 assignments used, quality = 0.97:
      HB3   GLN  101 + H     ALA  102  OK    97    97 100  99  2.9-3.5   1.8/1213=84, 3530=63, 3531/457=43, 3512/1211=35...(11)
      HB3   ARG  103 - H     ALA  102  far    0    73   0   -  4.6-6.1
      HB    VAL  104 - H     ALA  102  far    0    71   0   -  6.1-6.7
      HB2   LEU   93 - H     ALA  102  far    0    97   0   -  8.1-10.6
      HG    LEU  122 - H     ALA  102  far    0    99   0   -  8.8-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1215 from n15no.peaks (2.39, 8.58, 118.94 ppm; 3.97 A increased from 3.35 A):
    1 out of 2 assignments used, quality = 0.98:
      QG    GLN  105 + H     GLN  105  OK    98    98 100 100  2.7-3.8   3605=97, 2.1/1216=93, 460/3.0=72, 1588/513=43...(10)
      HG2   GLN  101 - H     GLN  105  far    0    89   0   -  5.7-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1216 from n15no.peaks (2.10, 8.58, 118.94 ppm; 2.86 A):
    1 out of 5 assignments used, quality = 0.94:
      QB    GLN  105 + H     GLN  105  OK    94   100 100  94  2.0-2.3   3.2=70, 2.1/3605=36, 3600/3.6=29, 1587/513=27...(8)
      HG2   PRO  109 - H     GLN  105  far    0    99   0   -  6.6-8.0
      HB2   LEU  118 - H     GLN  105  far    0    76   0   -  8.2-8.8
      HG3   PRO   97 - H     GLN  105  far    0   100   0   -  9.0-10.9
      QB    GLU  114 - H     GLN  105  far    0    90   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1217 from n15no.peaks (2.00, 8.58, 118.94 ppm; 3.26 A):
    0 out of 3 assignments used, quality = 0.00:
      HB2   ARG  103 + H     GLN  105  far    0    99   0   -  4.9-5.8
      HG    LEU   93 + H     GLN  105  far    0    99   0   -  5.4-8.3
      HB2   PRO  109 + H     GLN  105  far    0    96   0   -  8.1-8.9
    Violated in 20 structures by 1.56 A.
 
    Peak 1218 from n15no.peaks (1.44, 8.58, 118.94 ppm; 5.02 A increased from 4.46 A):
    1 out of 1 assignment used, quality = 0.97:
      QB    ALA  102 + H     GLN  105  OK    97    97 100 100  4.6-4.9   2.1/513=96, 1794/495=76, ~1587=57, 4.8/516=56...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1219 from n15no.peaks (0.88, 8.58, 118.94 ppm; 3.28 A):
    1 out of 5 assignments used, quality = 0.99:
      QQG   VAL  104 + H     GLN  105  OK    99   100 100 100  1.8-2.1   3.6=79, 726/637=57, 3601/3.0=47, 1.9/3577=45...(16)
      QG2   ILE  100 - H     GLN  105  far    0    76   0   -  5.2-5.5
      QD1   LEU  122 - H     GLN  105  far    0    99   0   -  5.3-6.0
      QD2   LEU  122 - H     GLN  105  far    0    98   0   -  6.6-7.5
      QD1   ILE  100 - H     GLN  105  far    0   100   0   -  7.3-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1220 from n15no.peaks (0.55, 8.58, 118.94 ppm; 5.50 A increased from 4.70 A):
    1 out of 1 assignment used, quality = 0.69:
      QD1   LEU   96 + H     GLN  105  OK    69    99  70 100  5.1-5.6   3359=97, 3591/1219=97, 725/637=80, 3589/3577=78...(7)
    Violated in 12 structures by 0.05 A.
 
    Peak 1221 from n15no.peaks (2.38, 7.26, 110.68 ppm; 3.29 A):
    1 out of 3 assignments used, quality = 0.90:
      QG    GLN  105 + HE21  GLN  105  OK    90    90 100 100  2.1-2.7   2.3=100
      HG2   GLN  101 - HE21  GLN  105  far    0    97   0   -  3.7-4.8
      HB2   PRO   98 - HE21  GLN  105  far    0    92   0   -  9.2-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1222 from n15no.peaks (2.08, 7.26, 110.68 ppm; 4.03 A):
    1 out of 4 assignments used, quality = 0.97:
      QB    GLN  105 + HE21  GLN  105  OK    97    97 100 100  2.0-3.7   3.8=100
      HB2   GLN  101 - HE21  GLN  105  far    0    63   0   -  4.2-5.0
      HG2   PRO  109 - HE21  GLN  105  far    0    81   0   -  7.4-8.2
      HG3   PRO   97 - HE21  GLN  105  far    0    92   0   -  8.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1223 from n15no.peaks (1.43, 7.26, 110.68 ppm; 5.42 A increased from 5.10 A):
    1 out of 2 assignments used, quality = 0.87:
      QB    ALA  102 + HE21  GLN  105  OK    87    87 100 100  4.9-5.2   2.1/496=90, ~4095=73, ~1588=71, ~497=60...(7)
      QB    ALA  115 - HE21  GLN  105  far    0    76   0   -  6.5-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1224 from n15no.peaks (0.92, 7.26, 110.68 ppm; 4.93 A increased from 4.38 A):
    1 out of 5 assignments used, quality = 0.88:
      QD1   LEU   93 + HE21  GLN  105  OK    88    89 100 100  4.1-5.0   1230/1.7=85, 2.1/1342=73, 3297=73, ~1231=57
      QG2   ILE  100 - HE21  GLN  105  far    0    87   0   -  5.4-6.3
      HB3   LEU   96 - HE21  GLN  105  far    0   100   0   -  5.5-6.8
      QD1   LEU  118 - HE21  GLN  105  far    0    93   0   -  6.0-6.8
      QD2   LEU  118 - HE21  GLN  105  far    0   100   0   -  8.2-8.9
    Violated in 3 structures by 0.00 A.
 
    Peak 1226 from n15no.peaks (2.09, 8.07, 106.66 ppm; 4.50 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    GLN  105 + H     GLY  106  OK   100   100 100 100  2.8-3.0   4.0=100
      HG2   PRO  109 - H     GLY  106  far    0    93   0   -  7.6-8.9
      HB2   LEU  118 - H     GLY  106  far    0    60   0   -  7.9-8.5
      QB    GLU  114 - H     GLY  106  far    0    78   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1227 from n15no.peaks (2.38, 8.07, 106.66 ppm; 5.32 A):
    1 out of 2 assignments used, quality = 0.76:
      QG    GLN  105 + H     GLY  106  OK    76    76 100 100  4.4-4.7   4.3=100
      HG2   GLN  101 - H     GLY  106  far    0   100   0   -  8.5-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1228 from n15no.peaks (2.38, 6.70, 110.68 ppm; 3.72 A):
    1 out of 2 assignments used, quality = 0.90:
      QG    GLN  105 + HE22  GLN  105  OK    90    90 100 100  3.2-3.4   2.3=100
      HG2   GLN  101 - HE22  GLN  105  far    0    97   0   -  4.0-4.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1229 from n15no.peaks (2.06, 6.70, 110.68 ppm; 4.30 A):
    0 out of 2 assignments used, quality = 0.00:
      HG3   GLN  101 + HE22  GLN  105  far    0    97   0   -  5.2-6.3
      HB2   GLN  101 + HE22  GLN  105  far    0    99   0   -  5.3-6.0
    Violated in 20 structures by 0.79 A.
 
    Peak 1230 from n15no.peaks (0.92, 6.70, 110.68 ppm; 4.70 A):
    1 out of 5 assignments used, quality = 0.87:
      QD1   LEU   93 + HE22  GLN  105  OK    87    89 100  98  2.6-3.6   1224/1.7=74, 2.1/1231=68, ~1342=51, 3.9/521=45
      QG2   ILE  100 - HE22  GLN  105  far    0    87   0   -  5.8-6.4
      QD1   LEU  118 - HE22  GLN  105  far    0    93   0   -  5.9-6.2
      HB3   LEU   96 - HE22  GLN  105  far    0   100   0   -  6.0-6.9
      QD2   LEU  118 - HE22  GLN  105  far    0   100   0   -  7.8-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1231 from n15no.peaks (0.80, 6.70, 110.68 ppm; 5.03 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   93 + HE22  GLN  105  OK   100   100 100 100  3.2-4.2   2.1/1230=83, 1342/1.7=72, ~1224=60, ~3297=56...(6)
      QD1   LEU   89 - HE22  GLN  105  far    0    93   0   -  6.5-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1232 from n15no.peaks (2.43, 7.46, 118.05 ppm; 3.55 A):
    1 out of 1 assignment used, quality = 0.94:
      QG    GLN  107 + H     GLN  107  OK    94    99 100  95  1.9-3.6   4.4=53, 4.4/491=37, 3588/528=25, ~503=24...(12)
    Violated in 1 structures by 0.00 A.
 
    Peak 1233 from n15no.peaks (2.32, 7.46, 118.05 ppm; 3.20 A):
    1 out of 1 assignment used, quality = 0.73:
      QB    GLN  107 + H     GLN  107  OK    73    73 100 100  2.2-2.8   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1234 from n15no.peaks (1.98, 7.46, 118.05 ppm; 3.28 A):
    0 out of 5 assignments used, quality = 0.00:
      HB    VAL  104 + H     GLN  107  far    0    97   0   -  5.2-5.9
      HB2   ARG  103 + H     GLN  107  far    0    83   0   -  6.4-7.1
      HB2   PRO  109 + H     GLN  107  far    0    92   0   -  6.8-7.2
      HG    LEU   93 + H     GLN  107  far    0    81   0   -  8.4-10.0
      HB3   GLN  101 + H     GLN  107  far    0    71   0   -  9.1-9.9
    Violated in 20 structures by 1.74 A.
 
    Peak 1235 from n15no.peaks (0.90, 7.46, 118.05 ppm; 3.96 A):
    1 out of 5 assignments used, quality = 0.60:
      QQG   VAL  104 + H     GLN  107  OK    60    68  90  97  3.6-4.0   2.3/528=63, 3.6/509=37, 5.2/490=33, 3609/2.5=23...(14)
      QD2   LEU  118 - H     GLN  107  far    0    89   0   -  5.2-5.6
      QD1   LEU  122 - H     GLN  107  far    0    60   0   -  5.4-6.2
      QG2   ILE  100 - H     GLN  107  far    0   100   0   -  7.2-7.5
      QD1   ILE  100 - H     GLN  107  far    0    87   0   -  8.7-9.2
    Violated in 2 structures by 0.01 A.
 
    Peak 1236 from n15no.peaks (2.43, 7.49, 112.33 ppm; 3.83 A):
    1 out of 1 assignment used, quality = 0.99:
      QG    GLN  107 + HE21  GLN  107  OK    99    99 100 100  2.2-2.6   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1237 from n15no.peaks (2.33, 7.49, 112.33 ppm; 3.67 A):
    0 out of 3 assignments used, quality = 0.00:
      QG    GLU  125 + HE21  GLN  107  far    0    68   0   -  8.6-16.8
      QG    GLU   99 + HE21  GLN  107  far    0    99   0   -  8.9-10.2
      HB2   PRO  126 + HE21  GLN  107  far    0    87   0   -  9.1-21.7
    Violated in 20 structures by 5.62 A.
 
    Peak 1238 from n15no.peaks (1.98, 7.49, 112.33 ppm; 4.74 A increased from 4.21 A):
    1 out of 7 assignments used, quality = 0.92:
      HB    VAL  104 + HE21  GLN  107  OK    92    97  95  99  3.8-4.8   3.0/489=72, ~488=50, 1243/1.7=43, 1.9/1240=43...(12)
      HB2   ARG  103 - HE21  GLN  107  far    0    83   0   -  5.1-6.2
      HB2   PRO  109 - HE21  GLN  107  far    0    92   0   -  6.1-6.7
      HG    LEU   93 - HE21  GLN  107  far    0    81   0   -  8.4-9.7
      HB3   PRO  126 - HE21  GLN  107  far    0    99   0   -  8.7-20.2
      QB    ARG  123 - HE21  GLN  107  far    0   100   0   -  9.1-11.0
      HB3   GLN  101 - HE21  GLN  107  far    0    71   0   -  9.4-10.2
    Violated in 2 structures by 0.05 A.
 
    Peak 1239 from n15no.peaks (1.46, 7.49, 112.33 ppm; 4.93 A):
    1 out of 3 assignments used, quality = 0.97:
      HB3   LEU  118 + HE21  GLN  107  OK    97    97 100 100  2.9-4.5   3.1/3915=73, ~1244=59, 3586/489=53, ~3934=52...(10)
      QB    ALA  102 - HE21  GLN  107  far    0    97   0   -  7.0-8.1
      QB    ALA   42 - HE21  GLN  407  far    0    95   0   -  8.3-21.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1240 from n15no.peaks (0.90, 7.49, 112.33 ppm; 4.01 A increased from 3.77 A):
    2 out of 6 assignments used, quality = 0.90:
      QD2   LEU  118 + HE21  GLN  107  OK    73    89  83 100  3.6-4.8   3934/2.3=66, 3915=65, ~1244=51, 3933/4.0=45...(14)
      QQG   VAL  104 + HE21  GLN  107  OK    64    68  95  99  3.4-4.0   2.3/489=61, 1.9/1238=55, ~488=42, ~3588=34...(16)
      QD1   LEU  122 - HE21  GLN  107  lone   0    60  80   0  3.2-4.4
      QG2   ILE  100 - HE21  GLN  107  far    0   100   0   -  5.6-6.2
      QD1   ILE  100 - HE21  GLN  107  far    0    87   0   -  6.7-7.7
      HB3   LEU   96 - HE21  GLN  107  far    0    78   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1241 from n15no.peaks (2.33, 6.90, 112.33 ppm; 4.08 A):
    0 out of 4 assignments used, quality = 0.00:
      QG    GLU  125 + HE22  GLN  107  far    0    68   0   -  7.8-15.3
      QG    GLU   99 + HE22  GLN  107  far    0    99   0   -  8.0-9.7
      HB2   PRO  126 + HE22  GLN  107  far    0    87   0   -  8.2-20.2
      HG2   GLU   41 + HE22  GLN  407  far    0    93   0   -  9.8-45.5
    Violated in 20 structures by 4.45 A.
 
    Peak 1242 from n15no.peaks (2.45, 6.90, 112.33 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 0.92:
      QG    GLN  107 + HE22  GLN  107  OK    92    92 100 100  3.3-3.4   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1243 from n15no.peaks (1.98, 6.90, 112.33 ppm; 5.12 A increased from 4.55 A):
    2 out of 7 assignments used, quality = 0.99:
      HB    VAL  104 + HE22  GLN  107  OK    97    97 100 100  3.5-5.0   1238/1.7=89, 3.0/488=79, ~489=59, 4.4/512=49...(11)
      HB2   ARG  103 + HE22  GLN  107  OK    62    83  95  78  4.0-5.0   5.8/488=46, 6.3/512=34, ~507=24, 4.8/3579=20
      HB2   PRO  109 - HE22  GLN  107  far    0    92   0   -  5.9-8.1
      HB3   PRO  126 - HE22  GLN  107  far    0    99   0   -  7.9-19.3
      HG    LEU   93 - HE22  GLN  107  far    0    81   0   -  8.6-10.7
      QB    ARG  123 - HE22  GLN  107  far    0   100   0   -  8.8-10.3
      HB3   GLN  101 - HE22  GLN  107  far    0    71   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1244 from n15no.peaks (0.90, 6.90, 112.33 ppm; 3.85 A):
    1 out of 5 assignments used, quality = 0.62:
      QD1   LEU  118 + HE22  GLN  107  OK    62    63 100  98  2.1-3.8   ~3934=41, 3936/2.3=41, ~3915=40, 2.1/3914=34...(14)
      QD2   LEU  118 - HE22  GLN  107  far    5    97   5   -  3.5-5.5
      QG2   ILE  100 - HE22  GLN  107  far    0   100   0   -  5.2-5.9
      QD1   ILE  100 - HE22  GLN  107  far    0    73   0   -  6.4-6.9
      HB3   LEU   96 - HE22  GLN  107  far    0    90   0   -  9.4-10.2
    Violated in 2 structures by 0.00 A.
 
    Peak 1245 from n15no.peaks (2.42, 8.02, 116.42 ppm; 4.85 A):
    1 out of 2 assignments used, quality = 0.95:
      QG    GLN  107 + H     ARG  108  OK    95    95 100 100  1.9-4.5   4.4=100
      QG    GLN  105 - H     ARG  108  far    0    71   0   -  5.5-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1246 from n15no.peaks (2.33, 8.02, 116.42 ppm; 4.34 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1247 from n15no.peaks (2.12, 8.02, 116.42 ppm; 5.50 A increased from 4.89 A):
    1 out of 3 assignments used, quality = 0.82:
      HG2   PRO  109 + H     ARG  108  OK    82    83 100 100  4.9-5.4   2.3/501=98, 6.7=54, 1254/7.1=35, 3931/1251=10...(6)
      HB2   LEU  118 - H     ARG  108  far    0   100   0   -  6.3-6.9
      QB    GLU  114 - H     ARG  108  far    0    96   0   -  6.9-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1248 from n15no.peaks (1.92, 8.02, 116.42 ppm; 4.04 A):
    0 out of 4 assignments used, quality = 0.00:
      HG    LEU  118 + H     ARG  108  far    0    93   0   -  6.9-7.3
      HB3   ARG  103 + H     ARG  108  far    0   100   0   -  7.1-8.0
      HB2   LEU   93 + H     ARG  108  far    0    97   0   -  8.2-9.7
      HG    LEU  122 + H     ARG  108  far    0    93   0   - 10.0-10.8
    Violated in 20 structures by 2.24 A.
 
    Peak 1249 from n15no.peaks (1.78, 8.02, 116.42 ppm; 4.07 A):
    1 out of 3 assignments used, quality = 0.95:
      HB2   ARG  108 + H     ARG  108  OK    95    95 100 100  3.0-4.1   3.9=100
      HG3   PRO  109 - H     ARG  108  far    0    63   0   -  4.9-5.5
      HB2   LEU   45 - H     ARG  408  far    0    81   0   -  9.7-50.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1250 from n15no.peaks (1.58, 8.02, 116.42 ppm; 3.79 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1251 from n15no.peaks (0.91, 8.02, 116.42 ppm; 4.84 A):
    2 out of 4 assignments used, quality = 0.95:
      QD1   LEU  118 + H     ARG  108  OK    79    81 100  98  3.9-4.2   3940/501=53, 3935/4.0=51, 3936/4.4=50, 1244/6.5=35...(11)
      QD2   LEU  118 + H     ARG  108  OK    74   100  75  99  4.6-5.0   3933/4.0=69, 3934/4.4=65, 3939/501=55, 3915/6.5=33...(11)
      QD1   LEU   93 - H     ARG  108  far    0    73   0   -  5.0-5.7
      QG2   ILE  100 - H     ARG  108  far    0    97   0   -  7.5-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1252 from n15no.peaks (2.38, 8.92, 107.40 ppm; 5.50 A increased from 5.04 A):
    1 out of 2 assignments used, quality = 0.59:
      HG2   GLU  114 + H     GLY  110  OK    59    95  63  99  5.5-5.7   3868/537=76, 3867/3.6=72, 5.2/540=50, 2.5/3861=43...(7)
      QG    GLN  105 - H     GLY  110  far    0    76   0   -  7.6-9.3
    Violated in 20 structures by 0.09 A.
 
    Peak 1253 from n15no.peaks (2.24, 8.92, 107.40 ppm; 4.58 A):
    0 out of 3 assignments used, quality = 0.00:
      HG3   GLU  114 + H     GLY  110  far    0    60   0   -  6.2-7.0
      HB2   LEU   89 + H     GLY  110  far    0    71   0   -  6.9-7.9
      HG3   GLU   85 + H     GLY  110  far    0    87   0   -  9.6-10.5
    Violated in 20 structures by 1.67 A.
 
    Peak 1254 from n15no.peaks (2.11, 8.92, 107.40 ppm; 3.76 A):
    1 out of 7 assignments used, quality = 0.85:
      HG2   PRO  109 + H     GLY  110  OK    85    99 100  85  1.9-3.7   1.8/1256=47, 5.0=41, 1685/1692=22, 1260/537=19...(8)
      QB    GLU  114 - H     GLY  110  far    0   100   0   -  4.2-4.4
      QG    GLU   90 - H     GLY  110  far    0    63   0   -  7.3-9.8
      QB    GLN  105 - H     GLY  110  far    0    89   0   -  8.2-9.1
      QB    GLU   85 - H     GLY  110  far    0    97   0   -  8.2-9.0
      HB2   LEU  118 - H     GLY  110  far    0    98   0   -  8.5-8.9
      HB2   PRO  112 - H     GLY  110  far    0    93   0   -  8.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1255 from n15no.peaks (1.91, 8.92, 107.40 ppm; 4.08 A):
    1 out of 5 assignments used, quality = 0.65:
      HB3   PRO  109 + H     GLY  110  OK    65    65 100 100  2.9-3.1   3.9=100
      HB2   LEU   93 - H     GLY  110  far    0    89   0   -  6.0-7.4
      HG    LEU  118 - H     GLY  110  far    0    81   0   -  7.5-7.8
      HB3   PRO  112 - H     GLY  110  far    0   100   0   -  8.1-8.4
      HB3   GLU  113 - H     GLY  110  far    0   100   0   -  9.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1256 from n15no.peaks (1.77, 8.92, 107.40 ppm; 4.80 A):
    1 out of 2 assignments used, quality = 0.81:
      HG3   PRO  109 + H     GLY  110  OK    81    81 100 100  1.9-3.7   1.8/1254=97, 5.0=86, 1262/537=67, 1682/1692=29...(10)
      HB2   ARG  108 - H     GLY  110  far   17    99  18   -  4.4-5.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1257 from n15no.peaks (0.91, 8.92, 107.40 ppm; 5.33 A):
    3 out of 6 assignments used, quality = 1.00:
      QD2   LEU  118 + H     GLY  110  OK   100   100 100 100  5.0-5.4   3689/3.9=90, 3685/3.9=82, 1286/540=53, 3939/5.6=48...(11)
      QD1   LEU   93 + H     GLY  110  OK    70    73 100  95  3.3-4.0   3270/5.0=50, 3675/5.6=42, 3275/5.6=39, 2.1/1258=32...(7)
      QD1   LEU  118 + H     GLY  110  OK    46    81  63  92  5.2-5.5   3924/3.6=56, 3940/5.6=44, 3670/5.6=26, 3931/1254=23...(7)
      QG1   VAL   88 - H     GLY  110  far    0   100   0   -  8.6-9.3
      QD2   LEU   86 - H     GLY  110  far    0    81   0   -  8.8-9.9
      QG2   ILE  100 - H     GLY  110  far    0    97   0   -  9.1-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1258 from n15no.peaks (0.81, 8.92, 107.40 ppm; 4.84 A):
    2 out of 2 assignments used, quality = 0.99:
      QD1   LEU   89 + H     GLY  110  OK    98    99 100  99  3.5-4.3   3713/3.0=68, 3715/3.0=67, 3194/537=67, 3737/559=45...(6)
      QD2   LEU   93 + H     GLY  110  OK    57    97  68  87  4.4-5.4   3266/5.0=53, 3276/5.6=43, 3293/540=30, 2.1/1257=21
    Violated in 0 structures by 0.00 A.
 
    Peak 1259 from n15no.peaks (2.39, 7.45, 111.47 ppm; 4.18 A):
    1 out of 3 assignments used, quality = 1.00:
      HG2   GLU  114 + H     SER  111  OK   100   100 100 100  3.5-4.0   2.5/3857=79, 3868=76, 1.8/3863=54, 3869/563=49...(9)
      HG2   GLU   85 - H     SER  111  far    0   100   0   -  8.3-10.0
      QG    GLN  105 - H     SER  111  far    0    98   0   -  9.7-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1260 from n15no.peaks (2.11, 7.45, 111.47 ppm; 3.10 A):
    2 out of 6 assignments used, quality = 0.99:
      QB    GLU  114 + H     SER  111  OK    98   100 100  98  2.6-3.0   3857=66, 2.5/1259=35, 1282/566=33, 3.4/563=27...(14)
      HG2   PRO  109 + H     SER  111  OK    41    99  45  92  2.8-4.3   2.3/1261=43, 1254/537=36, 1.8/1262=32, 3.8/553=25...(11)
      QB    GLU   85 - H     SER  111  far    0    97   0   -  6.3-7.0
      HB2   PRO  112 - H     SER  111  far    0    93   0   -  7.1-7.2
      QG    GLU   90 - H     SER  111  far    0    63   0   -  7.5-10.3
      HB2   LEU  118 - H     SER  111  far    0    98   0   -  8.8-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1261 from n15no.peaks (1.89, 7.45, 111.47 ppm; 3.86 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   PRO  109 + H     SER  111  OK   100   100 100 100  2.2-2.2   2.3/553=56, 2.3/1262=53, 3.9/537=53, 3700=47...(13)
      HB3   PRO  112 - H     SER  111  far    0    78   0   -  6.5-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1262 from n15no.peaks (1.77, 7.45, 111.47 ppm; 4.50 A):
    1 out of 2 assignments used, quality = 0.81:
      HG3   PRO  109 + H     SER  111  OK    81    81 100 100  2.8-4.2   2.3/1261=84, 2.3/3702=62, 3.8/553=56, 1256/537=55...(12)
      HB2   ARG  108 - H     SER  111  far    0    99   0   -  6.8-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1263 from n15no.peaks (1.42, 7.45, 111.47 ppm; 4.47 A):
    1 out of 2 assignments used, quality = 0.90:
      QB    ALA  115 + H     SER  111  OK    90    90 100 100  3.6-4.2   1284/566=74, 3686/1261=58, 5.0/3857=49, 1689/563=41...(16)
      HG    LEU   62 - H     SER  111  far    0    63   0   -  8.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1264 from n15no.peaks (0.79, 7.45, 111.47 ppm; 4.43 A increased from 3.73 A):
    1 out of 2 assignments used, quality = 0.80:
      QD1   LEU   89 + H     SER  111  OK    80    81 100 100  3.4-4.4   3194=74, 2.1/3199=70, 3737/2.9=70, 3713/3.5=52...(8)
      QD2   LEU   93 - H     SER  111  far    0   100   0   -  4.9-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1265 from n15no.peaks (0.92, 7.45, 111.47 ppm; 5.19 A increased from 4.62 A):
    2 out of 6 assignments used, quality = 0.99:
      QD2   LEU  118 + H     SER  111  OK    95   100  95 100  5.0-5.3   3685/1261=76, 3880/3857=73, 3917/566=72, 3689/3702=69...(10)
      QD1   LEU   93 + H     SER  111  OK    80    89 100  90  4.0-5.1   3270/1262=57, 3299/566=48, 3675/3707=22, 1257/537=20...(6)
      QD1   LEU  118 - H     SER  111  far    0    93   0   -  5.9-6.1
      QG1   VAL   88 - H     SER  111  far    0    97   0   -  7.2-7.8
      QD2   LEU   86 - H     SER  111  far    0    63   0   -  7.8-8.9
      QG2   ILE  100 - H     SER  111  far    0    87   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1266 from n15no.peaks (2.48, 8.93, 117.42 ppm; 3.81 A):
    1 out of 3 assignments used, quality = 0.92:
      HG2   GLU  113 + H     GLU  113  OK    92    92 100 100  2.5-3.3   3818=68, 3.0/1268=68, 1.8/1267=67, 3.0/1269=59...(21)
      HG2   GLN   59 - H     GLU  113  far    0    78   0   -  9.3-10.3
      QB    GLU   90 - H     GLU  113  far    0    98   0   -  9.8-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1267 from n15no.peaks (2.23, 8.93, 117.42 ppm; 4.08 A increased from 3.63 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   GLU  113 + H     GLU  113  OK   100   100 100 100  3.9-4.1   3820=95, 1.8/1266=83, 3.0/1268=76, 1431/2.9=74...(19)
      HG3   GLU   81 - H     GLU  113  far    0    99   0   -  8.3-10.8
    Violated in 5 structures by 0.00 A.
 
    Peak 1268 from n15no.peaks (2.04, 8.93, 117.42 ppm; 3.18 A):
    1 out of 1 assignment used, quality = 0.64:
      HB2   GLU  113 + H     GLU  113  OK    64    65 100  98  2.1-2.4   1.8/1269=55, 4.0=49, 3.0/1266=40, 3.0/1267=36...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1269 from n15no.peaks (1.91, 8.93, 117.42 ppm; 3.70 A increased from 3.12 A):
    1 out of 6 assignments used, quality = 0.96:
      HB3   GLU  113 + H     GLU  113  OK    96    96 100 100  3.4-3.6   3827=91, 1.8/1268=87, 3.0/1266=54, 3.0/1267=50...(20)
      HB3   PRO  112 - H     GLU  113  far    0   100   0   -  3.9-4.1
      HB3   PRO  109 - H     GLU  113  far    0    83   0   -  5.8-6.2
      HB2   LEU   93 - H     GLU  113  far    0    73   0   -  7.7-10.3
      HG    LEU  118 - H     GLU  113  far    0    63   0   -  8.4-8.7
      QB    ALA   61 - H     GLU  113  far    0    95   0   -  8.4-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1270 from n15no.peaks (1.39, 8.93, 117.42 ppm; 5.35 A increased from 4.76 A):
    2 out of 3 assignments used, quality = 0.98:
      QB    ALA  115 + H     GLU  113  OK    97    97 100 100  4.9-5.1   3742/3.6=88, 2.9/543=84, 1689/535=73, 982/634=71...(17)
      HG    LEU   62 + H     GLU  113  OK    50   100  50 100  4.1-6.3   2.1/1275=87, 2.1/1274=80, ~3837=64, ~3836=61...(9)
      HB3   LEU   93 - H     GLU  113  far    0    71   0   -  8.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1271 from n15no.peaks (1.26, 8.93, 117.42 ppm; 5.02 A increased from 4.72 A):
    1 out of 1 assignment used, quality = 0.97:
      QB    ALA  116 + H     GLU  113  OK    97    97 100 100  4.6-4.8   1663=96, 3842/2.9=92, 2.9/634=69, 1619/1274=60...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1272 from n15no.peaks (0.88, 8.93, 117.42 ppm; 5.01 A):
    0 out of 2 assignments used, quality = 0.00:
      QQG   VAL  104 + H     GLU  113  far    0   100   0   -  7.6-8.2
      QD2   LEU   86 + H     GLU  113  far    0    95   0   -  8.0-9.0
    Violated in 20 structures by 2.40 A.
 
    Peak 1273 from n15no.peaks (0.77, 8.93, 117.42 ppm; 5.14 A):
    0 out of 3 assignments used, quality = 0.00:
      QD1   LEU   65 + H     GLU  113  far    0    93   0   -  6.9-8.1
      QD1   LEU   87 + H     GLU  113  far    0    63   0   -  8.7-9.7
      QD1   LEU   84 + H     GLU  113  far    0    63   0   -  9.4-10.3
    Violated in 20 structures by 1.83 A.
 
    Peak 1274 from n15no.peaks (0.49, 8.93, 117.42 ppm; 5.24 A increased from 4.66 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   62 + H     GLU  113  OK   100   100 100 100  3.0-5.0   3837/2.9=89, 2307=87, 2.1/1275=85, 2275/3.9=77...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1275 from n15no.peaks (0.29, 8.93, 117.42 ppm; 4.84 A):
    1 out of 1 assignment used, quality = 0.98:
      QD2   LEU   62 + H     GLU  113  OK    98    98 100 100  3.1-4.3   2316=94, 3836/2.9=77, 2289/3.6=74, 2266/3.9=72...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 1276 from n15no.peaks (2.41, 7.83, 120.84 ppm; 3.63 A increased from 3.42 A):
    1 out of 4 assignments used, quality = 0.78:
      HG2   GLU  114 + H     GLU  114  OK    78    78 100 100  3.4-3.5   2.5/1277=77, 3869=74, 1.8/3864=68, 504/3.0=42...(13)
      HG2   GLU   85 - H     GLU  114  far    0    78   0   -  7.6-10.1
      QG    GLN  107 - H     GLU  114  far    0    68   0   -  7.9-10.2
      HB2   PRO   58 - H     GLU  114  far    0    85   0   -  8.0-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1277 from n15no.peaks (2.10, 7.83, 120.84 ppm; 2.91 A):
    1 out of 7 assignments used, quality = 0.89:
      QB    GLU  114 + H     GLU  114  OK    89    90 100  98  2.3-2.6   3.4=62, 1282/534=42, 2.5/1276=40, 2.5/3864=37...(16)
      HB2   PRO  112 - H     GLU  114  far    0   100   0   -  5.1-5.4
      HG2   PRO  109 - H     GLU  114  far    0    99   0   -  5.7-5.9
      QB    GLU   85 - H     GLU  114  far    0    71   0   -  6.2-6.8
      HB2   LEU  118 - H     GLU  114  far    0    76   0   -  8.5-8.8
      QB    GLN   59 - H     GLU  114  far    0    96   0   -  8.6-10.0
      HB3   PRO   58 - H     GLU  114  far    0    76   0   -  9.2-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1278 from n15no.peaks (0.90, 7.83, 120.84 ppm; 5.18 A increased from 4.61 A):
    1 out of 6 assignments used, quality = 0.88:
      QD2   LEU  118 + H     GLU  114  OK    88    89 100 100  4.9-5.1   3882/3.0=84, 3880/3.4=77, 1286/534=76, 3937/6.5=38
      QG1   VAL   88 - H     GLU  114  far    0    98   0   -  6.3-6.7
      QQG   VAL  104 - H     GLU  114  far    0    68   0   -  6.6-7.0
      QD2   LEU   86 - H     GLU  114  far    0    99   0   -  9.2-10.2
      QD1   LEU  122 - H     GLU  114  far    0    60   0   -  9.7-10.1
      QG2   ILE  100 - H     GLU  114  far    0   100   0   -  9.8-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1279 from n15no.peaks (0.76, 7.83, 120.84 ppm; 5.19 A increased from 4.61 A):
    1 out of 2 assignments used, quality = 0.76:
      QD2   LEU   89 + H     GLU  114  OK    76    76 100 100  4.6-5.2   1287/534=85, 1680/1689=74, 3744/3803=61, 3199/563=46...(6)
      QD1   LEU   65 - H     GLU  114  far    0    99   0   -  8.5-9.4
    Violated in 4 structures by 0.01 A.
 
    Peak 1280 from n15no.peaks (1.91, 7.83, 120.84 ppm; 3.80 A increased from 3.38 A):
    1 out of 7 assignments used, quality = 0.99:
      HB3   GLU  113 + H     GLU  114  OK    99   100 100  99  3.1-3.6   1.8/3828=72, 4.6=55, 1269/535=53, 3.0/3817=33...(13)
      HB3   PRO  109 - H     GLU  114  far    0    65   0   -  4.0-4.2
      HB3   PRO  112 - H     GLU  114  far    0   100   0   -  5.7-6.0
      HG    LEU  118 - H     GLU  114  far    0    81   0   -  6.6-6.8
      HB2   LEU   93 - H     GLU  114  far    0    89   0   -  7.9-10.2
      HB3   GLU   81 - H     GLU  114  far    0    68   0   -  9.1-11.5
      QB    ALA   61 - H     GLU  114  far    0    83   0   -  9.3-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1281 from n15no.peaks (2.40, 7.95, 121.30 ppm; 4.87 A increased from 4.10 A):
    1 out of 3 assignments used, quality = 0.92:
      HG2   GLU  114 + H     ALA  115  OK    92    92 100 100  4.5-4.7   2.5/1282=97, 3870=92, 1.8/3865=86, 1276/534=85...(13)
      HB2   PRO   58 - H     ALA  115  far    0    96   0   -  7.1-7.4
      HG2   GLU   85 - H     ALA  115  far    0    92   0   -  9.4-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1282 from n15no.peaks (2.10, 7.95, 121.30 ppm; 3.14 A):
    1 out of 6 assignments used, quality = 0.97:
      QB    GLU  114 + H     ALA  115  OK    97    98 100  99  2.3-2.4   3859=65, 1277/534=53, 3857/566=31, 2.5/3865=31...(16)
      HG2   PRO  109 - H     ALA  115  far    2   100   3   -  3.2-3.9
      HB2   PRO  112 - H     ALA  115  far    0    99   0   -  5.6-5.9
      HB2   LEU  118 - H     ALA  115  far    0    90   0   -  6.7-6.9
      QB    GLU   85 - H     ALA  115  far    0    87   0   -  7.6-7.9
      QB    GLN   59 - H     ALA  115  far    0   100   0   -  9.2-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1283 from n15no.peaks (1.90, 7.95, 121.30 ppm; 3.48 A):
    1 out of 5 assignments used, quality = 0.94:
      HB3   PRO  109 + H     ALA  115  OK    94    95 100 100  2.6-2.8   1.8/3704=63, 1683/2.9=53, 3701=43, 3685/1286=35...(16)
      HB3   GLU  113 - H     ALA  115  far    0    85   0   -  5.5-5.9
      HB3   PRO  112 - H     ALA  115  far    0    98   0   -  5.8-6.1
      HG    LEU   96 - H     ALA  115  far    0    71   0   -  8.6-9.9
      QB    ALA   61 - H     ALA  115  far    0    99   0   -  8.7-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1284 from n15no.peaks (1.42, 7.95, 121.30 ppm; 2.83 A):
    1 out of 2 assignments used, quality = 0.90:
      QB    ALA  115 + H     ALA  115  OK    90    90 100  99  2.0-2.2   2.9=90, 1691/565=31, 1683/1283=26, 1680/1287=23...(16)
      HG    LEU   62 - H     ALA  115  far    0    63   0   -  6.3-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1285 from n15no.peaks (1.26, 7.95, 121.30 ppm; 4.48 A increased from 3.77 A):
    1 out of 1 assignment used, quality = 0.89:
      QB    ALA  116 + H     ALA  115  OK    89    89 100 100  4.3-4.4   2.9/565=86, 4.6/1284=62, 3842/567=49, 5.7=48...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 1286 from n15no.peaks (0.91, 7.95, 121.30 ppm; 4.08 A):
    1 out of 5 assignments used, quality = 1.00:
      QD2   LEU  118 + H     ALA  115  OK   100   100 100 100  3.3-3.5   3917=98, 3937/2.9=65, 3689/3704=64, 3685/1283=57...(16)
      QD1   LEU  118 - H     ALA  115  far    0    81   0   -  4.3-4.5
      QD1   LEU   93 - H     ALA  115  far    0    73   0   -  4.5-5.4
      QG1   VAL   88 - H     ALA  115  far    0   100   0   -  6.6-7.0
      QG2   ILE  100 - H     ALA  115  far    0    97   0   -  7.7-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1287 from n15no.peaks (0.76, 7.95, 121.30 ppm; 4.16 A increased from 3.70 A):
    1 out of 2 assignments used, quality = 0.73:
      QD2   LEU   89 + H     ALA  115  OK    73    76 100  96  3.7-4.2   1680/2.9=78, 3744/3804=52, 1279/534=44, 3199/566=33
      QD1   LEU   65 - H     ALA  115  far    0    99   0   -  8.2-9.0
    Violated in 2 structures by 0.00 A.
 
    Peak 1288 from n15no.peaks (0.49, 7.95, 121.30 ppm; 5.50 A increased from 4.79 A):
    1 out of 1 assignment used, quality = 0.82:
      QD1   LEU   62 + H     ALA  115  OK    82   100  83 100  4.8-5.6   978/565=82, 1619/1285=75, 3837/567=66, 3745/3804=64...(11)
    Violated in 10 structures by 0.04 A.
 
    Peak 1289 from n15no.peaks (2.78, 7.76, 120.22 ppm; 5.50 A increased from 4.69 A):
    1 out of 2 assignments used, quality = 0.73:
      HB2   ASP  120 + H     ALA  117  OK    73    73 100 100  5.0-5.5   ~1485=73, ~3899=72, 1492/2.9=70, ~1487=58...(6)
      QB    TYR   52 - H     ALA  117  far    0   100   0   -  9.5-10.3
    Violated in 2 structures by 0.00 A.
 
    Peak 1290 from n15no.peaks (2.40, 7.76, 120.22 ppm; 5.20 A increased from 4.89 A):
    1 out of 2 assignments used, quality = 0.98:
      HB2   PRO   58 + H     ALA  117  OK    98   100 100  98  4.9-5.2   2132/1294=83, 2136/3.6=75, 2172/631=31, 2133/1298=31
      HG2   GLU  114 - H     ALA  117  far    0    99   0   -  6.8-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1291 from n15no.peaks (2.24, 7.76, 120.22 ppm; 4.41 A):
    0 out of 4 assignments used, quality = 0.00:
      HB    VAL  119 + H     ALA  117  far    0    60   0   -  4.7-6.9
      HG2   PRO   58 + H     ALA  117  far    0    83   0   -  5.4-5.7
      HG3   GLU  114 + H     ALA  117  far    0    60   0   -  5.8-6.1
      HG3   GLU  113 + H     ALA  117  far    0    89   0   -  6.2-7.5
    Violated in 8 structures by 0.19 A.
 
    Peak 1292 from n15no.peaks (2.12, 7.76, 120.22 ppm; 4.83 A increased from 4.06 A):
    1 out of 5 assignments used, quality = 0.96:
      QB    GLU  114 + H     ALA  117  OK    96    96 100 100  4.5-4.6   2.5/577=90, 3860/533=57, 3880/1297=55, ~2062=51...(9)
      HB2   LEU  118 - H     ALA  117  far    0   100   0   -  5.5-5.6
      HG2   PRO  109 - H     ALA  117  far    0    83   0   -  5.9-7.6
      QB    GLN   59 - H     ALA  117  far    0    90   0   -  7.1-7.8
      HB2   PRO  112 - H     ALA  117  far    0    63   0   -  7.6-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1293 from n15no.peaks (1.93, 7.76, 120.22 ppm; 4.28 A):
    1 out of 5 assignments used, quality = 0.98:
      HG    LEU  118 + H     ALA  117  OK    98    99 100  99  3.4-3.6   3912/574=77, 2.1/1297=70, 974/533=37, 528/6.3=29...(10)
      HB3   GLU  113 - H     ALA  117  far    0    98   0   -  5.5-5.8
      HG    LEU  122 - H     ALA  117  far    0    99   0   -  8.2-8.5
      HB3   PRO  112 - H     ALA  117  far    0    85   0   -  8.6-8.9
      HB2   LEU   93 - H     ALA  117  far    0   100   0   -  9.1-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1294 from n15no.peaks (1.25, 7.76, 120.22 ppm; 3.11 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    ALA  116 + H     ALA  117  OK    99   100 100  99  2.8-2.9   1659=90, 1662/533=50, 1624/2.9=36, 4.7/1695=28...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 1295 from n15no.peaks (1.40, 7.76, 120.22 ppm; 4.65 A increased from 3.72 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    ALA  115 + H     ALA  117  OK   100   100 100 100  4.4-4.5   982/533=85, 4.6/1294=63, 5.0/577=52, 6.1=45...(9)
      HG    LEU   62 - H     ALA  117  far    0    99   0   -  6.2-7.2
      HB3   LEU   45 - H     ALA  417  far    0    97   0   -  9.8-55.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1296 from n15no.peaks (1.52, 7.76, 120.22 ppm; 2.67 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    ALA  117 + H     ALA  117  OK   100   100 100 100  2.1-2.3   1695=100, 1694/574=42, 2062/577=23, 1693/533=21...(10)
      QB    ALA   63 - H     ALA  117  far    0    71   0   -  9.5-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1297 from n15no.peaks (0.90, 7.76, 120.22 ppm; 4.40 A):
    1 out of 5 assignments used, quality = 0.96:
      QD2   LEU  118 + H     ALA  117  OK    96    97 100 100  3.4-3.7   1305/574=83, 2.1/1293=76, 5.6/1695=45, 3880/1292=42...(11)
      QD1   LEU  118 - H     ALA  117  far    0    63   0   -  4.8-5.0
      QG2   ILE  100 - H     ALA  117  far    0   100   0   -  7.4-7.6
      QD1   ILE  100 - H     ALA  117  far    0    73   0   -  8.0-8.7
      QG1   VAL   88 - H     ALA  117  far    0   100   0   -  8.3-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1298 from n15no.peaks (1.12, 7.76, 120.22 ppm; 5.12 A increased from 4.55 A):
    1 out of 1 assignment used, quality = 0.64:
      QG1   VAL  119 + H     ALA  117  OK    64    65 100  98  4.8-5.0   3959/3.6=55, 6.6/574=44, 6.3/1297=41, 6.9/1296=40...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1299 from n15no.peaks (0.49, 7.76, 120.22 ppm; 5.50 A increased from 5.09 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   62 + H     ALA  117  OK   100   100 100 100  4.7-5.5   1619/1294=98, 978/533=83, 3885/3.6=75, 3837/575=47
    Violated in 2 structures by 0.00 A.
 
    Peak 1300 from n15no.peaks (1.96, 7.80, 119.44 ppm; 2.92 A):
    2 out of 12 assignments used, quality = 0.96:
      QB    ARG  123 + H     ARG  123  OK    93    96 100  97  2.0-2.7   3.4=65, 2.5/1301=37, 2.2/612=25, 2.5/3563=24...(14)
      HG    LEU  122 + H     ARG  123  OK    35    65  60  89  2.9-3.3   2.1/1302=38, 3.0/1884=24, 4.3/3985=24, 3.0/1881=23...(11)
      HG    LEU  118 - H     LEU  118  poor  19    24 100  79  1.8-1.9   528/2.9=23, 5.0=20, 2.1/3916=19, ~530=18...(10)
      HB3   GLU  125 - H     ARG  123  far    0    68   0   -  4.6-7.6
      HB3   PRO  126 - H     ARG  123  far    0    83   0   -  4.8-12.3
      HB2   PRO  109 - H     LEU  118  far    0    22   0   -  4.9-5.1
      HB    VAL  104 - H     LEU  118  far    0    46   0   -  6.2-6.6
      HG    LEU  122 - H     LEU  118  far    0    24   0   -  6.4-6.7
      HG    LEU  118 - H     ARG  123  far    0    65   0   -  7.9-8.3
      QB    ARG  123 - H     LEU  118  far    0    41   0   -  7.9-9.2
      HB    VAL  104 - H     ARG  123  far    0   100   0   -  8.9-9.6
      HB3   GLU  125 - H     LEU  118  far    0    26   0   -  9.8-15.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1301 from n15no.peaks (1.82, 7.80, 119.44 ppm; 3.79 A increased from 3.19 A):
    1 out of 11 assignments used, quality = 1.00:
      HG2   ARG  123 + H     ARG  123  OK   100   100 100 100  2.3-3.6   3565=84, 4034/2.9=60, 2.5/1300=51, 1.8/3563=51...(14)
      HB3   ARG  124 - H     ARG  123  far    0    71   0   -  3.9-6.5
      HB2   LEU  122 - H     ARG  123  far    0    73   0   -  4.1-4.3
      HB3   GLU   41 - H     ARG  423  far    0    63   0   -  5.5-49.0
      HB2   LEU  122 - H     LEU  118  far    0    28   0   -  6.2-6.9
      HG2   ARG  103 - H     ARG  123  far    0    98   0   -  6.5-8.0
      HG2   ARG  123 - H     LEU  118  far    0    46   0   -  8.0-9.9
      HG2   ARG  103 - H     LEU  118  far    0    43   0   -  8.2-10.5
      HB    ILE  100 - H     ARG  123  far    0    98   0   -  8.5-9.4
      HB3   GLU   41 - H     LEU  418  far    0    23   0   -  9.3-52.7
      HB3   ARG  124 - H     LEU  118  far    0    27   0   -  9.8-14.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1302 from n15no.peaks (0.88, 7.80, 119.44 ppm; 3.87 A increased from 3.65 A):
    1 out of 10 assignments used, quality = 0.98:
      QD2   LEU  122 + H     ARG  123  OK    98    98 100 100  3.3-3.7   934/2.9=71, 564/3.6=54, 3991/593=49, 5.0=47...(14)
      QD1   ILE  100 - H     ARG  123  far    0   100   0   -  4.1-5.0
      QD1   LEU  122 - H     ARG  123  far    0    99   0   -  4.4-4.7
      QD1   LEU  122 - H     LEU  118  far    0    44   0   -  4.8-5.1
      QQG   VAL  104 - H     LEU  118  far    0    46   0   -  5.2-5.4
      QG2   ILE  100 - H     ARG  123  far    0    76   0   -  5.6-6.4
      QG2   ILE  100 - H     LEU  118  far    0    29   0   -  6.5-6.8
      QD1   ILE  100 - H     LEU  118  far    0    46   0   -  7.0-8.0
      QD2   LEU  122 - H     LEU  118  far    0    43   0   -  7.2-7.4
      QQG   VAL  104 - H     ARG  123  far    0   100   0   -  8.0-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1303 from n15no.peaks (2.12, 7.83, 119.62 ppm; 3.41 A):
    1 out of 7 assignments used, quality = 0.99:
      HB2   LEU  118 + H     LEU  118  OK    99   100 100  99  2.9-3.0   3.9=66, 3.1/1305=52, 3.0/3912=49, 3.1/3921=47...(11)
      QB    GLU  114 - H     LEU  118  far    0   100   0   -  4.7-5.0
      HG2   PRO  109 - H     LEU  118  far    0    95   0   -  5.4-7.3
      HB2   LEU  118 - H     ARG  123  far    0    46   0   -  7.7-8.1
      QB    GLN   59 - H     LEU  118  far    0    98   0   -  9.1-9.7
      HG3   PRO   97 - H     ARG  123  far    0    34   0   -  9.3-10.4
      HB2   PRO  112 - H     LEU  118  far    0    81   0   -  9.8-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1304 from n15no.peaks (1.52, 7.83, 119.62 ppm; 3.17 A):
    1 out of 4 assignments used, quality = 0.99:
      QB    ALA  117 + H     LEU  118  OK    99   100 100 100  2.2-2.5   1694=97, 1695/574=65, 5.5/1303=19, 5.6/1305=18...(9)
      QB    ALA  117 - H     ARG  123  far    0    46   0   -  7.6-8.0
      HB2   ARG   44 - H     ARG  423  far    0    38   0   -  8.8-51.5
      HB2   ARG   44 - H     LEU  418  far    0    92   0   -  9.3-55.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1305 from n15no.peaks (0.91, 7.83, 119.62 ppm; 3.36 A):
    1 out of 7 assignments used, quality = 1.00:
      QD2   LEU  118 + H     LEU  118  OK   100   100 100 100  1.9-2.2   3916=85, 2.1/3921=57, 2.1/3912=57, 3.1/1303=50...(11)
      QD1   LEU  118 - H     LEU  118  far    0    81   0   -  3.5-3.6
      QG2   ILE  100 - H     ARG  123  far    0    42   0   -  5.6-6.4
      QG2   ILE  100 - H     LEU  118  far    0    97   0   -  6.5-6.8
      QD1   LEU  118 - H     ARG  123  far    0    32   0   -  7.2-7.6
      QD1   LEU   93 - H     LEU  118  far    0    73   0   -  7.5-8.2
      QD2   LEU  118 - H     ARG  123  far    0    46   0   -  8.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1306 from n15no.peaks (3.08, 7.90, 119.43 ppm; 5.45 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   PHE   92 + H     VAL  119  far    0    81   0   -  8.8-9.5
      HB3   PHE   92 + H     VAL  119  far    0    57   0   -  9.5-10.2
    Violated in 20 structures by 3.04 A.
 
    Peak 1307 from n15no.peaks (2.77, 7.90, 119.43 ppm; 4.27 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    TYR   52 + H     VAL  119  far    0    97   0   -  8.2-8.9
    Violated in 20 structures by 4.40 A.
 
    Peak 1308 from n15no.peaks (2.45, 7.90, 119.43 ppm; 4.29 A):
    0 out of 2 assignments used, quality = 0.00:
      QG    GLN  107 + H     VAL  119  far    0    92   0   -  6.1-7.2
      HG3   GLN   59 + H     VAL  119  far    0   100   0   -  7.9-9.0
    Violated in 20 structures by 2.23 A.
 
    Peak 1309 from n15no.peaks (2.25, 7.90, 119.43 ppm; 3.79 A increased from 3.19 A):
    1 out of 6 assignments used, quality = 0.90:
      HB    VAL  119 + H     VAL  119  OK    90    90 100 100  2.3-3.6   3967=90, 2.1/1312=86, 2.1/3979=66, 4.5/599=44...(13)
      HG2   PRO   58 - H     VAL  119  far    0    99   0   -  4.7-5.8
      QG    GLU   54 - H     VAL  119  far    0    97   0   -  7.7-8.2
      HG3   GLU  114 - H     VAL  119  far    0    90   0   -  9.1-9.3
      HG2   PRO   97 - H     VAL  119  far    0    57   0   -  9.3-10.4
      HG3   GLU  113 - H     VAL  119  far    0    57   0   -  9.7-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1310 from n15no.peaks (2.15, 7.90, 119.43 ppm; 4.24 A increased from 3.39 A):
    1 out of 1 assignment used, quality = 0.71:
      HB2   LEU  118 + H     VAL  119  OK    71    71 100 100  4.0-4.2   1.8/1311=92, 4.6=79, 3.1/1313=73, 3.9/531=69...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1311 from n15no.peaks (1.49, 7.90, 119.43 ppm; 3.50 A):
    1 out of 1 assignment used, quality = 0.72:
      HB3   LEU  118 + H     VAL  119  OK    72    73 100  98  3.0-3.5   3.1/1313=53, 1.8/1310=52, 3.9/531=48, 4.6=45...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1312 from n15no.peaks (1.09, 7.90, 119.43 ppm; 3.03 A):
    1 out of 1 assignment used, quality = 0.99:
      QG1   VAL  119 + H     VAL  119  OK    99    99 100 100  2.0-2.6   3969=98, 2.1/3967=47, 3958/3.0=46, 2.1/3979=42...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1313 from n15no.peaks (0.92, 7.90, 119.43 ppm; 3.48 A increased from 3.28 A):
    1 out of 6 assignments used, quality = 0.97:
      QD1   LEU  118 + H     VAL  119  OK    97    99 100  97  2.8-3.3   3.1/1311=52, 3921/531=51, 3.1/1310=41, 4.9=36...(12)
      QD2   LEU  118 - H     VAL  119  far    0    97   0   -  3.8-3.9
      QG2   ILE  100 - H     VAL  119  far    0    71   0   -  4.5-4.7
      QD1   LEU   93 - H     VAL  119  far    0    97   0   -  7.3-7.9
      HB3   LEU   96 - H     VAL  119  far    0   100   0   -  8.2-8.9
      QG1   VAL   88 - H     VAL  119  far    0    87   0   - 10.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1314 from n15no.peaks (0.55, 7.90, 119.43 ppm; 5.35 A increased from 4.75 A):
    1 out of 1 assignment used, quality = 0.93:
      QD1   LEU   96 + H     VAL  119  OK    93    93 100 100  4.7-5.2   3319/1312=90, 1754/3979=82, 3947/3.0=75, 2.1/1315=75...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1315 from n15no.peaks (-0.08, 7.90, 119.43 ppm; 5.50 A increased from 5.05 A):
    1 out of 1 assignment used, quality = 0.49:
      QD2   LEU   96 + H     VAL  119  OK    49    99  50 100  5.4-5.9   3351=98, 3949/1312=95, 1753/3979=86, 2.1/1314=82...(8)
    Violated in 19 structures by 0.13 A.
 
    Peak 1316 from n15no.peaks (2.76, 7.97, 105.36 ppm; 3.61 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1317 from n15no.peaks (2.27, 7.97, 105.36 ppm; 5.28 A increased from 4.45 A):
    2 out of 3 assignments used, quality = 0.94:
      HG2   PRO   58 + H     GLY  121  OK    89    99  93  97  4.9-5.9   1489/1495=73, 1486/1493=67, 805/597=54, 1755/6.6=22
      HB    VAL  119 + H     GLY  121  OK    50   100  50 100  4.7-5.8   3968/597=80, 3.0/621=80, 2.1/1321=73, 6.2/619=48...(11)
      QG    GLU   54 - H     GLY  121  far    0   100   0   -  7.9-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1318 from n15no.peaks (1.93, 7.97, 105.36 ppm; 4.56 A increased from 4.29 A):
    1 out of 4 assignments used, quality = 1.00:
      HG    LEU  122 + H     GLY  121  OK   100   100 100 100  4.0-4.5   1324/592=86, 2.1/1322=71, 4003/2.5=62, 3.0/1319=54...(12)
      HG    LEU  118 - H     GLY  121  far    0   100   0   -  5.5-5.6
      HB3   GLU  125 - H     GLY  121  far    0   100   0   -  6.0-11.4
      HB3   ARG  103 - H     GLY  121  far    0    87   0   -  7.9-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1319 from n15no.peaks (1.86, 7.97, 105.36 ppm; 5.14 A increased from 4.33 A):
    1 out of 2 assignments used, quality = 0.89:
      HB2   LEU  122 + H     GLY  121  OK    89    89 100 100  4.6-4.9   1326/592=96, 1885=85, 3.0/1318=78, 3.1/1322=74...(10)
      HG    LEU   96 - H     GLY  121  far    0    98   0   -  9.8-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1320 from n15no.peaks (1.52, 7.97, 105.36 ppm; 4.75 A):
    1 out of 2 assignments used, quality = 0.98:
      QB    ALA  117 + H     GLY  121  OK    98   100 100  98  4.5-4.8   4.6/619=58, 1487/1493=51, 1490/1495=50, 5.5/3909=31...(9)
      HB2   ARG   44 - H     GLY  421  far    0    92   0   -  7.9-54.3
    Violated in 2 structures by 0.01 A.
 
    Peak 1321 from n15no.peaks (1.11, 7.97, 105.36 ppm; 5.50 A increased from 5.07 A):
    1 out of 1 assignment used, quality = 0.83:
      QG1   VAL  119 + H     GLY  121  OK    83    83 100 100  5.3-5.5   4.3/597=85, 3.2/621=82, 6.6=57, 6.1/619=54...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 1322 from n15no.peaks (0.89, 7.97, 105.36 ppm; 4.70 A increased from 4.18 A):
    1 out of 6 assignments used, quality = 0.78:
      QD1   LEU  122 + H     GLY  121  OK    78    78 100 100  4.4-4.7   2.1/1318=78, 1329/592=72, 3.1/1319=56, 4006/621=49...(13)
      QD2   LEU  122 - H     GLY  121  far    0    76   0   -  5.3-5.8
      QD1   ILE  100 - H     GLY  121  far    0    97   0   -  5.7-6.4
      QD2   LEU  118 - H     GLY  121  far    0    73   0   -  5.8-5.9
      QG2   ILE  100 - H     GLY  121  far    0    98   0   -  6.3-6.9
      QQG   VAL  104 - H     GLY  121  far    0    85   0   -  7.5-7.8
    Violated in 3 structures by 0.00 A.
 
    Peak 1323 from n15no.peaks (2.73, 7.64, 120.60 ppm; 5.45 A increased from 4.85 A):
    1 out of 2 assignments used, quality = 0.94:
      HB3   ASP  120 + H     LEU  122  OK    94    95 100 100  5.1-5.4   1493/592=86, 3.0/614=77, 1494/594=76, 6.0/616=53...(9)
      QB    PRO   40 - H     LEU  422  far    0   100   0   -  9.4-32.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1324 from n15no.peaks (1.93, 7.64, 120.60 ppm; 2.88 A):
    1 out of 4 assignments used, quality = 0.98:
      HG    LEU  122 + H     LEU  122  OK    98    99 100  99  2.2-2.6   2.1/1329=50, 3.0/1326=45, 3988=42, 563/3.0=32...(15)
      HB3   GLU  125 - H     LEU  122  far    0    99   0   -  4.8-10.0
      HG    LEU  118 - H     LEU  122  far    0    99   0   -  5.9-6.2
      HB3   ARG  103 - H     LEU  122  far    0    97   0   -  5.9-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1326 from n15no.peaks (1.86, 7.64, 120.60 ppm; 2.90 A):
    1 out of 2 assignments used, quality = 0.87:
      HB2   LEU  122 + H     LEU  122  OK    87    89 100  98  2.3-2.6   3.0/1324=46, 3986=44, 4014/1329=44, 1.8/1327=42...(15)
      HG    LEU   96 - H     LEU  122  far    0    98   0   -  9.2-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1327 from n15no.peaks (1.58, 7.64, 120.60 ppm; 3.81 A increased from 3.20 A):
    1 out of 2 assignments used, quality = 0.98:
      HB3   LEU  122 + H     LEU  122  OK    98    98 100 100  3.6-3.6   1.8/1326=94, 3987=84, 3.0/1324=74, 4013/1329=64...(16)
      HG12  ILE  100 - H     LEU  122  far    0   100   0   -  8.0-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1328 from n15no.peaks (1.09, 7.64, 120.60 ppm; 5.31 A increased from 4.72 A):
    1 out of 1 assignment used, quality = 1.00:
      QG1   VAL  119 + H     LEU  122  OK   100   100 100 100  5.2-5.3   3958/616=88, 2.1/3978=77, 807/594=67, 6.6/592=47...(9)
    Violated in 2 structures by 0.00 A.
 
    Peak 1329 from n15no.peaks (0.88, 7.64, 120.60 ppm; 3.30 A increased from 3.10 A):
    1 out of 5 assignments used, quality = 0.99:
      QD1   LEU  122 + H     LEU  122  OK    99    99 100 100  3.1-3.3   3995=89, 2.1/1324=75, 4014/1326=64, 2.1/3991=45...(19)
      QD2   LEU  122 - H     LEU  122  far    0    98   0   -  3.6-3.9
      QD1   ILE  100 - H     LEU  122  far    0   100   0   -  4.7-5.3
      QG2   ILE  100 - H     LEU  122  far    0    76   0   -  5.4-5.9
      QQG   VAL  104 - H     LEU  122  far    0   100   0   -  7.0-7.3
    Violated in 4 structures by 0.00 A.
 
    Peak 1330 from n15no.peaks (4.75, 8.00, 120.99 ppm; 3.89 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1331 from n15no.peaks (4.74, 8.25, 123.25 ppm; 3.44 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1332 from n15no.peaks (2.32, 8.25, 123.25 ppm; 4.46 A increased from 4.20 A):
    1 out of 4 assignments used, quality = 0.96:
      QG    GLU  125 + H     GLU  125  OK    96    96 100 100  1.9-4.4   4.4=100
      HB2   PRO  126 - H     GLU  125  far    0   100   0   -  5.7-7.6
      HG2   GLU   41 - H     GLU  425  far    0   100   0   -  5.9-47.4
      QG    GLU   99 - H     GLU  125  far    0    78   0   -  7.2-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1333 from n15no.peaks (2.06, 8.25, 123.25 ppm; 3.96 A):
    1 out of 4 assignments used, quality = 0.92:
      HB2   GLU  125 + H     GLU  125  OK    92   100  93 100  2.5-4.1   3.8=100
      HB2   GLU   41 - H     GLU  425  far    0    96   0   -  4.1-48.5
      QG    PRO  126 - H     GLU  125  far    0   100   0   -  4.4-6.1
      QB    GLU   99 - H     GLU  125  far    0    87   0   -  7.3-12.7
    Violated in 1 structures by 0.01 A.
 
    Peak 1334 from n15no.peaks (1.93, 8.25, 123.25 ppm; 3.39 A):
    1 out of 3 assignments used, quality = 0.76:
      HB3   GLU  125 + H     GLU  125  OK    76    99 100  77  2.4-3.4   3.8=69, 5.8/605=19, 7.5/589=9
      HG    LEU  122 - H     GLU  125  far    0    99   0   -  5.2-8.8
      HB3   ARG  103 - H     GLU  125  far    0    97   0   -  7.9-12.7
    Violated in 1 structures by 0.00 A.
 
    Peak 1335 from n15no.peaks (1.68, 8.25, 123.25 ppm; 4.56 A):
    1 out of 1 assignment used, quality = 1.00:
      QG    ARG  124 + H     GLU  125  OK   100   100 100 100  2.9-4.5   4.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1336 from n15no.peaks (1.82, 8.25, 123.25 ppm; 4.71 A increased from 4.19 A):
    1 out of 6 assignments used, quality = 0.71:
      HB3   ARG  124 + H     GLU  125  OK    71    71 100 100  3.3-4.5   4.4=100
      HG2   ARG  123 - H     GLU  125  far    2   100   3   -  4.7-8.1
      HB2   LEU  122 - H     GLU  125  far    0    73   0   -  4.9-9.9
      HB3   GLU   41 - H     GLU  425  far    0    63   0   -  5.3-49.1
      HG2   ARG  103 - H     GLU  125  far    0    98   0   -  6.2-11.9
      HB    ILE  100 - H     GLU  125  far    0    98   0   - 10.0-14.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1337 from n15no.peaks (1.93, 8.00, 120.99 ppm; 3.78 A):
    0 out of 4 assignments used, quality = 0.00:
      HB3   GLU  125 + H     ARG  124  far   10    99  10   -  3.6-4.8
      HG    LEU  122 + H     ARG  124  far    0    99   0   -  4.9-6.6
      HB3   ARG  103 + H     ARG  124  far    0    97   0   -  7.5-10.5
      HG    LEU  118 + H     ARG  124  far    0    99   0   -  9.6-12.3
    Violated in 19 structures by 0.44 A.
 
    Peak 1338 from n15no.peaks (1.81, 8.00, 120.99 ppm; 3.77 A increased from 3.55 A):
    1 out of 5 assignments used, quality = 0.94:
      HB3   ARG  124 + H     ARG  124  OK    94    96 100  98  2.6-3.7   4.0=83, 2.5/1339=55, 4.4/589=38, 4052/5.3=33...(8)
      HG2   ARG  123 - H     ARG  124  poor  19    97  23  87  2.5-5.3   4034/3.6=49, 4044/591=40, 5.2=37, 7.4/1339=13...(6)
      HG2   ARG  103 - H     ARG  124  far    0    78   0   -  5.7-9.9
      HB3   GLU   41 - H     ARG  424  far    0    92   0   -  5.9-49.5
      HB    ILE  100 - H     ARG  124  far    0   100   0   -  8.3-11.1
    Violated in 1 structures by 0.00 A.
 
    Peak 1339 from n15no.peaks (1.70, 8.00, 120.99 ppm; 4.20 A increased from 3.95 A):
    1 out of 1 assignment used, quality = 0.80:
      QG    ARG  124 + H     ARG  124  OK    80    81 100  99  2.1-4.2   4.4=86, 2.5/1338=63, 4.5/589=47, ~1247=37...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1340 from n15no.peaks (0.88, 8.00, 120.99 ppm; 5.10 A):
    1 out of 5 assignments used, quality = 0.93:
      QD2   LEU  122 + H     ARG  124  OK    93    98  95 100  3.1-5.2   934/3.6=88, 1302/609=73, 4039/4.0=41, 564/6.6=40...(8)
      QD1   ILE  100 - H     ARG  124  far    7   100   8   -  4.0-6.2
      QD1   LEU  122 - H     ARG  124  far    0    99   0   -  5.7-7.4
      QG2   ILE  100 - H     ARG  124  far    0    76   0   -  6.1-8.2
      QQG   VAL  104 - H     ARG  124  far    0   100   0   -  9.0-10.7
    Violated in 2 structures by 0.02 A.
 
    Peak 1341 from n15no.peaks (-0.65, 7.34, 117.18 ppm; 5.50 A increased from 4.94 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   73 + H     TRP   72  far    5    95   5   -  4.5-6.0
    Violated in 18 structures by 0.35 A.
 
    Peak 1342 from n15no.peaks (0.81, 7.26, 110.68 ppm; 5.06 A increased from 4.77 A):
    1 out of 2 assignments used, quality = 0.89:
      QD2   LEU   93 + HE21  GLN  105  OK    89    90 100  99  3.9-5.1   2.1/1224=80, 1231/1.7=74, ~1230=64, 3295/6.6=29
      QD1   LEU   89 - HE21  GLN  105  far    0   100   0   -  7.9-9.7
    Violated in 2 structures by 0.00 A.
 
    Peak 1343 from n15no.peaks (1.78, 8.43, 123.79 ppm; 4.30 A):
    1 out of 7 assignments used, quality = 0.70:
      HB3   GLU   53 + H     GLU   54  OK    70    70 100  99  3.6-4.0   4.7=79, 3.0/721=76, 2095/4.5=48, ~2182=29...(8)
      HB2   LEU   45 - H     ARG   44  far    0    83   0   -  4.4-4.9
      HB3   GLU   41 - H     ARG   44  far    0    83   0   -  4.9-5.8
      QB    ARG   48 - H     ARG   44  far    0    99   0   -  5.9-7.3
      HG3   ARG  123 - H     GLU   54  far    0    55   0   -  5.9-8.5
      HB3   ARG  124 - H     GLU   54  far    0    55   0   -  9.4-13.7
      QE    MET   83 - H     ARG   44  far    0   100   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1344 from n15no.peaks (2.27, 8.43, 123.79 ppm; 3.94 A):
    1 out of 7 assignments used, quality = 0.82:
      QG    GLU   54 + H     GLU   54  OK    82    82 100 100  1.9-2.5   2192=100, 101/3.0=73, 2191/6.4=21, 6.6/721=21...(7)
      HG2   PRO   97 - H     GLU   54  far    0    63   0   -  5.9-8.1
      HG2   PRO   40 - H     ARG   44  far    0   100   0   -  6.0-6.5
      HB    VAL  119 - H     GLU   54  far    0    81   0   -  6.8-9.2
      HB2   PRO   38 - H     ARG   44  far    0   100   0   -  7.6-9.6
      HG2   PRO   58 - H     GLU   54  far    0    81   0   -  8.0-9.1
      HG3   GLU   67 - H     ARG   44  far    0    97   0   -  9.8-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1345 from n15no.peaks (7.39, 9.93, 118.12 ppm; 4.68 A):
    2 out of 3 assignments used, quality = 0.84:
      QE    PHE   47 + HE    ARG   48  OK    70    71 100  99  2.0-3.1   1982/2.5=68, 2.2/1346=65, ~1981=48, ~1987=38...(7)
      HH2   TRP   72 + HE    ARG   48  OK    47   100  60  79  3.6-5.2   134=75, 1988/2.9=18
      HZ2   TRP   72 - HE    ARG   48  far    0    60   0   -  5.1-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1346 from n15no.peaks (7.20, 9.93, 118.12 ppm; 5.12 A increased from 4.82 A):
    1 out of 3 assignments used, quality = 0.66:
      HZ    PHE   47 + HE    ARG   48  OK    66    83  95  84  4.1-5.1   ~1982=55, 2.2/1345=50, ~1988=28
      HD1   TRP   72 - HE    ARG   48  far    0    76   0   -  8.2-10.9
      H     LEU   86 - HE    ARG   48  far    0    97   0   -  9.6-10.6
    Violated in 2 structures by 0.00 A.
 
    Peak 1347 from n15no.peaks (2.84, 9.93, 118.12 ppm; 4.35 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    ARG   48 + HE    ARG   48  OK   100   100 100 100  2.2-2.5   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1348 from n15no.peaks (1.63, 9.93, 118.12 ppm; 4.33 A):
    1 out of 6 assignments used, quality = 0.97:
      QG    ARG   48 + HE    ARG   48  OK    97    97 100 100  2.1-3.2   2.9=100
      QB    ALA   95 - HE    ARG   48  far    0    90   0   -  7.1-8.7
      HG    LEU   45 - HE    ARG   48  far    0    95   0   -  7.4-10.4
      QB    ALA   43 - HE    ARG   48  far    0    85   0   -  7.8-9.9
      QG    ARG   46 - HE    ARG   48  far    0    85   0   -  7.9-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1349 from n15no.peaks (1.78, 9.93, 118.12 ppm; 4.71 A):
    1 out of 7 assignments used, quality = 1.00:
      QB    ARG   48 + HE    ARG   48  OK   100   100 100 100  2.5-4.3   4.2=100
      HB2   LEU   45 - HE    ARG   48  far    0    78   0   -  7.5-9.6
      HB2   LEU   86 - HE    ARG   48  far    0    95   0   -  7.8-10.1
      HG    LEU   86 - HE    ARG   48  far    0    63   0   -  9.4-11.6
      QB    LEU   84 - HE    ARG   48  far    0    78   0   -  9.5-10.5
      HB3   GLU   41 - HE    ARG   48  far    0    87   0   -  9.7-11.8
      QE    MET   83 - HE    ARG   48  far    0   100   0   -  9.9-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1350 from n15no.peaks (3.83, 9.93, 118.12 ppm; 5.30 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ARG   48 + HE    ARG   48  OK   100   100 100 100  3.2-4.7   1173/2.5=96, 6.5=55, ~744=53, ~747=52...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 1351 from n15no.peaks (4.75, 9.00, 116.95 ppm; 4.96 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1352 from n15no.peaks (3.07, 9.00, 116.95 ppm; 4.57 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1353 from n15no.peaks (1.84, 9.00, 116.95 ppm; 4.90 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1354 from n15no.peaks (1.60, 9.00, 116.95 ppm; 4.97 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1 from c13no.peaks (4.52, 4.52, 63.85 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   38 + HA    PRO   38  OK   100   100   - 100
 
    Peak 2 from c13no.peaks (2.27, 4.52, 63.85 ppm; 2.87 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   PRO   38 + HA    PRO   38  OK   100   100 100 100  2.3-2.3   2.3=100
      HG2   PRO   40 - HA    PRO   38  far    0   100   0   -  5.7-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3 from c13no.peaks (2.04, 4.52, 63.85 ppm; 3.50 A increased from 3.11 A):
    1 out of 3 assignments used, quality = 1.00:
    * QG    PRO   38 + HA    PRO   38  OK   100   100 100 100  3.5-3.5   3.5=100
      HB2   GLU   41 - HA    PRO   38  far    0    99   0   -  3.7-9.5
      HB2   GLU  125 - HA    PRO  338  far    0    95   0   -  7.9-45.0
    Violated in 0 structures by 0.00 A.
 
    Peak 4 from c13no.peaks (3.93, 4.52, 63.85 ppm; 3.73 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD    PRO   38 + HA    PRO   38  OK   100   100 100 100  3.4-3.4   3.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 5 from c13no.peaks (4.52, 2.27, 32.81 ppm; 3.30 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   38 + HB2   PRO   38  OK   100   100 100 100  2.3-2.3   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 6 from c13no.peaks (2.27, 2.27, 32.81 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PRO   38 + HB2   PRO   38  OK   100   100   - 100
 
    Peak 7 from c13no.peaks (2.04, 2.27, 32.81 ppm; 2.44 A):
    1 out of 2 assignments used, quality = 1.00:
    * QG    PRO   38 + HB2   PRO   38  OK   100   100 100 100  2.2-2.2   2.2=100
      HB2   GLU   41 - HB2   PRO   38  far    0    99   0   -  5.2-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 8 from c13no.peaks (3.93, 2.27, 32.81 ppm; 3.73 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD    PRO   38 + HB2   PRO   38  OK   100   100 100 100  2.9-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 9 from c13no.peaks (4.69, 4.69, 65.94 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   40 + HA    PRO   40  OK   100   100   - 100
 
    Peak 10 from c13no.peaks (2.74, 4.69, 65.94 ppm; 4.99 A):
    2 out of 3 assignments used, quality = 1.00:
    * QB    PRO   40 + HA    PRO   40  OK   100   100 100 100  2.2-2.2   2.2=100
      HB3   TRP   72 + HA    PRO   40  OK    62    65  98  96  2.6-3.6   1629/1631=74, 3.8/51=67, 695/740=52, ~227=13
      HA    ARG   44 - HA    PRO   40  far    0   100   0   -  5.9-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 11 from c13no.peaks (2.27, 4.69, 65.94 ppm; 5.50 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   PRO   40 + HA    PRO   40  OK   100   100 100 100  3.9-3.9   3.8=100
      HB2   PRO   38 - HA    PRO   40  far    0   100   0   -  7.8-9.0
      HG3   GLU   67 - HA    PRO   40  far    0    95   0   -  9.9-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 12 from c13no.peaks (3.85, 4.69, 65.94 ppm; 4.40 A):
    1 out of 3 assignments used, quality = 1.00:
    * HD2   PRO   40 + HA    PRO   40  OK   100   100 100 100  3.6-4.1   3.6=100
      HD2   PRO  126 - HA    PRO  340  far    0    76   0   -  9.4-49.7
      QA    GLY  128 - HA    PRO  340  far    0    99   0   - 10.0-30.0
    Violated in 0 structures by 0.00 A.
 
    Peak 13 from c13no.peaks (3.70, 4.69, 65.94 ppm; 5.42 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO   40 + HA    PRO   40  OK   100   100 100 100  3.6-4.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 14 from c13no.peaks (4.69, 2.74, 32.29 ppm; 3.63 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   40 + QB    PRO   40  OK   100   100 100 100  2.2-2.2   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 15 from c13no.peaks (2.74, 2.74, 32.29 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    PRO   40 + QB    PRO   40  OK   100   100   - 100
 
    Peak 16 from c13no.peaks (2.27, 2.74, 32.29 ppm; 2.98 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   PRO   40 + QB    PRO   40  OK   100   100 100 100  2.2-2.2   2.2=100
      HG3   GLU   76 - QB    PRO   40  far    0    89   0   -  7.5-11.4
      HB2   PRO   38 - QB    PRO   40  far    0   100   0   -  7.9-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 17 from c13no.peaks (3.85, 2.74, 32.29 ppm; 4.74 A):
    1 out of 3 assignments used, quality = 1.00:
    * HD2   PRO   40 + QB    PRO   40  OK   100   100 100 100  2.9-3.5   2.9=100
      HD2   PRO  126 - QB    PRO  340  far    0    76   0   -  6.4-32.9
      QA    GLY  128 - QB    PRO  340  far    0    99   0   -  7.2-15.4
    Violated in 0 structures by 0.00 A.
 
    Peak 18 from c13no.peaks (3.70, 2.74, 32.29 ppm; 5.00 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO   40 + QB    PRO   40  OK   100   100 100 100  2.9-3.5   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 19 from c13no.peaks (4.47, 4.47, 58.24 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   41 + HA    GLU   41  OK   100   100   - 100
 
    Peak 20 from c13no.peaks (2.05, 4.47, 58.24 ppm; 3.98 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB2   GLU   41 + HA    GLU   41  OK   100   100 100 100  2.4-2.6   3.0=100
      HB2   GLU  125 - HA    GLU  341  far    2    99   3   -  4.0-51.6
      HB3   PRO   38 - HA    GLU   41  far    0    63   0   -  5.6-8.9
      QG    PRO   38 - HA    GLU   41  far    0    99   0   -  7.1-9.2
      QG    PRO  126 - HA    GLU  341  far    0    90   0   -  8.7-34.3
      HG    LEU   68 - HA    GLU   41  far    0    96   0   -  9.8-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 21 from c13no.peaks (1.80, 4.47, 58.24 ppm; 3.93 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   GLU   41 + HA    GLU   41  OK   100   100 100 100  2.3-2.5   3.0=100
      QB    ARG   48 - HA    GLU   41  far    0    95   0   -  7.5-8.7
      HG    LEU   87 - HA    GLU   41  far    0    95   0   -  9.1-10.4
      HB3   ARG  124 - HA    GLU  341  far    0   100   0   -  9.2-52.5
    Violated in 0 structures by 0.00 A.
 
    Peak 22 from c13no.peaks (2.32, 4.47, 58.24 ppm; 4.16 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   GLU   41 + HA    GLU   41  OK   100   100 100 100  2.2-4.2   4.0=100
      QG    GLU  125 - HA    GLU  341  far    2    96   3   -  2.8-35.0
    Violated in 2 structures by 0.00 A.
 
    Peak 23 from c13no.peaks (4.47, 2.05, 29.39 ppm; 3.90 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    GLU   41 + HB2   GLU   41  OK   100   100 100 100  2.4-2.6   3.0=100
      HA    PRO  126 - HB2   GLU  341  far    0    60   0   -  7.5-50.1
    Violated in 0 structures by 0.00 A.
 
    Peak 24 from c13no.peaks (2.05, 2.05, 29.39 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   GLU   41 + HB2   GLU   41  OK   100   100   - 100
 
    Peak 25 from c13no.peaks (1.80, 2.05, 29.39 ppm; 2.90 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   GLU   41 + HB2   GLU   41  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   ARG  124 - HB2   GLU  341  far    0   100   0   -  7.6-51.4
      QB    ARG   48 - HB2   GLU   41  far    0    95   0   -  9.2-10.7
      HG2   ARG  123 - HB2   GLU  341  far    0    68   0   -  9.5-47.4
    Violated in 0 structures by 0.00 A.
 
    Peak 26 from c13no.peaks (2.32, 2.05, 29.39 ppm; 2.76 A increased from 2.59 A):
    1 out of 3 assignments used, quality = 0.85:
    * HG2   GLU   41 + HB2   GLU   41  OK    85   100  98  87  2.4-2.8   3.0=81, 734/736=35
      QG    GLU  125 - HB2   GLU  341  far    0    96   0   -  2.9-34.0
      HB2   PRO  126 - HB2   GLU  341  far    0   100   0   -  9.5-49.8
    Violated in 3 structures by 0.01 A.
 
    Peak 27 from c13no.peaks (4.47, 1.80, 29.39 ppm; 3.89 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLU   41 + HB3   GLU   41  OK   100   100 100 100  2.3-2.5   3.0=100
      HA    SER   79 - HB3   ARG   74  far    0    70   0   -  8.9-10.2
      HA    PRO  126 - HB3   GLU  341  far    0    60   0   -  9.1-50.7
      HA    PRO  126 - HB3   ARG  374  far    0    51   0   -  9.6-55.6
    Violated in 0 structures by 0.00 A.
 
    Peak 28 from c13no.peaks (2.05, 1.80, 29.39 ppm; 2.97 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB2   GLU   41 + HB3   GLU   41  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   GLU  125 - HB3   GLU  341  far    0    99   0   -  4.1-51.1
      HB3   PRO   38 - HB3   GLU   41  far    0    63   0   -  5.2-8.7
      QG    PRO   38 - HB3   GLU   41  far    0    99   0   -  6.6-8.8
      QG    PRO  126 - HB3   GLU  341  far    0    90   0   -  8.9-32.7
    Violated in 0 structures by 0.00 A.
 
    Peak 29 from c13no.peaks (1.80, 1.80, 29.39 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   GLU   41 + HB3   GLU   41  OK   100   100   - 100
      HB3   ARG   74 + HB3   ARG   74  OK    93    93   - 100
 
    Peak 30 from c13no.peaks (2.32, 1.80, 29.39 ppm; 3.40 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG2   GLU   41 + HB3   GLU   41  OK   100   100 100 100  2.2-3.0   3.0=100
      QG    GLU  125 - HB3   GLU  341  far    0    96   0   -  4.1-34.5
      QG    GLU  125 - HB3   ARG  374  far    0    86   0   -  8.0-34.3
      QB    GLN  107 - HB3   GLU  341  far    0    89   0   -  9.7-34.5
    Violated in 0 structures by 0.00 A.
 
    Peak 31 from c13no.peaks (4.06, 4.06, 55.20 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    ALA   42 + HA    ALA   42  OK   100   100   - 100
      HA    ALA   43 + HA    ALA   43  OK    89    89   - 100
 
    Peak 32 from c13no.peaks (1.44, 4.06, 55.20 ppm; 2.76 A):
    1 out of 4 assignments used, quality = 1.00:
    * QB    ALA   42 + HA    ALA   42  OK   100   100 100 100  2.1-2.1   2.1=100
      QB    ALA   42 - HA    ALA   43  far    0    96   0   -  3.6-3.9
      HB3   LEU  118 - HA    ALA  342  far    0    76   0   -  8.6-48.7
    Violated in 0 structures by 0.00 A.
 
    Peak 33 from c13no.peaks (4.06, 1.44, 18.36 ppm; 2.57 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    ALA   42 + QB    ALA   42  OK   100   100 100 100  2.1-2.1   2.1=100
      HA3   GLY   39 - QB    ALA   42  far    0   100   0   -  3.1-4.3
      HA    ALA   43 - QB    ALA   42  far    0    96   0   -  3.6-3.9
      HA    LEU   68 - QB    ALA   42  far    0    99   0   -  7.5-8.9
      HA    LEU   96 - QB    ALA  102  far    0    64   0   -  8.5-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 34 from c13no.peaks (1.44, 1.44, 18.36 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QB    ALA   42 + QB    ALA   42  OK   100   100   - 100
      QB    ALA  102 + QB    ALA  102  OK    66    66   - 100
 
    Peak 35 from c13no.peaks (4.05, 4.05, 55.20 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    ALA   43 + HA    ALA   43  OK   100   100   - 100
      HA    ALA   42 + HA    ALA   42  OK    89    89   - 100
 
    Peak 36 from c13no.peaks (1.61, 4.05, 55.20 ppm; 3.00 A):
    1 out of 8 assignments used, quality = 1.00:
    * QB    ALA   43 + HA    ALA   43  OK   100   100 100 100  2.1-2.1   2.1=100
      HG    LEU   45 - HA    ALA   42  poor  15    94  23  72  2.8-5.9   2.1/1948=43, 3.0/1583=28, 1949/680=26, ~1951=8
      HG    LEU   45 - HA    ALA   43  far    0    99   0   -  4.1-7.7
      QB    ALA   43 - HA    ALA   42  far    0    96   0   -  5.0-5.0
      QG    ARG   48 - HA    ALA   43  far    0    98   0   -  7.1-9.7
      QG    ARG   48 - HA    ALA   42  far    0    92   0   -  7.8-10.3
      QG    ARG   74 - HA    ALA   43  far    0    76   0   -  8.1-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 37 from c13no.peaks (4.05, 1.61, 18.28 ppm; 2.86 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    ALA   43 + QB    ALA   43  OK   100   100 100 100  2.1-2.1   2.1=100
      HA    LEU   68 - QB    ALA   43  far    0    83   0   -  3.0-4.6
      HA3   GLY   39 - QB    ALA   43  far    0    92   0   -  4.8-6.3
      HA    ALA   42 - QB    ALA   43  far    0    96   0   -  5.0-5.0
    Violated in 0 structures by 0.00 A.
 
    Peak 38 from c13no.peaks (1.61, 1.61, 18.28 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ALA   43 + QB    ALA   43  OK   100   100   - 100
 
    Peak 39 from c13no.peaks (2.73, 2.73, 60.63 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   44 + HA    ARG   44  OK   100   100   - 100
 
    Peak 40 from c13no.peaks (1.76, 1.76, 42.19 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   LEU   45 + HB2   LEU   45  OK   100   100   - 100
      HB2   LEU   62 + HB2   LEU   62  OK   100   100   - 100
 
    Peak 41 from c13no.peaks (1.39, 1.76, 42.19 ppm; 2.87 A):
    2 out of 3 assignments used, quality = 1.00:
    * HB3   LEU   45 + HB2   LEU   45  OK   100   100 100 100  1.8-1.8   1.8=100
      HG    LEU   62 + HB2   LEU   62  OK    98   100 100  98  2.3-2.5   3.0=90, 884/883=38, 2291/2198=19, ~147=17...(9)
      QB    ALA  115 - HB2   LEU   62  far    0    91   0   -  6.3-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 42 from c13no.peaks (1.61, 1.76, 42.19 ppm; 3.28 A):
    1 out of 5 assignments used, quality = 1.00:
    * HG    LEU   45 + HB2   LEU   45  OK   100   100 100 100  2.3-3.0   3.0=100
      QG    ARG   66 - HB2   LEU   62  far    0    73   0   -  4.6-5.7
      QG    ARG   48 - HB2   LEU   45  far    0   100   0   -  5.1-7.5
      QB    ALA   43 - HB2   LEU   45  far    0    99   0   -  5.5-6.7
      QB    ALA   95 - HB2   LEU   62  far    0   100   0   -  8.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 45 from c13no.peaks (1.76, 1.39, 42.19 ppm; 2.98 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   LEU   45 + HB3   LEU   45  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    ARG   48 - HB3   LEU   45  far    0    65   0   -  4.4-5.1
      HG3   PRO  109 - HB3   LEU  345  far    0    99   0   -  9.8-52.7
    Violated in 0 structures by 0.00 A.
 
    Peak 46 from c13no.peaks (1.39, 1.39, 42.19 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   45 + HB3   LEU   45  OK   100   100   - 100
 
    Peak 47 from c13no.peaks (1.61, 1.39, 42.19 ppm; 3.40 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG    LEU   45 + HB3   LEU   45  OK   100   100 100 100  2.5-3.0   3.0=100
      QG    ARG   48 - HB3   LEU   45  far    0   100   0   -  4.9-6.9
      QB    ALA   43 - HB3   LEU   45  far    0    99   0   -  6.7-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 50 from c13no.peaks (3.98, 3.98, 60.00 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    ARG   46 + HA    ARG   46  OK   100   100   - 100
      HA    GLN   59 + HA    GLN   59  OK    34    34   - 100
 
    Peak 51 from c13no.peaks (1.92, 3.98, 60.00 ppm; 3.18 A):
    1 out of 5 assignments used, quality = 1.00:
    * QB    ARG   46 + HA    ARG   46  OK   100   100 100 100  2.2-2.5   2.5=100
      HB3   GLU  113 - HA    GLN   59  far    0    56   0   -  6.2-7.4
      HB2   LEU   65 - HA    GLN   59  far    0    39   0   -  7.9-8.4
      HB3   PRO  112 - HA    GLN   59  far    0    47   0   -  8.1-9.1
      HG    LEU  118 - HA    GLN   59  far    0    53   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 52 from c13no.peaks (1.65, 3.98, 60.00 ppm; 3.51 A):
    1 out of 2 assignments used, quality = 1.00:
    * QG    ARG   46 + HA    ARG   46  OK   100   100 100 100  2.0-2.7   3.3=100
      QG    ARG   48 - HA    ARG   46  far    0    60   0   -  5.7-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 53 from c13no.peaks (3.25, 3.98, 60.00 ppm; 4.25 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD    ARG   46 + HA    ARG   46  OK   100   100 100 100  2.1-3.7   4.2=100
      HB2   PHE   50 - HA    ARG   46  far    0   100   0   -  5.7-6.5
      HB2   PHE   47 - HA    ARG   46  far    0    85   0   -  6.0-6.2
    Violated in 2 structures by 0.00 A.
 
    Peak 54 from c13no.peaks (3.98, 1.92, 30.92 ppm; 3.34 A):
    1 out of 7 assignments used, quality = 1.00:
    * HA    ARG   46 + QB    ARG   46  OK   100   100 100 100  2.2-2.5   2.5=100
      HA    ILE  100 - HB3   ARG  103  far    4    29  15   -  2.3-4.4
      QA    GLY  106 - HB3   ARG  103  far    0    30   0   -  5.5-6.8
      QA    GLY  127 - HB3   ARG  103  far    0    54   0   -  5.5-17.5
      HA    GLN  105 - HB3   ARG  103  far    0    59   0   -  7.4-7.6
      QA    GLY  121 - HB3   ARG  103  far    0    61   0   -  7.7-9.3
      HA    GLN   71 - QB    ARG   46  far    0   100   0   -  8.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 55 from c13no.peaks (1.92, 1.92, 30.92 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QB    ARG   46 + QB    ARG   46  OK   100   100   - 100
      HB3   ARG  103 + HB3   ARG  103  OK    59    59   - 100
 
    Peak 56 from c13no.peaks (1.65, 1.92, 30.92 ppm; 3.10 A):
    1 out of 2 assignments used, quality = 1.00:
    * QG    ARG   46 + QB    ARG   46  OK   100   100 100 100  2.0-2.0   2.1=100
      QG    ARG   48 - QB    ARG   46  far    0    60   0   -  5.8-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 57 from c13no.peaks (3.25, 1.92, 30.92 ppm; 3.38 A):
    2 out of 8 assignments used, quality = 1.00:
    * QD    ARG   46 + QB    ARG   46  OK   100   100 100 100  2.0-2.4   2.1=100
      QD    ARG  103 + HB3   ARG  103  OK    57    57 100 100  2.1-3.3   3.3=100
      HB2   PHE   47 - QB    ARG   46  far    0    85   0   -  4.4-4.7
      HB2   PHE   50 - QB    ARG   46  far    0   100   0   -  5.4-6.0
      HD3   PRO   97 - HB3   ARG  103  far    0    47   0   -  7.0-8.9
      HD2   ARG  108 - HB3   ARG  103  far    0    49   0   -  9.0-10.8
      HD2   ARG   70 - QB    ARG   46  far    0    68   0   -  9.5-11.3
      QD    ARG   46 - HB3   ARG  403  far    0    62   0   -  9.9-30.2
    Violated in 0 structures by 0.00 A.
 
    Peak 58 from c13no.peaks (4.43, 4.43, 60.22 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PHE   47 + HA    PHE   47  OK   100   100   - 100
 
    Peak 59 from c13no.peaks (3.27, 4.43, 60.22 ppm; 5.37 A):
    2 out of 3 assignments used, quality = 1.00:
    * HB2   PHE   47 + HA    PHE   47  OK   100   100 100 100  2.2-2.3   3.0=100
      HB2   PHE   50 + HA    PHE   47  OK    85    93 100  91  2.6-3.5   2013/2486=67, 2014/2379=61, 2026/6.9=32
      QD    ARG   46 - HA    PHE   47  far    4    85   5   -  5.2-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 60 from c13no.peaks (3.04, 4.43, 60.22 ppm; 4.88 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   PHE   47 + HA    PHE   47  OK   100   100 100 100  2.9-3.0   3.0=100
      HB3   PHE   92 - HA    PHE   47  far    0    90   0   -  9.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 61 from c13no.peaks (4.43, 3.27, 39.68 ppm; 4.96 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PHE   47 + HB2   PHE   47  OK   100   100 100 100  2.2-2.3   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 62 from c13no.peaks (3.27, 3.27, 39.68 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PHE   47 + HB2   PHE   47  OK   100   100   - 100
 
    Peak 63 from c13no.peaks (3.04, 3.27, 39.68 ppm; 5.04 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   PHE   47 + HB2   PHE   47  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   PHE   92 - HB2   PHE   47  far    0    90   0   -  9.3-10.3
      HD3   ARG   66 - HB2   PHE   47  far    0   100   0   -  9.8-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 64 from c13no.peaks (4.43, 3.04, 39.68 ppm; 4.74 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    PHE   47 + HB3   PHE   47  OK   100   100 100 100  2.9-3.0   3.0=100
      HA    PHE   47 - HB3   PHE   92  far    0    67   0   -  9.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 65 from c13no.peaks (3.27, 3.04, 39.68 ppm; 4.26 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB2   PHE   47 + HB3   PHE   47  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   PHE   50 - HB3   PHE   47  far    0    93   0   -  5.2-6.3
      QD    ARG   46 - HB3   PHE   47  far    0    85   0   -  5.6-6.7
      HB2   PHE   50 - HB3   PHE   92  far    0    57   0   -  7.5-8.7
      HB2   PHE   47 - HB3   PHE   92  far    0    67   0   -  9.3-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 66 from c13no.peaks (3.04, 3.04, 39.68 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   PHE   47 + HB3   PHE   47  OK   100   100   - 100
      HB3   PHE   92 + HB3   PHE   92  OK    54    54   - 100
 
    Peak 67 from c13no.peaks (4.53, 4.53, 58.87 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    CYS   49 + HA    CYS   49  OK   100   100   - 100
 
    Peak 68 from c13no.peaks (3.08, 4.53, 58.87 ppm; 4.77 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   CYS   49 + HA    CYS   49  OK   100   100 100 100  2.5-2.7   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 69 from c13no.peaks (2.88, 4.53, 58.87 ppm; 3.48 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   CYS   49 + HA    CYS   49  OK   100   100 100 100  3.0-3.0   3.0=100
      HB3   HIS   51 - HA    CYS   49  far    0    98   0   -  5.7-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 70 from c13no.peaks (4.53, 3.08, 27.44 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    CYS   49 + HB2   CYS   49  OK   100   100 100 100  2.5-2.7   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 71 from c13no.peaks (3.08, 3.08, 27.44 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   CYS   49 + HB2   CYS   49  OK   100   100   - 100
 
    Peak 72 from c13no.peaks (2.88, 3.08, 27.44 ppm; 3.09 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   CYS   49 + HB2   CYS   49  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   HIS   51 - HB2   CYS   49  far    0    98   0   -  5.6-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 73 from c13no.peaks (4.53, 2.88, 27.44 ppm; 4.05 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    CYS   49 + HB3   CYS   49  OK   100   100 100 100  3.0-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 75 from c13no.peaks (2.88, 2.88, 27.44 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   CYS   49 + HB3   CYS   49  OK   100   100   - 100
 
    Peak 76 from c13no.peaks (4.14, 4.14, 60.10 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    PHE   50 + HA    PHE   50  OK   100   100   - 100
      HA    GLU   99 + HA    GLU   99  OK    80    80   - 100
 
    Peak 77 from c13no.peaks (3.26, 4.14, 60.10 ppm; 3.93 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB2   PHE   50 + HA    PHE   50  OK   100   100 100 100  2.4-2.5   3.0=100
      HB2   PHE   47 - HA    PHE   50  far    0    93   0   -  6.4-7.7
      QD    ARG  103 - HA    GLU   99  far    0    74   0   -  6.7-7.3
      HD3   PRO   97 - HA    GLU   99  far    0    58   0   -  7.2-7.4
      QD    ARG   46 - HA    PHE   50  far    0   100   0   -  7.7-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 78 from c13no.peaks (2.61, 4.14, 60.10 ppm; 4.15 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   PHE   50 + HA    PHE   50  OK   100   100 100 100  3.0-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 79 from c13no.peaks (4.14, 3.26, 40.84 ppm; 4.14 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    PHE   50 + HB2   PHE   50  OK   100   100 100 100  2.4-2.5   3.0=100
      HA    GLN   64 - HB2   PHE   50  far    0    81   0   -  7.0-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 80 from c13no.peaks (3.26, 3.26, 40.84 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PHE   50 + HB2   PHE   50  OK   100   100   - 100
 
    Peak 81 from c13no.peaks (2.61, 3.26, 40.84 ppm; 3.51 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   PHE   50 + HB2   PHE   50  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   CYS   69 - HB2   PHE   50  far    0    95   0   -  8.8-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 82 from c13no.peaks (4.14, 2.61, 40.84 ppm; 4.22 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    PHE   50 + HB3   PHE   50  OK   100   100 100 100  3.0-3.0   3.0=100
      HA    GLN   64 - HB3   PHE   50  far    0    81   0   -  7.8-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 83 from c13no.peaks (3.26, 2.61, 40.84 ppm; 3.49 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   PHE   50 + HB3   PHE   50  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   PHE   47 - HB3   PHE   50  far    0    93   0   -  5.2-6.1
      QD    ARG   46 - HB3   PHE   50  far    0   100   0   -  8.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 84 from c13no.peaks (2.61, 2.61, 40.84 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   PHE   50 + HB3   PHE   50  OK   100   100   - 100
 
    Peak 85 from c13no.peaks (4.72, 4.72, 54.22 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    HIS   51 + HA    HIS   51  OK   100   100   - 100
 
    Peak 86 from c13no.peaks (2.96, 4.72, 54.22 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   HIS   51 + HA    HIS   51  OK   100   100 100 100  2.2-2.3   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 87 from c13no.peaks (4.72, 2.96, 31.29 ppm; 3.57 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    HIS   51 + HB2   HIS   51  OK   100   100 100 100  2.2-2.3   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 88 from c13no.peaks (2.96, 2.96, 31.29 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   HIS   51 + HB2   HIS   51  OK   100   100   - 100
 
    Peak 89 from c13no.peaks (4.10, 4.10, 59.08 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HA    TYR   52 + HA    TYR   52  OK   100   100   - 100
      HA    GLU  114 + HA    GLU  114  OK    59    59   - 100
      HA    GLN   64 + HA    GLN   64  OK    53    53   - 100
 
    Peak 90 from c13no.peaks (2.78, 4.10, 59.08 ppm; 3.59 A):
    1 out of 2 assignments used, quality = 1.00:
    * QB    TYR   52 + HA    TYR   52  OK   100   100 100 100  2.2-2.3   2.5=100
      HB2   ASP  120 - HA    GLU  114  far    0    50   0   -  8.1-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 91 from c13no.peaks (4.10, 2.78, 39.76 ppm; 3.86 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    TYR   52 + QB    TYR   52  OK   100   100 100 100  2.2-2.3   2.5=100
      HD2   PRO   58 - QB    TYR   52  far    0    97   0   -  6.9-7.2
      HA    ALA   63 - QB    TYR   52  far    0   100   0   -  9.7-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 92 from c13no.peaks (2.78, 2.78, 39.76 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    TYR   52 + QB    TYR   52  OK   100   100   - 100
 
    Peak 93 from c13no.peaks (4.23, 4.23, 55.13 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLU   53 + HA    GLU   53  OK   100   100   - 100
      HA    ALA  117 + HA    ALA  117  OK    96    96   - 100
 
    Peak 94 from c13no.peaks (1.97, 4.23, 55.13 ppm; 3.52 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB2   GLU   53 + HA    GLU   53  OK   100   100 100 100  2.2-2.3   3.0=100
      QB    ARG  123 - HA    ALA  117  far    0    99   0   -  7.2-8.4
      QB    ARG  123 - HA    GLU   53  far    0   100   0   -  7.8-10.1
      HB2   PRO  109 - HA    ALA  117  far    0    85   0   -  7.8-8.1
      HB    VAL  104 - HA    ALA  117  far    0    96   0   -  9.2-9.6
      HB3   PRO  126 - HA    ALA  117  far    0    96   0   -  9.9-19.8
    Violated in 0 structures by 0.00 A.
 
    Peak 95 from c13no.peaks (2.15, 4.23, 55.13 ppm; 3.50 A):
    1 out of 4 assignments used, quality = 1.00:
    * QG    GLU   53 + HA    GLU   53  OK   100   100 100 100  3.1-3.2   3.3=100
      HB2   LEU  118 - HA    ALA  117  far    0    54   0   -  6.1-6.2
      HB2   GLU   60 - HA    GLU   53  far    0    71   0   -  7.9-9.4
      QG    GLU   90 - HA    ALA  417  far    0    94   0   -  9.9-49.8
    Violated in 0 structures by 0.00 A.
 
    Peak 96 from c13no.peaks (4.23, 2.15, 36.37 ppm; 3.22 A):
    1 out of 4 assignments used, quality = 0.99:
    * HA    GLU   53 + QG    GLU   53  OK    99   100 100  99  3.1-3.2   3.3=90, 3.0/2093=48, 718/4.4=30, 67/2089=27...(12)
      HA    THR   56 - QG    GLU   53  far    0    83   0   -  5.1-5.9
      HA3   GLY   57 - QG    GLU   53  far    0    71   0   -  6.6-7.0
      HA    GLU   60 - QG    GLU   53  far    0    97   0   -  7.4-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 97 from c13no.peaks (1.97, 2.15, 36.37 ppm; 2.60 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   GLU   53 + QG    GLU   53  OK   100   100 100 100  2.2-2.3   2.5=100
      HB2   LEU   65 - QG    GLU   53  far    0    65   0   -  8.9-9.6
      QB    ARG  123 - QG    GLU   53  far    0   100   0   -  9.1-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 98 from c13no.peaks (2.15, 2.15, 36.37 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    GLU   53 + QG    GLU   53  OK   100   100   - 100
 
    Peak 99 from c13no.peaks (3.83, 3.83, 59.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   54 + HA    GLU   54  OK   100   100   - 100
 
    Peak 100 from c13no.peaks (2.02, 3.83, 59.07 ppm; 3.08 A):
    1 out of 4 assignments used, quality = 1.00:
    * QB    GLU   54 + HA    GLU   54  OK   100   100 100 100  2.2-2.4   2.5=100
      HB3   GLU   60 - HA    GLU   54  far    0    95   0   -  6.7-8.4
      HB3   PRO   97 - HA    GLU   54  far    0    89   0   -  8.8-9.6
      QB    GLU   99 - HA    GLU   54  far    0    63   0   -  9.7-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 101 from c13no.peaks (2.26, 3.83, 59.07 ppm; 3.17 A):
    1 out of 4 assignments used, quality = 0.97:
    * QG    GLU   54 + HA    GLU   54  OK    97   100  98 100  2.3-2.5   2188=99, 2192/3.0=42, 231/2183=36, 243/2184=19...(11)
      HG2   PRO   58 - HA    GLU   54  far    0   100   0   -  5.7-6.7
      HB    VAL  119 - HA    GLU   54  far    0    99   0   -  5.8-7.7
      HG2   PRO   97 - HA    GLU   54  far    0    83   0   -  7.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 102 from c13no.peaks (3.83, 2.02, 30.20 ppm; 3.34 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    GLU   54 + QB    GLU   54  OK   100   100 100 100  2.2-2.4   2.5=100
      HD3   PRO   58 - QB    GLU   54  far    0    90   0   -  5.7-6.3
      HD2   PRO   97 - QB    GLU   54  far    0    95   0   -  6.4-7.1
      QA    GLY  128 - QB    GLU   54  far    0    99   0   -  7.0-17.2
      HD2   PRO  126 - QB    GLU   54  far    0    98   0   -  7.1-13.8
    Violated in 0 structures by 0.00 A.
 
    Peak 103 from c13no.peaks (2.02, 2.02, 30.20 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLU   54 + QB    GLU   54  OK   100   100   - 100
 
    Peak 104 from c13no.peaks (2.26, 2.02, 30.20 ppm; 2.59 A):
    1 out of 4 assignments used, quality = 1.00:
    * QG    GLU   54 + QB    GLU   54  OK   100   100 100 100  2.0-2.1   2.1=100
      HB    VAL  119 - QB    GLU   54  far    0    99   0   -  4.9-8.0
      HG2   PRO   58 - QB    GLU   54  far    0   100   0   -  5.9-7.6
      HG2   PRO   97 - QB    GLU   54  far    0    83   0   -  6.4-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 105 from c13no.peaks (4.28, 4.28, 53.77 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ALA   55 + HA    ALA   55  OK   100   100   - 100
 
    Peak 106 from c13no.peaks (1.43, 4.28, 53.77 ppm; 2.87 A):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ALA   55 + HA    ALA   55  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 107 from c13no.peaks (4.28, 1.43, 19.52 ppm; 2.60 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    ALA   55 + QB    ALA   55  OK   100   100 100 100  2.1-2.1   2.1=100
      HB    THR   56 - QB    ALA   55  far    0    97   0   -  3.6-3.8
      HA    THR   56 - QB    ALA   55  far    0    68   0   -  3.9-4.0
    Violated in 0 structures by 0.00 A.
 
    Peak 108 from c13no.peaks (1.43, 1.43, 19.52 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ALA   55 + QB    ALA   55  OK   100   100   - 100
 
    Peak 109 from c13no.peaks (4.25, 4.25, 63.14 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    THR   56 + HA    THR   56  OK   100   100   - 100
 
    Peak 110 from c13no.peaks (4.29, 4.25, 63.14 ppm; 2.70 A increased from 2.40 A):
    1 out of 3 assignments used, quality = 0.99:
    * HB    THR   56 + HA    THR   56  OK    99   100 100  99  2.5-2.6   112=95, 2.1/704=45, 2119/3.0=28, 2118/3.6=21...(10)
      HA    ALA   55 - HA    THR   56  far    0    97   0   -  4.6-4.6
      HA    ALA   61 - HA    THR   56  far    0    68   0   -  7.2-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 111 from c13no.peaks (1.28, 4.25, 63.14 ppm; 3.24 A increased from 3.05 A):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   THR   56 + HA    THR   56  OK   100   100 100 100  3.1-3.2   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 112 from c13no.peaks (4.25, 4.29, 69.72 ppm; 2.75 A increased from 2.59 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    THR   56 + HB    THR   56  OK   100   100 100 100  2.5-2.6   110=100, 704/2.1=47, 3.0/2119=29, 3.6/2118=22...(10)
      HA    ALA   55 - HB    THR   56  far    0    68   0   -  5.4-5.5
      HA    GLU   53 - HB    THR   56  far    0    83   0   -  5.5-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 113 from c13no.peaks (4.29, 4.29, 69.72 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB    THR   56 + HB    THR   56  OK   100   100   - 100
 
    Peak 114 from c13no.peaks (1.28, 4.29, 69.72 ppm; 2.94 A):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   THR   56 + HB    THR   56  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 115 from c13no.peaks (4.61, 4.61, 66.09 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   58 + HA    PRO   58  OK   100   100   - 100
 
    Peak 116 from c13no.peaks (2.39, 4.61, 66.09 ppm; 4.17 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   PRO   58 + HA    PRO   58  OK   100   100 100 100  2.7-2.7   2.3=100
      HG2   GLU   60 - HA    PRO   58  far    0    95   0   -  6.8-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 117 from c13no.peaks (2.07, 4.61, 66.09 ppm; 4.24 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   PRO   58 + HA    PRO   58  OK   100   100 100 100  2.3-2.3   2.3=100
      HB2   PRO  112 - HA    PRO   58  far    0    76   0   -  8.3-8.8
      HG3   PRO   97 - HA    PRO   58  far    0    71   0   -  9.0-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 118 from c13no.peaks (2.19, 4.61, 66.09 ppm; 4.85 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG3   PRO   58 + HA    PRO   58  OK   100   100 100 100  3.9-4.0   3.8=100
      HG3   GLU  113 - HA    PRO   58  far    0    60   0   -  8.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 119 from c13no.peaks (4.61, 2.39, 33.13 ppm; 4.02 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   58 + HB2   PRO   58  OK   100   100 100 100  2.7-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 120 from c13no.peaks (2.39, 2.39, 33.13 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PRO   58 + HB2   PRO   58  OK   100   100   - 100
 
    Peak 121 from c13no.peaks (2.07, 2.39, 33.13 ppm; 3.25 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   PRO   58 + HB2   PRO   58  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   PRO  112 - HB2   PRO   58  far    0    76   0   -  7.3-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 122 from c13no.peaks (2.26, 2.39, 33.13 ppm; 3.49 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG2   PRO   58 + HB2   PRO   58  OK   100   100 100 100  2.3-2.7   2.3=100
      HB    VAL  119 - HB2   PRO   58  far   10    98  10   -  3.3-5.3
      QG    GLU   54 - HB2   PRO   58  far    0   100   0   -  6.9-7.6
      HG3   GLU  114 - HB2   PRO   58  far    0    98   0   - 10.0-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 123 from c13no.peaks (4.61, 2.07, 33.13 ppm; 3.94 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   58 + HB3   PRO   58  OK   100   100 100 100  2.3-2.3   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 124 from c13no.peaks (2.39, 2.07, 33.13 ppm; 3.19 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   PRO   58 + HB3   PRO   58  OK   100   100 100 100  1.8-1.8   1.8=100
      HG2   GLU   60 - HB3   PRO   58  far    0    95   0   -  9.0-9.8
      HG2   GLN  101 - HB3   PRO   58  far    0    85   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 125 from c13no.peaks (2.07, 2.07, 33.13 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   PRO   58 + HB3   PRO   58  OK   100   100   - 100
 
    Peak 126 from c13no.peaks (2.26, 2.07, 33.13 ppm; 3.08 A):
    2 out of 4 assignments used, quality = 1.00:
    * HG2   PRO   58 + HB3   PRO   58  OK   100   100 100 100  2.3-3.0   2.3=100
      HB    VAL  119 + HB3   PRO   58  OK    42    98  45  94  2.6-3.9   2.1/2140=40, 2.1/2139=33, ~2131=26, 3966/170=21...(12)
      QG    GLU   54 - HB3   PRO   58  far    0   100   0   -  5.3-6.1
      HG2   PRO   97 - HB3   PRO   58  far    0    76   0   -  9.1-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 127 from c13no.peaks (3.96, 3.96, 60.16 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLN   59 + HA    GLN   59  OK   100   100   - 100
      HA    ARG   46 + HA    ARG   46  OK    34    34   - 100
 
    Peak 128 from c13no.peaks (2.11, 3.96, 60.16 ppm; 3.15 A):
    1 out of 7 assignments used, quality = 1.00:
    * QB    GLN   59 + HA    GLN   59  OK   100   100 100 100  2.3-2.5   2.5=100
      HB2   GLU   60 - HA    GLN   59  far    0    90   0   -  5.6-5.8
      HB2   PRO  112 - HA    GLN   59  far    0    96   0   -  6.5-7.6
      HB3   PRO   38 - HA    ARG   46  far    0    27   0   -  8.7-10.7
      QB    GLU  114 - HA    GLN   59  far    0   100   0   -  9.0-9.8
      QB    GLU   85 - HA    GLN   59  far    0    95   0   -  9.7-11.3
      HB2   LEU  118 - HA    ARG  346  far    0    53   0   -  9.8-55.3
    Violated in 0 structures by 0.00 A.
 
    Peak 129 from c13no.peaks (2.50, 3.96, 60.16 ppm; 3.93 A increased from 3.70 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   GLN   59 + HA    GLN   59  OK   100   100 100 100  3.4-3.8   2204=97, 1.8/2203=87, 2223/2.9=53, 3.5/867=43...(13)
      HG3   GLN   64 - HA    GLN   59  far    0    83   0   -  7.4-7.8
      HB3   CYS   69 - HA    ARG   46  far    0    56   0   -  9.1-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 130 from c13no.peaks (3.96, 2.11, 27.41 ppm; 3.14 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    GLN   59 + QB    GLN   59  OK   100   100 100 100  2.3-2.5   2.5=100
      QA    GLY  127 - QB    GLN   59  far    0    96   0   -  5.9-19.4
      QA    GLY  121 - QB    GLN   59  far    0    81   0   -  9.0-9.7
      HA    PRO  112 - QB    GLN   59  far    0    73   0   -  9.1-10.2
      HA    ALA  115 - QB    GLN   59  far    0    85   0   - 10.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 131 from c13no.peaks (2.11, 2.11, 27.41 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLN   59 + QB    GLN   59  OK   100   100   - 100
 
    Peak 132 from c13no.peaks (2.50, 2.11, 27.41 ppm; 3.16 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   GLN   59 + QB    GLN   59  OK   100   100 100 100  2.1-2.2   2.5=100
      HG3   GLN   64 - QB    GLN   59  far    0    83   0   -  7.3-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 133 from c13no.peaks (4.22, 4.22, 59.32 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLU   60 + HA    GLU   60  OK   100   100   - 100
      HA    GLU   67 + HA    GLU   67  OK    85    85   - 100
 
    Peak 134 from c13no.peaks (2.12, 4.22, 59.32 ppm; 2.87 A):
    1 out of 10 assignments used, quality = 0.90:
      QB    GLU   67 + HA    GLU   67  OK    90    90 100 100  2.1-2.2   2.5=100
    ! HB2   GLU   60 - HA    GLU   60  far    5   100   5   -  2.5-3.0
      QB    GLN   59 - HA    GLU   60  far    0    90   0   -  3.8-3.9
      QB    GLN   71 - HA    GLU   67  far    0    79   0   -  4.5-5.9
      HB3   GLN   64 - HA    GLU   60  far    0    92   0   -  6.8-7.1
      QG    GLU   53 - HA    GLU   60  far    0    65   0   -  7.4-7.9
      HB3   GLN   64 - HA    GLU   67  far    0    79   0   -  7.4-7.8
      QB    GLU   67 - HA    GLU   60  far    0   100   0   -  8.1-8.6
      HB2   PRO  112 - HA    GLU   60  far    0    63   0   -  9.5-10.7
      QB    GLU   85 - HA    GLU   67  far    0    91   0   - 10.0-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 135 from c13no.peaks (2.41, 4.22, 59.32 ppm; 3.49 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   GLU   60 + HA    GLU   60  OK   100   100 100 100  2.3-2.9   2227=100, 138/3.0=64, 1.8/2226=55, 2245/3.0=38...(15)
      HB2   PRO   58 - HA    GLU   60  far    0    95   0   -  7.4-7.6
      HG2   GLU   81 - HA    GLU   67  far    0    85   0   -  8.5-12.5
    Violated in 0 structures by 0.00 A.
 
    Peak 136 from c13no.peaks (4.22, 2.12, 29.34 ppm; 2.96 A):
    2 out of 7 assignments used, quality = 1.00:
    * HA    GLU   60 + HB2   GLU   60  OK    99   100 100  99  2.5-3.0   3.0=99
      HA    GLU   67 + QB    GLU   67  OK    93    93 100 100  2.1-2.2   2.5=100
      HA3   GLY   57 - HB2   GLU   60  far    0    92   0   -  3.6-4.1
      HA    GLU   60 - HB3   GLN   64  far    0    56   0   -  6.8-7.1
      HA    GLU   67 - HB3   GLN   64  far    0    51   0   -  7.4-7.8
      HA    GLU   53 - HB2   GLU   60  far    0    97   0   -  7.9-9.4
      HA    GLU   60 - QB    GLU   67  far    0    98   0   -  8.1-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 137 from c13no.peaks (2.12, 2.12, 29.34 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HB2   GLU   60 + HB2   GLU   60  OK   100   100   - 100
      QB    GLU   67 + QB    GLU   67  OK    97    97   - 100
      HB3   GLN   64 + HB3   GLN   64  OK    47    47   - 100
 
    Peak 138 from c13no.peaks (2.41, 2.12, 29.34 ppm; 2.92 A increased from 2.74 A):
    1 out of 5 assignments used, quality = 0.99:
    * HG2   GLU   60 + HB2   GLU   60  OK    99   100 100  99  2.3-2.9   3.0=91, 2227/3.0=39, 298/1.8=28, 2231/2236=25...(13)
      HG2   GLU   60 - HB3   GLN   64  far    0    56   0   -  5.1-6.2
      HB2   PRO   58 - HB2   GLU   60  far    0    95   0   -  6.7-7.5
      HG2   GLU   60 - QB    GLU   67  far    0    98   0   -  7.8-8.8
      HG2   GLU   81 - QB    GLU   67  far    0    93   0   -  8.5-12.5
    Violated in 1 structures by 0.00 A.
 
    Peak 139 from c13no.peaks (4.32, 4.32, 55.69 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HA    ALA   61 + HA    ALA   61  OK   100   100   - 100
      HA    GLN  107 + HA    GLN  107  OK    91    91   - 100
      HA    ARG  108 + HA    ARG  108  OK    75    75   - 100
 
    Peak 140 from c13no.peaks (1.89, 4.32, 55.69 ppm; 2.89 A):
    1 out of 7 assignments used, quality = 1.00:
    * QB    ALA   61 + HA    ALA   61  OK   100   100 100 100  2.1-2.1   2.1=100
      HB3   PRO  109 - HA    ARG  108  far    0    72   0   -  5.5-5.6
      HB3   ARG  103 - HA    GLN  107  far    0    69   0   -  7.4-9.1
      HB3   PRO  109 - HA    GLN  107  far    0    94   0   -  8.2-8.6
      HB3   ARG  103 - HA    ARG  108  far    0    49   0   -  8.9-9.7
      HG    LEU   96 - HA    ALA   61  far    0    85   0   -  9.3-11.2
      HB3   PRO  112 - HA    ALA   61  far    0    92   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 141 from c13no.peaks (4.32, 1.89, 19.36 ppm; 2.95 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    ALA   61 + QB    ALA   61  OK   100   100 100 100  2.1-2.1   2.1=100
      HB    THR   56 - QB    ALA   61  far    0    68   0   -  5.2-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 142 from c13no.peaks (1.89, 1.89, 19.36 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ALA   61 + QB    ALA   61  OK   100   100   - 100
 
    Peak 143 from c13no.peaks (3.78, 3.78, 58.45 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    LEU   62 + HA    LEU   62  OK   100   100   - 100
      HA    LEU   45 + HA    LEU   45  OK    66    66   - 100
 
    Peak 144 from c13no.peaks (1.75, 3.78, 58.45 ppm; 3.38 A):
    2 out of 4 assignments used, quality = 1.00:
    * HB2   LEU   62 + HA    LEU   62  OK   100   100 100 100  3.0-3.0   3.0=100
      HB2   LEU   45 + HA    LEU   45  OK    82    82 100 100  2.5-3.0   3.0=100
      QB    LEU   84 - HA    LEU   62  far    0   100   0   -  6.4-7.4
      HG    LEU   89 - HA    LEU   62  far    0    81   0   -  8.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 145 from c13no.peaks (1.39, 3.78, 58.45 ppm; 3.38 A):
    2 out of 4 assignments used, quality = 0.91:
      HB3   LEU   45 + HA    LEU   45  OK    82    82 100 100  2.2-2.8   3.0=100
    * HG    LEU   62 + HA    LEU   62  OK    50   100  50 100  3.1-3.7   2.1/147=63, 884/3.0=57, 4.3=50, 150/3.0=30...(16)
      QB    ALA  115 - HA    LEU   62  far    0    96   0   -  6.8-7.6
      HB3   LEU   93 - HA    LEU   62  far    0    73   0   -  9.5-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 146 from c13no.peaks (0.48, 3.78, 58.45 ppm; 4.19 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   62 + HA    LEU   62  OK   100   100 100 100  2.4-3.8   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 147 from c13no.peaks (0.29, 3.78, 58.45 ppm; 3.49 A):
    1 out of 4 assignments used, quality = 1.00:
    * QD2   LEU   62 + HA    LEU   62  OK   100   100 100 100  1.8-2.1   779=77, 888/3.0=47, 2361/2368=37, 2311/3.6=32...(22)
      HB3   ARG   44 - HA    LEU   45  far    0    79   0   -  5.4-5.6
      QD1   LEU   73 - HA    LEU   45  far    0    82   0   -  8.5-9.3
      QD1   LEU   73 - HA    LEU   62  far    0   100   0   -  8.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 148 from c13no.peaks (3.78, 1.75, 42.19 ppm; 3.58 A):
    2 out of 7 assignments used, quality = 1.00:
    * HA    LEU   62 + HB2   LEU   62  OK   100   100 100 100  3.0-3.0   3.0=100
      HA    LEU   45 + HB2   LEU   45  OK    86    86 100 100  2.5-3.0   3.0=100
      HA    GLU  113 - HB2   LEU   62  far    0    89   0   -  4.7-5.3
      HA    ARG   66 - HB2   LEU   62  far    0    85   0   -  7.5-8.0
      HD3   PRO  112 - HB2   LEU   62  far    0    71   0   -  8.5-9.6
      HA    VAL  104 - HB2   LEU  345  far    0    90   0   -  8.7-49.5
      HA    LEU   93 - HB2   LEU   62  far    0    60   0   -  9.2-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 149 from c13no.peaks (1.75, 1.75, 42.19 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   LEU   62 + HB2   LEU   62  OK   100   100   - 100
      HB2   LEU   45 + HB2   LEU   45  OK   100   100   - 100
 
    Peak 150 from c13no.peaks (1.39, 1.75, 42.19 ppm; 2.87 A):
    2 out of 3 assignments used, quality = 1.00:
      HB3   LEU   45 + HB2   LEU   45  OK   100   100 100 100  1.8-1.8   1.8=100
    * HG    LEU   62 + HB2   LEU   62  OK    98   100 100  98  2.3-2.5   3.0=90, 884/883=38, 2291/2198=19, ~147=17...(9)
      QB    ALA  115 - HB2   LEU   62  far    0    96   0   -  6.3-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 151 from c13no.peaks (0.48, 1.75, 42.19 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   62 + HB2   LEU   62  OK   100   100 100 100  2.2-2.5   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 152 from c13no.peaks (0.29, 1.75, 42.19 ppm; 3.90 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD2   LEU   62 + HB2   LEU   62  OK   100   100 100 100  3.2-3.2   3.1=100
      HB3   ARG   44 - HB2   LEU   45  far    0    98   0   -  5.0-6.0
      QD1   LEU   73 - HB2   LEU   45  far    0    99   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 153 from c13no.peaks (4.10, 4.10, 55.75 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ALA   63 + HA    ALA   63  OK   100   100   - 100
 
    Peak 154 from c13no.peaks (1.55, 4.10, 55.75 ppm; 2.89 A):
    1 out of 2 assignments used, quality = 1.00:
    * QB    ALA   63 + HA    ALA   63  OK   100   100 100 100  2.1-2.1   2.1=100
      HG3   ARG   70 - HA    ALA   63  far    0    81   0   -  9.1-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 155 from c13no.peaks (4.10, 1.55, 18.36 ppm; 2.58 A):
    1 out of 7 assignments used, quality = 1.00:
    * HA    ALA   63 + QB    ALA   63  OK   100   100 100 100  2.1-2.1   2.1=100
      HA    GLU  114 - QB    ALA  117  far    0    55   0   -  2.7-3.1
      HA    GLN   64 - QB    ALA   63  far    0    85   0   -  3.7-3.9
      HD2   PRO   58 - QB    ALA  117  far    0    59   0   -  7.6-7.9
      HA    TYR   52 - QB    ALA   63  far    0   100   0   -  8.5-9.5
      HD2   PRO   58 - QB    ALA   63  far    0    97   0   -  8.7-9.6
      HA    GLU   85 - QB    ALA   63  far    0    63   0   -  9.1-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 156 from c13no.peaks (1.55, 1.55, 18.36 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QB    ALA   63 + QB    ALA   63  OK   100   100   - 100
      QB    ALA  117 + QB    ALA  117  OK    35    35   - 100
 
    Peak 157 from c13no.peaks (4.12, 4.12, 59.24 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLN   64 + HA    GLN   64  OK   100   100   - 100
      HA    TYR   52 + HA    TYR   52  OK    53    53   - 100
 
    Peak 158 from c13no.peaks (2.28, 4.12, 59.24 ppm; 3.14 A):
    1 out of 7 assignments used, quality = 1.00:
    * HB2   GLN   64 + HA    GLN   64  OK   100   100 100 100  3.0-3.0   3.0=100
      HG3   GLU   67 - HA    GLN   64  far    0    60   0   -  4.1-4.8
      QG    GLU   54 - HA    TYR   52  far    0    53   0   -  5.8-6.5
      HB2   GLN   64 - HA    TYR   52  far    0    71   0   -  7.1-7.6
      HG2   PRO   97 - HA    TYR   52  far    0    71   0   -  7.7-9.4
      HB    VAL  119 - HA    TYR   52  far    0    62   0   -  7.9-9.2
      HG2   PRO   58 - HA    TYR   52  far    0    48   0   -  8.4-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 159 from c13no.peaks (2.73, 4.12, 59.24 ppm; 3.56 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   GLN   64 + HA    GLN   64  OK   100   100 100 100  2.7-2.8   1337=95, 3.0/1340=67, 1.8/1336=66, 907/2.9=57...(17)
      HG2   GLN   71 - HA    GLN   64  far    0    83   0   -  7.7-8.5
      HG2   GLN   64 - HA    TYR   52  far    0    71   0   -  8.3-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 160 from c13no.peaks (4.12, 2.28, 29.07 ppm; 3.71 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLN   64 + HB2   GLN   64  OK   100   100 100 100  3.0-3.0   3.0=100
      HA    ALA   63 - HB2   GLN   64  far    0    85   0   -  6.0-6.2
      HA    PHE   50 - HB2   GLN   64  far    0    81   0   -  6.5-7.1
      HA    TYR   52 - HB2   GLN   64  far    0    85   0   -  7.1-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 161 from c13no.peaks (2.28, 2.28, 29.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   GLN   64 + HB2   GLN   64  OK   100   100   - 100
 
    Peak 162 from c13no.peaks (2.73, 2.28, 29.07 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   GLN   64 + HB2   GLN   64  OK   100   100 100 100  2.9-2.9   3.0=100
      HG2   GLN   71 - HB2   GLN   64  far    0    83   0   -  9.0-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 163 from c13no.peaks (3.92, 3.92, 58.51 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   65 + HA    LEU   65  OK   100   100   - 100
 
    Peak 164 from c13no.peaks (1.95, 3.92, 58.51 ppm; 3.97 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   LEU   65 + HA    LEU   65  OK   100   100 100 100  3.0-3.0   3.0=100
      QB    ARG   46 - HA    LEU   65  far    0    78   0   -  7.1-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 165 from c13no.peaks (1.35, 3.92, 58.51 ppm; 4.03 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   LEU   65 + HA    LEU   65  OK   100   100 100 100  2.4-2.6   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 166 from c13no.peaks (0.98, 3.92, 58.51 ppm; 3.89 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU   65 + HA    LEU   65  OK   100   100 100 100  2.5-3.5   2.1/793=81, 4.3=76, 2393/3.0=54, ~936=34...(15)
      QD2   LEU   68 - HA    LEU   65  far    0    98   0   -  4.6-5.2
      QD2   LEU   87 - HA    LEU   65  far    0    76   0   -  8.4-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 167 from c13no.peaks (0.75, 3.92, 58.51 ppm; 3.98 A increased from 3.74 A):
    1 out of 6 assignments used, quality = 1.00:
    * QD1   LEU   65 + HA    LEU   65  OK   100   100 100 100  3.3-3.9   3.7=100
      QD1   LEU   87 - HA    LEU   65  far    0    93   0   -  6.4-7.9
      QD1   LEU   84 - HA    LEU   65  far    0    93   0   -  6.9-7.6
      QD2   LEU   89 - HA    LEU   65  far    0    90   0   -  9.4-10.3
      QD2   LEU   45 - HA    LEU   65  far    0    73   0   - 10.0-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 168 from c13no.peaks (0.60, 3.92, 58.51 ppm; 3.58 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD2   LEU   65 + HA    LEU   65  OK   100   100 100 100  1.8-2.8   793=100, 2.1/166=60, 937/3.0=49, 2404/2386=35...(16)
      HG2   ARG   44 - HA    LEU   65  far    0    99   0   -  9.4-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 169 from c13no.peaks (3.92, 1.95, 44.11 ppm; 4.53 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   65 + HB2   LEU   65  OK   100   100 100 100  3.0-3.0   3.0=100
      HA    LEU   89 - HB2   LEU   65  far    0    87   0   -  6.4-7.7
      HA    ALA  116 - HB2   LEU   65  far    0    99   0   -  9.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 170 from c13no.peaks (1.95, 1.95, 44.11 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   65 + HB2   LEU   65  OK   100   100   - 100
 
    Peak 171 from c13no.peaks (1.35, 1.95, 44.11 ppm; 3.56 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   LEU   65 + HB2   LEU   65  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   LEU   89 - HB2   LEU   65  far    0    90   0   -  7.8-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 172 from c13no.peaks (0.98, 1.95, 44.11 ppm; 4.14 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU   65 + HB2   LEU   65  OK   100   100 100 100  2.6-2.7   3.0=100
      QD2   LEU   68 - HB2   LEU   65  far    0    98   0   -  7.0-7.6
      QD2   LEU   87 - HB2   LEU   65  far    0    76   0   -  8.4-9.1
      QG2   VAL  119 - HB2   LEU   65  far    0    99   0   -  9.4-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 173 from c13no.peaks (0.75, 1.95, 44.11 ppm; 3.89 A):
    1 out of 4 assignments used, quality = 1.00:
    * QD1   LEU   65 + HB2   LEU   65  OK   100   100 100 100  1.9-2.0   3.1=100
      QD1   LEU   87 - HB2   LEU   65  far    0    93   0   -  6.1-7.5
      QD1   LEU   84 - HB2   LEU   65  far    0    93   0   -  6.9-7.7
      QD2   LEU   89 - HB2   LEU   65  far    0    90   0   -  7.4-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 174 from c13no.peaks (0.60, 1.95, 44.11 ppm; 4.13 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   65 + HB2   LEU   65  OK   100   100 100 100  3.0-3.1   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 175 from c13no.peaks (3.92, 1.35, 44.11 ppm; 4.28 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    LEU   65 + HB3   LEU   65  OK   100   100 100 100  2.4-2.6   3.0=100
      HA    LEU   89 - HB3   LEU   65  far    0    87   0   -  6.4-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 176 from c13no.peaks (1.95, 1.35, 44.11 ppm; 3.53 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   LEU   65 + HB3   LEU   65  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    ARG   46 - HB3   LEU   65  far    0    78   0   -  8.5-9.8
      HB2   LEU   93 - HB3   LEU   65  far    0    90   0   -  9.3-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 177 from c13no.peaks (1.35, 1.35, 44.11 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   65 + HB3   LEU   65  OK   100   100   - 100
 
    Peak 178 from c13no.peaks (0.98, 1.35, 44.11 ppm; 4.09 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU   65 + HB3   LEU   65  OK   100   100 100 100  2.2-3.0   3.0=100
      QD2   LEU   68 - HB3   LEU   65  far    0    98   0   -  6.3-7.2
      QD2   LEU   87 - HB3   LEU   65  far    0    76   0   -  7.2-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 179 from c13no.peaks (0.75, 1.35, 44.11 ppm; 3.84 A):
    1 out of 5 assignments used, quality = 1.00:
    * QD1   LEU   65 + HB3   LEU   65  OK   100   100 100 100  2.7-3.1   3.1=100
      QD1   LEU   87 - HB3   LEU   65  far    0    93   0   -  5.1-6.6
      QD1   LEU   84 - HB3   LEU   65  far    0    93   0   -  6.4-7.2
      QD2   LEU   89 - HB3   LEU   65  far    0    90   0   -  7.4-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 180 from c13no.peaks (0.60, 1.35, 44.11 ppm; 3.94 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD2   LEU   65 + HB3   LEU   65  OK   100   100 100 100  1.9-2.7   3.1=100
      HG2   ARG   44 - HB3   LEU   65  far    0    99   0   -  9.6-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 181 from c13no.peaks (3.80, 3.80, 60.81 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    ARG   66 + HA    ARG   66  OK   100   100   - 100
      HA    GLU  113 + HA    GLU  113  OK    58    58   - 100
 
    Peak 182 from c13no.peaks (1.86, 3.80, 60.81 ppm; 3.15 A):
    1 out of 5 assignments used, quality = 1.00:
    * QB    ARG   66 + HA    ARG   66  OK   100   100 100 100  2.2-2.2   2.5=100
      HB2   LYS   80 - HA    ARG   66  far    0    96   0   -  6.0-8.4
      QB    ARG   66 - HA    GLU  113  far    0    58   0   -  7.1-8.3
      HB3   PRO  109 - HA    GLU  113  far    0    34   0   -  7.1-7.2
      HG2   GLN   91 - HA    ARG   66  far    0    76   0   -  7.4-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 183 from c13no.peaks (1.59, 3.80, 60.81 ppm; 3.85 A):
    1 out of 7 assignments used, quality = 1.00:
    * QG    ARG   66 + HA    ARG   66  OK   100   100 100 100  3.3-3.4   3.3=100
      QG    ARG   66 - HA    GLU  113  far    0    58   0   -  7.7-9.0
      QB    ALA   43 - HA    ARG   66  far    0    87   0   -  8.0-8.8
      QG    ARG   74 - HA    ARG   66  far    0   100   0   -  9.0-10.1
      QG    ARG   48 - HA    ARG   66  far    0    65   0   -  9.4-12.0
      QB    ALA   95 - HA    ARG   66  far    0    81   0   -  9.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 184 from c13no.peaks (3.09, 3.80, 60.81 ppm; 5.50 A increased from 4.75 A):
    1 out of 6 assignments used, quality = 1.00:
    * HD2   ARG   66 + HA    ARG   66  OK   100   100 100 100  3.8-5.5   4.6=100
      HA    CYS   69 - HA    ARG   66  poor  15    65  23   -  5.4-6.2
      HB2   PHE   92 - HA    GLU  113  far    0    50   0   -  6.6-7.2
      HD2   ARG   66 - HA    GLU  113  far    0    58   0   -  7.6-11.4
      HB2   PHE   92 - HA    ARG   66  far    0    95   0   -  8.8-9.7
      HE2   LYS   80 - HA    ARG   66  far    0    99   0   -  9.1-11.1
    Violated in 8 structures by 0.01 A.
 
    Peak 185 from c13no.peaks (3.80, 1.86, 30.54 ppm; 3.62 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    ARG   66 + QB    ARG   66  OK   100   100 100 100  2.2-2.2   2.5=100
      HA    LEU   62 - QB    ARG   66  far    0    85   0   -  4.2-4.9
      HA    LYS   80 - QB    ARG   66  far    0    97   0   -  5.9-6.9
      HA    GLU  113 - QB    ARG   66  far    0   100   0   -  7.1-8.3
      HD3   PRO  112 - QB    ARG   66  far    0    99   0   -  7.4-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 186 from c13no.peaks (1.86, 1.86, 30.54 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ARG   66 + QB    ARG   66  OK   100   100   - 100
 
    Peak 187 from c13no.peaks (1.59, 1.86, 30.54 ppm; 3.17 A):
    1 out of 5 assignments used, quality = 1.00:
    * QG    ARG   66 + QB    ARG   66  OK   100   100 100 100  2.0-2.1   2.1=100
      QB    ALA   43 - QB    ARG   66  far    0    87   0   -  8.5-9.3
      QG    ARG   74 - QB    ARG   66  far    0   100   0   -  8.9-10.1
      QB    ALA   95 - QB    ARG   66  far    0    81   0   -  9.4-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 188 from c13no.peaks (3.09, 1.86, 30.54 ppm; 3.66 A):
    1 out of 4 assignments used, quality = 1.00:
    * HD2   ARG   66 + QB    ARG   66  OK   100   100 100 100  2.2-3.3   3.3=100
      HA    CYS   69 - QB    ARG   66  far    0    65   0   -  6.8-7.5
      HE2   LYS   80 - QB    ARG   66  far    0    99   0   -  7.7-9.2
      HB2   PHE   92 - QB    ARG   66  far    0    95   0   -  8.0-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 189 from c13no.peaks (4.21, 4.21, 59.21 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLU   67 + HA    GLU   67  OK   100   100   - 100
      HA    GLU   60 + HA    GLU   60  OK    85    85   - 100
 
    Peak 190 from c13no.peaks (2.37, 4.21, 59.21 ppm; 3.94 A increased from 3.32 A):
    2 out of 4 assignments used, quality = 1.00:
    * HG2   GLU   67 + HA    GLU   67  OK   100   100 100 100  3.6-3.8   4.0=97, 1.8/191=83, 950/3.0=64, 2477/3.6=40...(11)
      HG3   GLU   60 + HA    GLU   60  OK    70    70 100 100  3.5-3.9   4.2=84, 1.8/2227=82, ~138=46, 2239/3.0=40...(14)
      HB2   PRO   58 - HA    GLU   60  far    0    72   0   -  7.4-7.6
      HG2   GLU   67 - HA    GLU   60  far    0    91   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 191 from c13no.peaks (2.25, 4.21, 59.21 ppm; 3.60 A):
    1 out of 5 assignments used, quality = 0.98:
    * HG3   GLU   67 + HA    GLU   67  OK    98   100 100  98  3.3-3.6   4.0=74, 2468/3.0=43, 1.8/190=37, ~950=33...(9)
      HB2   GLN   64 - HA    GLU   60  far    0    49   0   -  6.4-6.7
      HG2   PRO   58 - HA    GLU   60  far    0    89   0   -  7.4-8.9
      HB2   GLN   64 - HA    GLU   67  far    0    60   0   -  7.9-8.1
      HG3   GLU  113 - HA    GLU   60  far    0    47   0   -  8.6-10.1
    Violated in 2 structures by 0.00 A.
 
    Peak 192 from c13no.peaks (4.07, 4.07, 58.02 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   68 + HA    LEU   68  OK   100   100   - 100
 
    Peak 193 from c13no.peaks (2.16, 4.07, 58.02 ppm; 3.49 A):
    2 out of 3 assignments used, quality = 1.00:
    * HB2   LEU   68 + HA    LEU   68  OK   100   100 100 100  2.5-3.0   3.0=100
      QB    GLN   71 + HA    LEU   68  OK    22    78  45  62  2.5-4.7   2.5/2488=40, 3.3/2516=36
      HB3   GLN   64 - HA    LEU   68  far    0    78   0   -  6.2-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 194 from c13no.peaks (2.04, 4.07, 58.02 ppm; 3.76 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG    LEU   68 + HA    LEU   68  OK   100   100 100 100  2.6-3.3   803=96, 2.1/809=87, 2.1/195=66, 2528/3.0=40...(12)
      QG    PRO   38 - HA    LEU   68  far    0    99   0   -  7.1-12.9
    Violated in 0 structures by 0.00 A.
 
    Peak 195 from c13no.peaks (1.05, 4.07, 58.02 ppm; 3.89 A increased from 3.66 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD1   LEU   68 + HA    LEU   68  OK   100   100 100 100  3.0-3.9   3.9=96, 2.1/809=91, 2.1/194=73, 971/3.0=57...(12)
    Violated in 3 structures by 0.00 A.
 
    Peak 196 from c13no.peaks (0.97, 4.07, 58.02 ppm; 3.25 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD2   LEU   68 + HA    LEU   68  OK   100   100 100 100  1.7-2.3   809=100, 2.1/194=52, 2.1/195=49, 2534/3.0=38...(13)
      HG    LEU   65 - HA    LEU   68  far    0    98   0   -  7.4-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 197 from c13no.peaks (4.07, 2.16, 43.23 ppm; 4.57 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   68 + HB2   LEU   68  OK   100   100 100 100  2.5-3.0   3.0=100
      HA    ALA   43 - HB2   LEU   68  far   12    83  15   -  4.1-7.9
      HA    ALA   42 - HB2   LEU   68  far    0    99   0   -  8.6-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 198 from c13no.peaks (2.16, 2.16, 43.23 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   68 + HB2   LEU   68  OK   100   100   - 100
 
    Peak 199 from c13no.peaks (2.04, 2.16, 43.23 ppm; 4.06 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG    LEU   68 + HB2   LEU   68  OK   100   100 100 100  2.5-3.0   3.0=100
      QG    PRO   38 - HB2   LEU   68  far    0    99   0   -  7.6-14.8
    Violated in 0 structures by 0.00 A.
 
    Peak 200 from c13no.peaks (1.05, 2.16, 43.23 ppm; 3.91 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD1   LEU   68 + HB2   LEU   68  OK   100   100 100 100  1.9-2.6   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 201 from c13no.peaks (0.97, 2.16, 43.23 ppm; 3.76 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD2   LEU   68 + HB2   LEU   68  OK   100   100 100 100  2.2-3.2   3.1=100
      HG    LEU   65 - HB2   LEU   68  far    0    98   0   -  4.5-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 202 from c13no.peaks (3.12, 3.12, 63.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    CYS   69 + HA    CYS   69  OK   100   100   - 100
 
    Peak 203 from c13no.peaks (2.60, 3.12, 63.60 ppm; 4.00 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB2   CYS   69 + HA    CYS   69  OK   100   100 100 100  2.3-3.0   3.0=100
      HD3   ARG   44 - HA    CYS   69  far    0    99   0   -  6.6-8.2
      HB3   PHE   50 - HA    CYS   69  far    0    95   0   -  8.5-9.3
      HG2   MET   83 - HA    CYS   69  far    0    99   0   -  9.8-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 204 from c13no.peaks (2.51, 3.12, 63.60 ppm; 3.97 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   CYS   69 + HA    CYS   69  OK   100   100 100 100  2.2-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 205 from c13no.peaks (3.12, 2.60, 26.90 ppm; 4.24 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    CYS   69 + HB2   CYS   69  OK   100   100 100 100  2.3-3.0   3.0=100
      HD2   ARG   66 - HB2   CYS   69  far    0    65   0   -  6.1-10.6
      HB2   PHE   92 - HB2   CYS   69  far    0    93   0   -  9.9-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 206 from c13no.peaks (2.60, 2.60, 26.90 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   CYS   69 + HB2   CYS   69  OK   100   100   - 100
 
    Peak 207 from c13no.peaks (2.51, 2.60, 26.90 ppm; 3.48 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   CYS   69 + HB2   CYS   69  OK   100   100 100 100  1.8-1.8   1.8=100
      HG2   PRO  112 - HB2   CYS   69  far    0    63   0   -  7.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 208 from c13no.peaks (3.12, 2.51, 26.90 ppm; 4.19 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    CYS   69 + HB3   CYS   69  OK   100   100 100 100  2.2-3.0   3.0=100
      HD2   ARG   66 - HB3   CYS   69  far    0    65   0   -  7.0-10.1
      HB2   PHE   92 - HB3   CYS   69  far    0    93   0   -  9.3-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 209 from c13no.peaks (2.60, 2.51, 26.90 ppm; 3.44 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB2   CYS   69 + HB3   CYS   69  OK   100   100 100 100  1.8-1.8   1.8=100
      HD3   ARG   44 - HB3   CYS   69  far    0    99   0   -  7.2-10.2
      HB3   PHE   50 - HB3   CYS   69  far    0    95   0   -  7.3-10.5
      HG2   MET   83 - HB3   CYS   69  far    0    99   0   -  7.8-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 210 from c13no.peaks (2.51, 2.51, 26.90 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   CYS   69 + HB3   CYS   69  OK   100   100   - 100
 
    Peak 211 from c13no.peaks (3.62, 3.62, 60.59 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   70 + HA    ARG   70  OK   100   100   - 100
 
    Peak 212 from c13no.peaks (1.98, 3.62, 60.59 ppm; 3.27 A):
    1 out of 4 assignments used, quality = 1.00:
    * QB    ARG   70 + HA    ARG   70  OK   100   100 100 100  2.2-2.3   2.5=100
      QG    PRO   75 - HA    ARG   70  far    0    99   0   -  3.4-4.4
      QB    GLU   76 - HA    ARG   70  far    0    96   0   -  7.7-8.7
      QB    GLN   82 - HA    ARG   70  far    0    83   0   -  8.7-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 213 from c13no.peaks (1.53, 3.62, 60.59 ppm; 3.67 A):
    2 out of 5 assignments used, quality = 0.98:
    * HG3   ARG   70 + HA    ARG   70  OK    97   100  98 100  3.5-3.7   3.8=91, 1.8/1195=73, 3.0/214=47, 2603/2.9=40...(12)
     ?HB3   LEU   73 + HA    ARG   70  OK    40    59  90  75  2.7-5.5   997/314=69, 2678/1188=19
      HB3   LEU   68 - HA    ARG   70  far    0    95   0   -  7.4-8.0
      HB3   ARG   78 - HA    ARG   70  far    0   100   0   -  8.2-9.1
      HB2   ARG   44 - HA    ARG   70  far    0    68   0   -  9.8-11.0
    Violated in 1 structures by 0.00 A.
 
    Peak 214 from c13no.peaks (3.23, 3.62, 60.59 ppm; 4.18 A increased from 3.72 A):
    1 out of 2 assignments used, quality = 1.00:
    * HD2   ARG   70 + HA    ARG   70  OK   100   100 100 100  4.0-4.1   3.0/1195=69, 2578=56, 2599/2.9=51, 3.0/213=50...(12)
      HA    LEU   73 - HA    ARG   70  far    0    99   0   -  5.3-5.8
    Violated in 0 structures by 0.00 A.
 
    Peak 215 from c13no.peaks (3.62, 1.98, 30.39 ppm; 3.77 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   70 + QB    ARG   70  OK   100   100 100 100  2.2-2.3   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 216 from c13no.peaks (1.98, 1.98, 30.39 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QB    ARG   70 + QB    ARG   70  OK   100   100   - 100
      HB2   GLU   53 + HB2   GLU   53  OK    86    86   - 100
 
    Peak 217 from c13no.peaks (1.53, 1.98, 30.39 ppm; 3.42 A):
    1 out of 5 assignments used, quality = 1.00:
    * HG3   ARG   70 + QB    ARG   70  OK   100   100 100 100  2.1-2.1   2.5=100
      HB3   LEU   68 - QB    ARG   70  far    0    95   0   -  5.8-6.6
      QB    ALA   63 - QB    ARG   70  far    0    81   0   -  7.3-8.0
      HB3   ARG   78 - QB    ARG   70  far    0   100   0   -  8.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 219 from c13no.peaks (3.98, 3.98, 59.02 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLN   71 + HA    GLN   71  OK   100   100   - 100
      HA    GLN   82 + HA    GLN   82  OK    33    33   - 100
 
    Peak 220 from c13no.peaks (2.14, 3.98, 59.02 ppm; 2.92 A):
    1 out of 6 assignments used, quality = 1.00:
    * QB    GLN   71 + HA    GLN   71  OK   100   100 100 100  2.2-2.5   2.5=100
      QB    GLU   85 - HA    GLN   82  far    0    45   0   -  3.7-4.1
      HG3   MET   83 - HA    GLN   82  far    0    56   0   -  6.6-7.0
      QB    GLU   67 - HA    GLN   71  far    0    85   0   -  6.6-7.3
      HB2   LEU   68 - HA    GLN   71  far    0    78   0   -  7.3-9.0
      QG    GLU   90 - HA    GLN   82  far    0    59   0   -  9.6-13.1
    Violated in 0 structures by 0.00 A.
 
    Peak 221 from c13no.peaks (2.71, 3.98, 59.02 ppm; 3.81 A increased from 3.58 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   GLN   71 + HA    GLN   71  OK   100   100 100 100  2.6-3.9   1355=100, 271/3.0=65, 1.8/1348=50, ~272=36...(8)
      HA    ARG   44 - HA    GLN   71  far    0    65   0   -  8.2-9.1
    Violated in 1 structures by 0.00 A.
 
    Peak 222 from c13no.peaks (3.98, 2.14, 28.91 ppm; 3.20 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    GLN   71 + QB    GLN   71  OK   100   100 100 100  2.2-2.5   2.5=100
      HD2   PRO   75 - QB    GLN   71  far    0    81   0   -  6.4-7.3
      QA    GLY  127 - QB    GLN  371  far    0    97   0   -  8.5-21.8
      HA    ARG   46 - QB    GLN   71  far    0   100   0   -  8.6-10.7
      HA    PHE   92 - HB3   GLN   64  far    0    80   0   -  9.3-10.3
      HA    GLN   59 - HB3   GLN   64  far    0    63   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 223 from c13no.peaks (2.14, 2.14, 28.91 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QB    GLN   71 + QB    GLN   71  OK   100   100   - 100
      HB3   GLN   64 + HB3   GLN   64  OK    91    91   - 100
 
    Peak 224 from c13no.peaks (2.71, 2.14, 28.91 ppm; 3.36 A):
    2 out of 4 assignments used, quality = 1.00:
    * HG2   GLN   71 + QB    GLN   71  OK   100   100 100 100  2.3-2.4   2.5=100
      HG2   GLN   64 + HB3   GLN   64  OK    70    70 100 100  2.7-2.8   3.0=100
      HA    ARG   44 - QB    GLN   71  far    0    65   0   -  5.8-7.7
      HG2   GLN   71 - HB3   GLN   64  far    0    91   0   -  8.5-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 225 from c13no.peaks (4.89, 4.89, 58.02 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    TRP   72 + HA    TRP   72  OK   100   100   - 100
 
    Peak 226 from c13no.peaks (3.32, 4.89, 58.02 ppm; 5.23 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   TRP   72 + HA    TRP   72  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 227 from c13no.peaks (2.76, 4.89, 58.02 ppm; 4.08 A):
    2 out of 4 assignments used, quality = 1.00:
    * HB3   TRP   72 + HA    TRP   72  OK   100   100 100 100  2.2-2.3   3.0=100
      QB    PRO   40 + HA    TRP   72  OK    33    65 100  51  2.0-3.0   220/50=29, 251/6.4=21, ~10=11
      HA    ARG   44 - HA    TRP   72  far    0    57   0   -  5.1-6.1
      HB2   ASP   37 - HA    TRP   72  far    0    60   0   -  7.2-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 228 from c13no.peaks (4.89, 3.32, 28.49 ppm; 4.53 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    TRP   72 + HB2   TRP   72  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 229 from c13no.peaks (3.32, 3.32, 28.49 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   TRP   72 + HB2   TRP   72  OK   100   100   - 100
 
    Peak 230 from c13no.peaks (2.76, 3.32, 28.49 ppm; 3.82 A):
    2 out of 4 assignments used, quality = 1.00:
    * HB3   TRP   72 + HB2   TRP   72  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    ARG   44 + HB2   TRP   72  OK    36    57  90  71  2.9-4.0   4.5/2635=31, ~2643=25, ~703=19, 1842/3.8=16...(6)
      QB    PRO   40 - HB2   TRP   72  far    0    65   0   -  4.0-5.0
      HB2   ASP   37 - HB2   TRP   72  far    0    60   0   -  9.0-13.2
    Violated in 0 structures by 0.00 A.
 
    Peak 231 from c13no.peaks (4.89, 2.76, 28.49 ppm; 4.29 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    TRP   72 + HB3   TRP   72  OK   100   100 100 100  2.2-2.3   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 232 from c13no.peaks (3.32, 2.76, 28.49 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   TRP   72 + HB3   TRP   72  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 233 from c13no.peaks (2.76, 2.76, 28.49 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   TRP   72 + HB3   TRP   72  OK   100   100   - 100
 
    Peak 234 from c13no.peaks (3.23, 3.23, 57.48 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   73 + HA    LEU   73  OK   100   100   - 100
 
    Peak 235 from c13no.peaks (1.26, 3.23, 57.48 ppm; 4.26 A):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   LEU   73 + HA    LEU   73  OK   100   100 100 100  2.3-2.5   3.0=100
     ?HB3   LEU   73 + HA    LEU   73  OK    89    92 100  97  2.3-3.0   239=46, 752/3.0=43, 1920/4.0=37, 243/1783=37...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 236 from c13no.peaks (0.79, 3.23, 57.48 ppm; 4.17 A):
    2 out of 3 assignments used, quality = 1.00:
    * HG    LEU   73 + HA    LEU   73  OK   100   100 100 100  2.4-3.6   4.3=93, 2.1/1783=89, 2.1/1922=75, 3.0/2650=65...(36)
     ?HB3   LEU   73 + HA    LEU   73  OK    84    98 100  86  2.3-3.0   754/3.0=40, 1003/3.6=38, 1931/1783=34, 241/3.0=27...(6)
      QD1   LEU   45 - HA    LEU   73  far    0    63   0   -  8.9-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 237 from c13no.peaks (0.28, 3.23, 57.48 ppm; 4.41 A):
    2 out of 3 assignments used, quality = 1.00:
    * QD1   LEU   73 + HA    LEU   73  OK   100   100 100 100  3.6-3.8   4.0=100
     ?HB3   LEU   73 + HA    LEU   73  OK    37    39 100  94  2.3-3.0   1635/2648=81, 1777/1783=24, 1002/3.6=21, 1915/4.3=19...(7)
      HB3   ARG   44 - HA    LEU   73  far    0    93   0   -  5.9-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 238 from c13no.peaks (-0.65, 3.23, 57.48 ppm; 3.45 A):
    1 out of 1 assignment used, quality = 0.89:
    * QD2   LEU   73 + HA    LEU   73  OK    89    99  90 100  2.6-3.8   1783=100, 2.1/1922=53, 1781/3.0=48, 1789/3.0=42...(31)
    Violated in 2 structures by 0.04 A.
 
    Peak 239 from c13no.peaks (3.23, 1.26, 42.84 ppm; 4.54 A):
    2 out of 4 assignments used, quality = 1.00:
    * HA    LEU   73 + HB2   LEU   73  OK   100   100 100 100  2.3-2.5   3.0=100
      HA    LEU   73 +?HB3   LEU   73  OK    90    92 100  98  2.3-3.0   235=47, 3.0/752=44, 1783/243=40, 4.0/1920=40...(8)
      HD2   ARG   70 - HB2   LEU   73  far    0    99   0   -  8.2-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 240 from c13no.peaks (1.26, 1.26, 42.84 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   73 + HB2   LEU   73  OK   100   100   - 100
 
    Peak 241 from c13no.peaks (0.79, 1.26, 42.84 ppm; 3.96 A):
    3 out of 3 assignments used, quality = 1.00:
    * HG    LEU   73 + HB2   LEU   73  OK   100   100 100 100  2.5-2.9   3.0=100
      HG    LEU   73 +?HB3   LEU   73  OK    87    92 100  95  2.7-2.9   1910=44, 2.1/1920=44, 2.1/243=39, 1936/752=33...(8)
     ?HB3   LEU   73 + HB2   LEU   73  OK    81    98 100  83  1.8-1.8   236/3.0=37, 754/3.8=34, 1931/3.1=33, 1003/4.6=28...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 242 from c13no.peaks (0.28, 1.26, 42.84 ppm; 4.03 A):
    3 out of 5 assignments used, quality = 1.00:
    * QD1   LEU   73 + HB2   LEU   73  OK   100   100 100 100  2.0-3.0   3.1=100
      QD1   LEU   73 +?HB3   LEU   73  OK    88    92 100  96  2.0-2.3   1920=46, 2.1/1910=41, 2.1/243=40, 1928/752=38...(8)
     ?HB3   LEU   73 + HB2   LEU   73  OK    32    39 100  80  1.8-1.8   1635/1902=40, 1777/3.1=23, 237/3.0=21, 1915/3.0=20...(7)
      HB3   ARG   44 - HB2   LEU   73  far    0    93   0   -  6.9-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 243 from c13no.peaks (-0.65, 1.26, 42.84 ppm; 4.33 A):
    2 out of 2 assignments used, quality = 1.00:
    * QD2   LEU   73 + HB2   LEU   73  OK    99    99 100 100  2.0-2.3   3.1=100
      QD2   LEU   73 +?HB3   LEU   73  OK    85    89 100  95  1.9-3.0   2.1/1920=45, 2.1/1910=43, 1783/235=39, 1789/752=37...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 244 from c13no.peaks (4.35, 4.35, 64.12 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   75 + HA    PRO   75  OK   100   100   - 100
 
    Peak 245 from c13no.peaks (2.09, 4.35, 64.12 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 1.00:
    * QB    PRO   75 + HA    PRO   75  OK   100   100 100 100  2.2-2.2   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 246 from c13no.peaks (1.99, 4.35, 64.12 ppm; 4.09 A):
    1 out of 4 assignments used, quality = 1.00:
    * QG    PRO   75 + HA    PRO   75  OK   100   100 100 100  3.5-3.5   3.5=100
      QB    GLU   76 - HA    PRO   75  far    0   100   0   -  4.5-5.0
      QB    ARG   70 - HA    PRO   75  far    0    99   0   -  6.0-7.3
      QB    GLN   82 - HA    PRO   75  far    0    96   0   -  6.4-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 247 from c13no.peaks (4.35, 2.09, 32.40 ppm; 4.06 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   75 + QB    PRO   75  OK   100   100 100 100  2.2-2.2   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 248 from c13no.peaks (2.09, 2.09, 32.40 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    PRO   75 + QB    PRO   75  OK   100   100   - 100
 
    Peak 249 from c13no.peaks (1.99, 2.09, 32.40 ppm; 2.47 A):
    1 out of 5 assignments used, quality = 1.00:
    * QG    PRO   75 + QB    PRO   75  OK   100   100 100 100  2.0-2.0   2.0=100
      QB    ARG   70 - QB    PRO   75  far    0    99   0   -  4.4-5.7
      QB    GLN   82 - QB    PRO   75  far    0    96   0   -  4.8-5.7
      QB    GLU   76 - QB    PRO   75  far    0   100   0   -  5.2-5.4
      HB2   GLU   81 - QB    PRO   75  far    0    65   0   -  7.1-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 250 from c13no.peaks (4.19, 4.19, 58.83 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   76 + HA    GLU   76  OK   100   100   - 100
 
    Peak 252 from c13no.peaks (1.99, 4.19, 58.83 ppm; 2.84 A):
    1 out of 4 assignments used, quality = 1.00:
    * QB    GLU   76 + HA    GLU   76  OK   100   100 100 100  2.2-2.3   2.5=100
      QG    PRO   75 - HA    GLU   76  far    0   100   0   -  4.6-4.7
      QB    ARG   70 - HA    GLU   76  far    0    96   0   -  8.1-9.6
      QB    GLN   82 - HA    GLU   76  far    0    99   0   -  9.3-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 258 from c13no.peaks (4.19, 1.99, 28.30 ppm; 3.51 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   76 + QB    GLU   76  OK   100   100 100 100  2.2-2.3   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 260 from c13no.peaks (1.99, 1.99, 28.30 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLU   76 + QB    GLU   76  OK   100   100   - 100
 
    Peak 262 from c13no.peaks (4.42, 4.42, 62.23 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    VAL   77 + HA    VAL   77  OK   100   100   - 100
 
    Peak 263 from c13no.peaks (2.19, 4.42, 62.23 ppm; 3.13 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB    VAL   77 + HA    VAL   77  OK   100   100 100 100  2.5-2.7   3.0=100
      HB2   MET   83 - HA    VAL   77  far    0    60   0   -  8.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 264 from c13no.peaks (0.90, 4.42, 62.23 ppm; 3.02 A):
    1 out of 2 assignments used, quality = 1.00:
    * QG1   VAL   77 + HA    VAL   77  OK   100   100 100 100  2.1-2.3   672=100, 2763/3.0=34, ~1737=20, ~1016=19...(9)
      QG2   VAL   77 - HA    VAL   77  far    0    89   0   -  3.1-3.2
    Violated in 0 structures by 0.00 A.
 
    Peak 265 from c13no.peaks (0.88, 4.42, 62.23 ppm; 3.02 A):
    1 out of 2 assignments used, quality = 0.86:
      QG1   VAL   77 + HA    VAL   77  OK    86    89 100  97  2.1-2.3   672=89, 2763/3.0=30, ~1737=20, ~1016=19...(9)
    ! QG2   VAL   77 - HA    VAL   77  far    0   100   0   -  3.1-3.2
    Violated in 0 structures by 0.00 A.
 
    Peak 266 from c13no.peaks (4.42, 2.19, 34.56 ppm; 3.15 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    VAL   77 + HB    VAL   77  OK   100   100 100 100  2.5-2.7   3.0=100
      HA    SER   79 - HB    VAL   77  far    0    83   0   -  8.2-8.7
      HB2   SER   79 - HB    VAL   77  far    0    83   0   -  8.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 267 from c13no.peaks (2.19, 2.19, 34.56 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB    VAL   77 + HB    VAL   77  OK   100   100   - 100
 
    Peak 268 from c13no.peaks (0.90, 2.19, 34.56 ppm; 2.67 A):
    2 out of 3 assignments used, quality = 1.00:
    * QG1   VAL   77 + HB    VAL   77  OK   100   100 100 100  2.1-2.1   2.1=100
      QG2   VAL   77 + HB    VAL   77  OK    89    89 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 269 from c13no.peaks (0.88, 2.19, 34.56 ppm; 2.67 A):
    2 out of 3 assignments used, quality = 1.00:
    * QG2   VAL   77 + HB    VAL   77  OK   100   100 100 100  2.1-2.1   2.1=100
      QG1   VAL   77 + HB    VAL   77  OK    89    89 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 270 from c13no.peaks (4.63, 4.63, 56.61 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   78 + HA    ARG   78  OK   100   100   - 100
 
    Peak 271 from c13no.peaks (1.70, 4.63, 56.61 ppm; 3.94 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   ARG   78 + HA    ARG   78  OK   100   100 100 100  2.3-2.5   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 272 from c13no.peaks (1.77, 4.63, 56.61 ppm; 3.56 A):
    1 out of 7 assignments used, quality = 0.99:
    * HG2   ARG   78 + HA    ARG   78  OK    99   100 100  99  2.6-3.3   4.2=62, 1.8/1209=58, 2829/3.0=41, 3.0/273=35...(14)
      QE    MET   83 - HA    ARG   78  far    0   100   0   -  4.4-5.4
      QD    LYS   80 - HA    ARG   78  far    0    65   0   -  7.5-8.9
      QB    LEU   84 - HA    ARG   78  far    0    95   0   -  9.7-10.1
      HB2   LEU   86 - HA    ARG   78  far    0   100   0   -  9.7-12.2
      HB3   ARG   74 - HA    ARG   78  far    0    60   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 273 from c13no.peaks (3.06, 4.63, 56.61 ppm; 4.84 A):
    1 out of 2 assignments used, quality = 1.00:
    * HD2   ARG   78 + HA    ARG   78  OK   100   100 100 100  4.2-4.7   4.9=94, 3.0/272=87, 3.0/1209=78, 1020/3.0=66...(11)
      HE2   LYS   80 - HA    ARG   78  far    0    87   0   -  6.5-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 274 from c13no.peaks (2.77, 4.63, 56.61 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   ARG   78 + HA    ARG   78  OK   100   100 100 100  4.1-4.6   4.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 275 from c13no.peaks (4.63, 1.70, 32.61 ppm; 5.13 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   78 + HB2   ARG   78  OK   100   100 100 100  2.3-2.5   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 276 from c13no.peaks (1.70, 1.70, 32.61 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   ARG   78 + HB2   ARG   78  OK   100   100   - 100
 
    Peak 277 from c13no.peaks (1.77, 1.70, 32.61 ppm; 3.95 A):
    2 out of 6 assignments used, quality = 1.00:
    * HG2   ARG   78 + HB2   ARG   78  OK   100   100 100 100  2.3-3.0   3.0=100
      QE    MET   83 + HB2   ARG   78  OK    39   100  40  98  3.4-4.8   1645/1.8=61, 1642/3.5=46, 3.3/2780=37, ~2946=33...(11)
      HB2   LEU   86 - HB2   ARG   78  far    0   100   0   -  7.2-9.9
      QD    LYS   80 - HB2   ARG   78  far    0    65   0   -  7.4-9.0
      QB    LEU   84 - HB2   ARG   78  far    0    95   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 278 from c13no.peaks (3.06, 1.70, 32.61 ppm; 5.45 A):
    1 out of 2 assignments used, quality = 1.00:
    * HD2   ARG   78 + HB2   ARG   78  OK   100   100 100 100  2.2-3.0   3.5=100
      HE2   LYS   80 - HB2   ARG   78  far    0    87   0   -  7.1-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 279 from c13no.peaks (2.77, 1.70, 32.61 ppm; 5.35 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   ARG   78 + HB2   ARG   78  OK   100   100 100 100  2.5-2.8   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 280 from c13no.peaks (4.45, 4.45, 56.67 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    SER   79 + HA    SER   79  OK   100   100   - 100
 
    Peak 281 from c13no.peaks (3.79, 3.79, 61.68 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LYS   80 + HA    LYS   80  OK   100   100   - 100
 
    Peak 282 from c13no.peaks (1.87, 3.79, 61.68 ppm; 3.66 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   LYS   80 + HA    LYS   80  OK   100   100 100 100  2.3-2.5   3.0=100
      QB    ARG   66 - HA    LYS   80  far    0    96   0   -  5.9-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 283 from c13no.peaks (1.62, 3.79, 61.68 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 0.99:
    * HG2   LYS   80 + HA    LYS   80  OK    99   100 100  99  3.2-3.6   3.9=87, 2.5/741=51, 3.9/285=34, 2863/731=30...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 284 from c13no.peaks (1.74, 3.79, 61.68 ppm; 4.39 A increased from 3.70 A):
    2 out of 6 assignments used, quality = 1.00:
    * QD    LYS   80 + HA    LYS   80  OK   100   100 100 100  3.8-4.4   4.4=100
      QB    LEU   84 + HA    LYS   80  OK    92    93 100  98  3.9-4.4   2.3/2861=71, 3.3/2904=47, 3014/2903=36, ~2860=36...(10)
      HG2   ARG   70 - HA    LYS   80  far    0   100   0   -  5.0-6.0
      HB2   LEU   86 - HA    LYS   80  far    0    76   0   -  7.4-10.1
      HG2   ARG   78 - HA    LYS   80  far    0    65   0   -  8.0-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 285 from c13no.peaks (3.08, 3.79, 61.68 ppm; 4.73 A):
    1 out of 3 assignments used, quality = 1.00:
    * HE2   LYS   80 + HA    LYS   80  OK   100   100 100 100  3.4-4.7   727=100, 2.5/741=78, 2868/3.0=69, 2871/3.0=69...(16)
      HD2   ARG   66 - HA    LYS   80  far    0    99   0   -  6.2-10.3
      HD2   ARG   78 - HA    LYS   80  far    0    87   0   -  6.9-7.6
    Violated in 1 structures by 0.00 A.
 
    Peak 286 from c13no.peaks (3.79, 1.87, 33.50 ppm; 4.30 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LYS   80 + HB2   LYS   80  OK   100   100 100 100  2.3-2.5   3.0=100
      HA    LEU   84 - HB2   LYS   80  far    0    65   0   -  5.6-7.8
      HA    ARG   66 - HB2   LYS   80  far    0    97   0   -  6.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 287 from c13no.peaks (1.87, 1.87, 33.50 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LYS   80 + HB2   LYS   80  OK   100   100   - 100
 
    Peak 288 from c13no.peaks (1.62, 1.87, 33.50 ppm; 3.84 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   LYS   80 + HB2   LYS   80  OK   100   100 100 100  2.2-3.0   3.0=100
      QB    ALA   43 - HB2   LYS   80  far    0    95   0   -  9.9-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 289 from c13no.peaks (1.74, 1.87, 33.50 ppm; 3.17 A):
    1 out of 6 assignments used, quality = 1.00:
    * QD    LYS   80 + HB2   LYS   80  OK   100   100 100 100  1.9-3.1   3.3=90, 2.5/2868=32, 741/3.0=32, 2.5/2864=28...(15)
      HG2   ARG   70 - HB2   LYS   80  far    0   100   0   -  3.5-5.5
      QB    LEU   84 - HB2   LYS   80  far    0    93   0   -  3.8-5.8
      HB2   LEU   86 - HB2   LYS   80  far    0    76   0   -  9.1-12.4
      HG2   ARG   78 - HB2   LYS   80  far    0    65   0   -  9.5-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 290 from c13no.peaks (3.08, 1.87, 33.50 ppm; 5.28 A):
    1 out of 3 assignments used, quality = 1.00:
    * HE2   LYS   80 + HB2   LYS   80  OK   100   100 100 100  2.1-4.6   4.8=100
      HD2   ARG   66 - HB2   LYS   80  far    0    99   0   -  5.6-9.6
      HD2   ARG   78 - HB2   LYS   80  far    0    87   0   -  8.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 291 from c13no.peaks (3.83, 3.83, 61.06 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   81 + HA    GLU   81  OK   100   100   - 100
 
    Peak 292 from c13no.peaks (2.01, 3.83, 61.06 ppm; 3.29 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB2   GLU   81 + HA    GLU   81  OK   100   100 100 100  2.3-2.5   3.0=100
      QB    GLN   82 - HA    GLU   81  far    0    92   0   -  5.1-5.4
      QG    PRO   75 - HA    GLU   81  far    0    65   0   -  5.9-6.9
      HB2   GLU  113 - HA    GLU   81  far    0   100   0   -  7.4-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 293 from c13no.peaks (1.94, 3.83, 61.06 ppm; 3.15 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   GLU   81 + HA    GLU   81  OK   100   100 100 100  2.5-3.0   3.0=100
      HB2   LEU   65 - HA    GLU   81  far    0    99   0   -  8.3-9.8
      HB3   GLU  113 - HA    GLU   81  far    0    81   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 294 from c13no.peaks (2.42, 3.83, 61.06 ppm; 3.97 A increased from 3.73 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   GLU   81 + HA    GLU   81  OK   100   100 100 100  2.5-3.9   4.0=98, 1.8/1375=78, 1052/3.0=64, ~1051=41...(15)
      HG2   GLU   85 - HA    GLU   81  far    0    65   0   -  4.4-4.7
      QG    GLN   82 - HA    GLU   81  far    0    63   0   -  4.9-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 295 from c13no.peaks (3.83, 2.01, 29.28 ppm; 3.39 A):
    1 out of 7 assignments used, quality = 1.00:
    * HA    GLU   81 + HB2   GLU   81  OK   100   100 100 100  2.3-2.5   3.0=100
      HD3   PRO  112 - HB2   GLU  113  far    0    37   0   -  5.5-5.9
      HD3   PRO   58 - HB3   GLU   60  far    0    81   0   -  5.6-6.5
      HA    GLU   54 - HB3   GLU   60  far    0    97   0   -  6.7-8.4
      HD3   PRO  112 - HB2   GLU   81  far    0    65   0   -  7.1-9.4
      HA    GLU   81 - HB2   GLU  113  far    0    67   0   -  7.4-9.0
      HA3   GLY  110 - HB2   GLU  113  far    0    57   0   -  8.9-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 296 from c13no.peaks (2.01, 2.01, 29.28 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HB2   GLU   81 + HB2   GLU   81  OK   100   100   - 100
      HB3   GLU   60 + HB3   GLU   60  OK    94    94   - 100
      HB2   GLU  113 + HB2   GLU  113  OK    66    66   - 100
 
    Peak 297 from c13no.peaks (1.94, 2.01, 29.28 ppm; 2.40 A):
    2 out of 9 assignments used, quality = 1.00:
    * HB3   GLU   81 + HB2   GLU   81  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   GLU  113 + HB2   GLU  113  OK    47    47 100 100  1.8-1.8   1.8=100
      HB3   GLU   81 - HB2   GLU  113  far    0    67   0   -  6.5-9.5
      HB3   GLU  113 - HB2   GLU   81  far    0    81   0   -  7.5-9.6
      HG    LEU  118 - HB2   GLU  113  far    0    66   0   -  8.8-9.4
      HB2   LEU   65 - HB2   GLU  113  far    0    64   0   -  9.3-10.6
      HB2   LEU   65 - HB2   GLU   81  far    0    99   0   -  9.5-11.6
      HB2   LEU   65 - HB3   GLU   60  far    0    95   0   -  9.5-10.3
      HB2   LEU   93 - HB2   GLU  113  far    0    63   0   -  9.7-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 298 from c13no.peaks (2.42, 2.01, 29.28 ppm; 3.00 A increased from 2.82 A):
    2 out of 11 assignments used, quality = 1.00:
    * HG2   GLU   81 + HB2   GLU   81  OK   100   100 100 100  2.2-3.0   3.0=99, 2906/3.0=34, 1052/2921=29, ~1375=20...(9)
      HG2   GLU   60 + HB3   GLU   60  OK    92    92 100 100  2.6-3.0   3.0=99, 138/1.8=65, 2227/3.0=40, 2231/1767=24...(14)
      QG    GLN   82 - HB2   GLU   81  far    0    63   0   -  4.3-7.4
      HG2   GLU  114 - HB2   GLU  113  far    0    37   0   -  4.9-5.5
      HG2   GLU   85 - HB2   GLU   81  far    0    65   0   -  5.0-6.3
      HG2   GLU   85 - HB2   GLU  113  far    0    37   0   -  6.5-9.2
      HB2   PRO   58 - HB3   GLU   60  far    0    68   0   -  7.0-8.0
      HG2   GLU   81 - HB2   GLU  113  far    0    67   0   -  7.4-10.2
      HB2   PRO   58 - HB2   GLU  113  far    0    42   0   -  8.7-9.1
      QG    GLN   82 - HB2   GLU  113  far    0    35   0   -  9.5-12.0
      HG2   GLU  114 - HB2   GLU   81  far    0    65   0   -  9.9-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 299 from c13no.peaks (3.83, 1.94, 29.28 ppm; 3.48 A):
    1 out of 8 assignments used, quality = 1.00:
    * HA    GLU   81 + HB3   GLU   81  OK   100   100 100 100  2.5-3.0   3.0=100
      QA    GLY  128 - HB2   ARG  374  far    0    85   0   -  5.6-32.2
      HD2   PRO   40 - HB2   ARG   74  far    0    79   0   -  6.8-9.6
      HD3   PRO  112 - HB3   GLU  113  far    0    25   0   -  7.1-7.4
      HD3   PRO  112 - HB3   GLU   81  far    0    65   0   -  7.7-10.0
      HA    GLU   81 - HB3   GLU  113  far    0    47   0   -  8.9-10.1
      HD2   PRO  126 - HB2   ARG  374  far    0    80   0   -  9.6-52.2
      HA3   GLY  110 - HB3   GLU  113  far    0    40   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 300 from c13no.peaks (2.01, 1.94, 29.28 ppm; 2.40 A):
    2 out of 10 assignments used, quality = 1.00:
    * HB2   GLU   81 + HB3   GLU   81  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   GLU  113 + HB3   GLU  113  OK    47    47 100 100  1.8-1.8   1.8=100
      QB    GLU   76 - HB2   ARG   74  far    0    59   0   -  3.6-4.3
      QB    GLN   82 - HB3   GLU   81  far    0    92   0   -  3.9-5.4
      QG    PRO   75 - HB2   ARG   74  far    0    50   0   -  5.8-6.0
      HB2   GLU  113 - HB3   GLU   81  far    0   100   0   -  6.5-9.5
      QG    PRO   75 - HB3   GLU   81  far    0    65   0   -  6.8-8.5
      HB2   GLU   81 - HB3   GLU  113  far    0    47   0   -  7.5-9.6
      HB2   PRO  109 - HB3   GLU  113  far    0    30   0   -  7.8-8.3
      HG    LEU   93 - HB3   GLU  113  far    0    37   0   -  9.6-13.2
    Violated in 0 structures by 0.00 A.
 
    Peak 301 from c13no.peaks (1.94, 1.94, 29.28 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HB3   GLU   81 + HB3   GLU   81  OK   100   100   - 100
      HB2   ARG   74 + HB2   ARG   74  OK    69    69   - 100
      HB3   GLU  113 + HB3   GLU  113  OK    32    32   - 100
 
    Peak 302 from c13no.peaks (2.42, 1.94, 29.28 ppm; 3.12 A):
    1 out of 9 assignments used, quality = 1.00:
    * HG2   GLU   81 + HB3   GLU   81  OK   100   100 100 100  2.2-3.0   3.0=100
      QG    GLN   82 - HB3   GLU   81  far    2    63   3   -  3.1-6.4
      HG2   GLU   76 - HB2   ARG   74  far    0    43   0   -  3.9-6.7
      HG2   GLU   85 - HB3   GLU   81  far    0    65   0   -  5.0-5.9
      HG2   GLU  114 - HB3   GLU  113  far    0    25   0   -  5.4-6.1
      HB2   PRO   58 - HB3   GLU  113  far    0    28   0   -  7.8-8.2
      HG2   GLU   85 - HB3   GLU  113  far    0    25   0   -  8.0-10.8
      HG2   GLU   81 - HB3   GLU  113  far    0    47   0   -  8.3-11.2
      QG    GLN   82 - HB2   ARG   74  far    0    48   0   - 10.0-12.7
    Violated in 0 structures by 0.00 A.
 
    Peak 303 from c13no.peaks (3.95, 3.95, 58.89 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HA    GLN   82 + HA    GLN   82  OK   100   100   - 100
      HA    LEU   89 + HA    LEU   89  OK    67    67   - 100
      HA    GLN   71 + HA    GLN   71  OK    33    33   - 100
 
    Peak 304 from c13no.peaks (2.00, 3.95, 58.89 ppm; 3.46 A):
    1 out of 12 assignments used, quality = 1.00:
    * QB    GLN   82 + HA    GLN   82  OK   100   100 100 100  2.2-2.4   2.5=100
      HG    LEU   93 - HA    LEU   89  far    0    82   0   -  4.0-7.5
      QB    ARG   70 - HA    GLN   71  far    0    43   0   -  4.2-4.4
      HB2   GLU   81 - HA    GLN   82  far    0    92   0   -  4.5-5.7
      QG    PRO   75 - HA    GLN   71  far    0    53   0   -  6.3-7.0
      HB2   GLU  113 - HA    LEU   89  far    0    66   0   -  7.4-8.0
      QB    GLU   76 - HA    GLN   71  far    0    56   0   -  7.8-8.8
      QG    PRO   75 - HA    GLN   82  far    0    96   0   -  7.9-8.8
      HB2   PRO  109 - HA    LEU   89  far    0    79   0   -  8.3-8.9
      HB2   GLU  113 - HA    GLN   82  far    0    87   0   -  8.8-10.2
      QB    ARG   70 - HA    GLN   82  far    0    83   0   -  9.2-10.4
      HB2   GLU   81 - HA    LEU   89  far    0    71   0   -  9.9-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 305 from c13no.peaks (2.44, 3.95, 58.89 ppm; 3.18 A):
    2 out of 6 assignments used, quality = 0.91:
    * QG    GLN   82 + HA    GLN   82  OK    86   100  95  91  2.3-3.2   3.3=87, 1056/2.9=30, ~1354=5
      HG3   GLN   71 + HA    GLN   71  OK    36    59  65  93  2.3-3.8   3.9=53, 272/3.0=39, 1.8/1355=36, ~271=26...(7)
      HG2   GLU   81 - HA    GLN   82  far    0    63   0   -  3.9-6.7
      QB    GLU   90 - HA    LEU   89  far    0    49   0   -  5.2-5.5
      HG2   GLU  113 - HA    LEU   89  far    0    62   0   -  7.1-8.0
      HG2   GLU  113 - HA    GLN   82  far    0    83   0   -  8.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 306 from c13no.peaks (3.95, 2.00, 29.65 ppm; 4.42 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLN   82 + QB    GLN   82  OK   100   100 100 100  2.2-2.4   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 307 from c13no.peaks (2.00, 2.00, 29.65 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLN   82 + QB    GLN   82  OK   100   100   - 100
 
    Peak 308 from c13no.peaks (2.44, 2.00, 29.65 ppm; 3.33 A):
    1 out of 3 assignments used, quality = 1.00:
    * QG    GLN   82 + QB    GLN   82  OK   100   100 100 100  2.0-2.0   2.1=100
      HG2   GLU   81 - QB    GLN   82  far    6    63  10   -  3.3-7.0
      HG2   GLU  113 - QB    GLN   82  far    0    83   0   -  9.6-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 309 from c13no.peaks (3.66, 3.66, 60.59 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    MET   83 + HA    MET   83  OK   100   100   - 100
 
    Peak 310 from c13no.peaks (2.22, 3.66, 60.59 ppm; 3.72 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   MET   83 + HA    MET   83  OK   100   100 100 100  2.8-2.9   3.0=100
      HG3   GLU   81 - HA    MET   83  far    0   100   0   -  7.2-9.1
      HB    VAL   77 - HA    MET   83  far    0    60   0   -  9.6-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 311 from c13no.peaks (2.60, 3.66, 60.59 ppm; 3.87 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   MET   83 + HA    MET   83  OK   100   100 100 100  2.4-2.9   4.1=85, 1.8/2971=82, 1068/2.9=63, 3.3/1640=48...(11)
      HB2   CYS   69 - HA    MET   83  far    0    99   0   -  7.0-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 312 from c13no.peaks (3.66, 2.22, 33.87 ppm; 4.21 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    MET   83 + HB2   MET   83  OK   100   100 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 313 from c13no.peaks (2.22, 2.22, 33.87 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   MET   83 + HB2   MET   83  OK   100   100   - 100
 
    Peak 314 from c13no.peaks (2.60, 2.22, 33.87 ppm; 4.31 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   MET   83 + HB2   MET   83  OK   100   100 100 100  2.3-3.0   3.0=100
      HB2   CYS   69 - HB2   MET   83  far    0    99   0   -  6.1-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 315 from c13no.peaks (3.76, 3.76, 59.70 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   84 + HA    LEU   84  OK   100   100   - 100
 
    Peak 316 from c13no.peaks (1.76, 3.76, 59.70 ppm; 3.14 A):
    1 out of 7 assignments used, quality = 1.00:
    * QB    LEU   84 + HA    LEU   84  OK   100   100 100 100  2.3-2.5   2.5=100
      HB2   LEU   86 - HA    LEU   84  far    0    98   0   -  4.4-6.3
      QE    MET   83 - HA    LEU   84  far    0    87   0   -  4.5-4.9
      HG2   ARG   70 - HA    LEU   84  far    0    97   0   -  6.8-7.8
      QD    LYS   80 - HA    LEU   84  far    0    93   0   -  7.4-8.7
      HG    LEU   89 - HA    LEU   84  far    0    73   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 317 from c13no.peaks (1.82, 3.76, 59.70 ppm; 3.71 A increased from 3.30 A):
    1 out of 6 assignments used, quality = 1.00:
    * HG    LEU   84 + HA    LEU   84  OK   100   100 100 100  2.8-3.7   3.7=100
      HG    LEU   87 - HA    LEU   84  far    0    97   0   -  4.2-5.1
      HG    LEU   86 - HA    LEU   84  far    0    95   0   -  5.0-7.6
      HG3   PRO  112 - HA    LEU   84  far    0   100   0   -  7.5-8.7
      HG2   GLN   91 - HA    LEU   84  far    0    85   0   -  8.7-10.1
      HB3   ARG   74 - HA    LEU   84  far    0    81   0   -  9.6-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 318 from c13no.peaks (0.74, 3.76, 59.70 ppm; 3.09 A):
    2 out of 5 assignments used, quality = 1.00:
    * QD1   LEU   84 + HA    LEU   84  OK    98   100 100  98  1.8-2.0   816=64, 1080/3.0=45, ~321=28, 3024/3.6=27...(16)
      QD1   LEU   87 + HA    LEU   84  OK    98   100 100  98  1.8-2.4   3123=76, 3115/2940=29, 3.1/3131=28, 2.1/3128=26...(15)
      QD1   LEU   65 - HA    LEU   84  far    0    93   0   -  7.2-8.5
      QD2   LEU   89 - HA    LEU   84  far    0   100   0   -  8.6-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 319 from c13no.peaks (3.76, 1.76, 41.15 ppm; 3.26 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   84 + QB    LEU   84  OK   100   100 100 100  2.3-2.5   2.5=100
      HA    LYS   80 - QB    LEU   84  far    0    65   0   -  3.9-4.4
      HA    LEU   62 - QB    LEU   84  far    0    87   0   -  6.4-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 320 from c13no.peaks (1.76, 1.76, 41.15 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    LEU   84 + QB    LEU   84  OK   100   100   - 100
 
    Peak 321 from c13no.peaks (1.82, 1.76, 41.15 ppm; 2.43 A):
    1 out of 6 assignments used, quality = 0.96:
    * HG    LEU   84 + QB    LEU   84  OK    96   100 100  96  2.1-2.3   2.5=88, 3022/1079=20, 2993/2939=11, 3021/4.0=10...(10)
      HG3   PRO  112 - QB    LEU   84  far    0   100   0   -  5.4-6.4
      HG    LEU   86 - QB    LEU   84  far    0    95   0   -  5.5-8.2
      HG    LEU   87 - QB    LEU   84  far    0    97   0   -  5.8-6.7
      HG2   GLN   91 - QB    LEU   84  far    0    85   0   -  8.1-9.2
      HB3   ARG   74 - QB    LEU   84  far    0    81   0   -  9.2-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 322 from c13no.peaks (0.74, 1.76, 41.15 ppm; 2.95 A):
    1 out of 5 assignments used, quality = 1.00:
    * QD1   LEU   84 + QB    LEU   84  OK   100   100 100 100  2.3-2.6   2.3=100
      QD1   LEU   87 - QB    LEU   84  far    0   100   0   -  3.5-4.1
      QD1   LEU   65 - QB    LEU   84  far    0    93   0   -  5.7-7.0
      QD2   LEU   89 - QB    LEU   84  far    0   100   0   -  7.5-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 323 from c13no.peaks (4.07, 4.07, 59.70 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   85 + HA    GLU   85  OK   100   100   - 100
 
    Peak 324 from c13no.peaks (2.12, 4.07, 59.70 ppm; 3.33 A):
    1 out of 7 assignments used, quality = 1.00:
    * QB    GLU   85 + HA    GLU   85  OK   100   100 100 100  2.2-2.2   2.5=100
      HB2   PRO  112 - HA    GLU   85  far    0    71   0   -  3.9-4.7
      QG    GLU   90 - HA    GLU   85  far    0    89   0   -  6.3-9.3
      QB    GLU  114 - HA    GLU   85  far    0    98   0   -  8.2-9.2
      HG3   MET   83 - HA    GLU   85  far    0    65   0   -  8.4-9.0
      HG2   PRO  109 - HA    GLU   85  far    0    89   0   -  9.6-11.4
      QB    GLU   67 - HA    GLU   85  far    0   100   0   -  9.9-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 325 from c13no.peaks (2.26, 4.07, 59.70 ppm; 3.68 A increased from 3.27 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG3   GLU   85 + HA    GLU   85  OK   100   100 100 100  3.4-3.7   3.7=99, 3037/3.0=53, ~1085=38, ~3040=35...(7)
      HB2   LEU   89 - HA    GLU   85  far    0    99   0   -  4.3-5.5
      HG3   GLU  114 - HA    GLU   85  far    0    97   0   -  8.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 326 from c13no.peaks (2.39, 4.07, 59.70 ppm; 3.90 A increased from 3.29 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   GLU   85 + HA    GLU   85  OK   100   100 100 100  3.8-3.9   3.7=100
      HG2   GLU   81 - HA    GLU   85  far    0    65   0   -  6.8-8.8
      HG2   GLU  114 - HA    GLU   85  far    0   100   0   -  9.2-10.3
    Violated in 1 structures by 0.00 A.
 
    Peak 331 from c13no.peaks (4.07, 2.12, 30.55 ppm; 3.79 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    GLU   85 + QB    GLU   85  OK   100   100 100 100  2.2-2.2   2.5=100
      HA    ALA   63 - QB    GLU   85  far    0    63   0   -  8.6-10.3
      HA    GLU  114 - QB    GLU   85  far    0    93   0   -  8.7-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 332 from c13no.peaks (2.12, 2.12, 30.55 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLU   85 + QB    GLU   85  OK   100   100   - 100
 
    Peak 334 from c13no.peaks (2.39, 2.12, 30.55 ppm; 3.45 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   GLU   85 + QB    GLU   85  OK   100   100 100 100  2.2-2.3   2.5=100
      HG2   GLU   81 - QB    GLU   85  far    0    65   0   -  5.1-6.5
      HG2   GLU  114 - QB    GLU   85  far    0   100   0   -  7.3-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 335 from c13no.peaks (4.19, 4.19, 58.51 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    LEU   86 + HA    LEU   86  OK   100   100   - 100
      HA    ARG  103 + HA    ARG  103  OK    66    66   - 100
 
    Peak 336 from c13no.peaks (1.76, 4.19, 58.51 ppm; 3.19 A):
    2 out of 8 assignments used, quality = 1.00:
    * HB2   LEU   86 + HA    LEU   86  OK   100   100 100 100  2.4-2.9   2.9=100
      HG3   ARG  103 + HA    ARG  103  OK    48    49 100  98  2.4-3.3   3544=63, 2.5/3552=42, 3562/3.0=32, ~448=29...(14)
      QB    LEU   84 - HA    LEU   86  far    0    98   0   -  6.6-6.8
      QE    MET   83 - HA    LEU   86  far    0    98   0   -  7.9-8.4
      HB2   ARG  108 - HA    ARG  103  far    0    69   0   -  9.1-10.9
      HG3   PRO  109 - HA    ARG  103  far    0    57   0   -  9.6-11.2
      HB2   LEU   45 - HA    ARG  403  far    0    65   0   -  9.8-46.4
    Violated in 0 structures by 0.00 A.
 
    Peak 337 from c13no.peaks (1.81, 4.19, 58.51 ppm; 3.47 A increased from 3.27 A):
    1 out of 7 assignments used, quality = 1.00:
    * HG    LEU   86 + HA    LEU   86  OK   100   100 100 100  2.7-3.3   3.6=86, 2.1/827=80, 3075/3.0=53, ~3055=30...(9)
      HG2   ARG  103 - HA    ARG  103  far    0    38   0   -  3.6-3.9
      HG    LEU   87 - HA    LEU   86  far    0   100   0   -  6.7-6.8
      HG3   PRO  112 - HA    LEU   86  far    0    90   0   -  7.0-8.1
      HB    ILE  100 - HA    ARG  103  far    0    65   0   -  7.6-7.9
      HG    LEU   84 - HA    LEU   86  far    0    95   0   -  8.6-9.4
      HB3   ARG  124 - HA    ARG  103  far    0    67   0   -  9.1-15.8
    Violated in 0 structures by 0.00 A.
 
    Peak 338 from c13no.peaks (0.67, 4.19, 58.51 ppm; 4.25 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD1   LEU   86 + HA    LEU   86  OK   100   100 100 100  3.8-3.9   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 339 from c13no.peaks (0.89, 4.19, 58.51 ppm; 3.10 A):
    1 out of 9 assignments used, quality = 1.00:
    * QD2   LEU   86 + HA    LEU   86  OK   100   100 100 100  1.8-2.2   827=100, 2.1/337=53, 3077/3.0=41, ~3055=23...(9)
      QD1   LEU  122 - HA    ARG  103  far    0    49   0   -  4.2-4.8
      QQG   VAL  104 - HA    ARG  103  far    0    54   0   -  4.5-4.7
      QD2   LEU  122 - HA    ARG  103  far    0    47   0   -  4.8-5.7
      QG1   VAL   88 - HA    LEU   86  far    0    89   0   -  4.9-7.0
      QG2   ILE  100 - HA    ARG  103  far    0    64   0   -  5.6-5.8
      QD1   ILE  100 - HA    ARG  103  far    0    64   0   -  6.3-6.8
      QD2   LEU  118 - HA    ARG  103  far    0    42   0   -  7.9-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 340 from c13no.peaks (4.19, 1.76, 41.68 ppm; 4.19 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   86 + HB2   LEU   86  OK   100   100 100 100  2.4-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 341 from c13no.peaks (1.76, 1.76, 41.68 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   86 + HB2   LEU   86  OK   100   100   - 100
 
    Peak 342 from c13no.peaks (1.81, 1.76, 41.68 ppm; 3.11 A increased from 2.76 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU   86 + HB2   LEU   86  OK   100   100 100 100  2.2-3.0   2.9=100
      HG    LEU   87 - HB2   LEU   86  far    0   100   0   -  5.1-5.9
      HG    LEU   84 - HB2   LEU   86  far    0    95   0   -  6.8-9.3
      HG3   PRO  112 - HB2   LEU   86  far    0    90   0   -  8.4-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 343 from c13no.peaks (0.67, 1.76, 41.68 ppm; 3.84 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD1   LEU   86 + HB2   LEU   86  OK   100   100 100 100  2.1-2.5   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 344 from c13no.peaks (0.89, 1.76, 41.68 ppm; 3.69 A):
    1 out of 4 assignments used, quality = 1.00:
    * QD2   LEU   86 + HB2   LEU   86  OK   100   100 100 100  2.3-2.5   3.1=100
      QG1   VAL   88 - HB2   LEU   86  far    0    89   0   -  5.8-8.3
      QG2   VAL   77 - HB2   LEU   86  far    0   100   0   -  8.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 345 from c13no.peaks (4.50, 4.50, 57.82 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   87 + HA    LEU   87  OK   100   100   - 100
 
    Peak 346 from c13no.peaks (2.33, 4.50, 57.82 ppm; 4.98 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   LEU   87 + HA    LEU   87  OK   100   100 100 100  2.8-3.0   3.0=100
      HB    VAL   88 - HA    LEU   87  far    0   100   0   -  5.7-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 347 from c13no.peaks (1.81, 4.50, 57.82 ppm; 3.95 A increased from 3.51 A):
    1 out of 6 assignments used, quality = 0.95:
    * HG    LEU   87 + HA    LEU   87  OK    95   100  95 100  3.8-3.9   2.1/847=87, 4.3=79, 2.1/348=73, 3100/3.0=58...(11)
      HG    LEU   86 - HA    LEU   87  far    0   100   0   -  5.2-6.4
      HG2   GLN   91 - HA    LEU   87  far    0    60   0   -  6.4-7.6
      QB    ARG   48 - HA    LEU   87  far    0    68   0   -  7.0-8.3
      HG    LEU   84 - HA    LEU   87  far    0    97   0   -  8.1-9.8
      HG3   PRO  112 - HA    LEU   87  far    0    95   0   -  8.8-9.7
    Violated in 2 structures by 0.01 A.
 
    Peak 348 from c13no.peaks (0.74, 4.50, 57.82 ppm; 3.81 A):
    1 out of 5 assignments used, quality = 1.00:
    * QD1   LEU   87 + HA    LEU   87  OK   100   100 100 100  3.3-3.5   3.9=91, 2.1/847=84, 2.1/347=66, 1104/3.0=64...(12)
      QD2   LEU   89 - HA    LEU   87  far    0   100   0   -  6.3-6.8
      QD1   LEU   84 - HA    LEU   87  far    0   100   0   -  6.6-7.2
      QD1   LEU   65 - HA    LEU   87  far    0    93   0   -  7.1-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 349 from c13no.peaks (1.00, 4.50, 57.82 ppm; 3.99 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD2   LEU   87 + HA    LEU   87  OK   100   100 100 100  2.1-2.3   3.9=100
      HG    LEU   65 - HA    LEU   87  far    0    76   0   -  7.2-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 350 from c13no.peaks (4.50, 2.33, 42.26 ppm; 4.48 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   87 + HB2   LEU   87  OK   100   100 100 100  2.8-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 351 from c13no.peaks (2.33, 2.33, 42.26 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   87 + HB2   LEU   87  OK   100   100   - 100
 
    Peak 352 from c13no.peaks (1.81, 2.33, 42.26 ppm; 3.77 A):
    1 out of 6 assignments used, quality = 1.00:
    * HG    LEU   87 + HB2   LEU   87  OK   100   100 100 100  2.4-2.5   3.0=100
      HG2   GLN   91 - HB2   LEU   87  far    0    60   0   -  5.2-7.2
      HG    LEU   84 - HB2   LEU   87  far    0    97   0   -  5.3-8.0
      HG    LEU   86 - HB2   LEU   87  far    0   100   0   -  6.5-7.6
      QB    ARG   48 - HB2   LEU   87  far    0    68   0   -  6.7-8.0
      HG3   PRO  112 - HB2   LEU   87  far    0    95   0   -  8.5-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 353 from c13no.peaks (0.74, 2.33, 42.26 ppm; 3.54 A):
    1 out of 6 assignments used, quality = 1.00:
    * QD1   LEU   87 + HB2   LEU   87  OK   100   100 100 100  2.1-2.3   3.1=100
      QD1   LEU   84 - HB2   LEU   87  far    0   100   0   -  4.3-5.3
      QD1   LEU   65 - HB2   LEU   87  far    0    93   0   -  6.3-7.2
      QD2   LEU   89 - HB2   LEU   87  far    0   100   0   -  7.7-8.0
      QD2   LEU   45 - HB2   LEU   87  far    0    97   0   -  9.6-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 354 from c13no.peaks (1.00, 2.33, 42.26 ppm; 3.99 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD2   LEU   87 + HB2   LEU   87  OK   100   100 100 100  3.2-3.2   3.1=100
      HG    LEU   65 - HB2   LEU   87  far    0    76   0   -  6.0-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 355 from c13no.peaks (3.72, 3.72, 67.96 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    VAL   88 + HA    VAL   88  OK   100   100   - 100
 
    Peak 356 from c13no.peaks (2.32, 3.72, 67.96 ppm; 4.15 A):
    2 out of 2 assignments used, quality = 1.00:
    * HB    VAL   88 + HA    VAL   88  OK   100   100 100 100  2.2-3.0   3.0=100
      HB2   LEU   87 + HA    VAL   88  OK    99   100 100  99  3.8-3.9   3107/3.0=58, 290/88=47, ~1119=42, 6.1=32...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 357 from c13no.peaks (1.11, 3.72, 67.96 ppm; 3.44 A):
    1 out of 2 assignments used, quality = 1.00:
    * QG2   VAL   88 + HA    VAL   88  OK   100   100 100 100  2.3-3.0   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 358 from c13no.peaks (3.72, 2.32, 32.08 ppm; 4.02 A):
    2 out of 3 assignments used, quality = 1.00:
    * HA    VAL   88 + HB    VAL   88  OK   100   100 100 100  2.2-3.0   3.0=100
      HD3   PRO  126 + HB2   PRO  126  OK    80    80 100 100  3.9-4.0   3.0=100
      HD3   PRO   40 - HB2   PRO  426  far    0    75   0   -  9.6-48.5
    Violated in 0 structures by 0.00 A.
 
    Peak 359 from c13no.peaks (2.32, 2.32, 32.08 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB    VAL   88 + HB    VAL   88  OK   100   100   - 100
      HB2   PRO  126 + HB2   PRO  126  OK    88    88   - 100
 
    Peak 360 from c13no.peaks (1.11, 2.32, 32.08 ppm; 3.48 A):
    1 out of 3 assignments used, quality = 1.00:
    * QG2   VAL   88 + HB    VAL   88  OK   100   100 100 100  2.1-2.1   2.1=100
      QG1   VAL  119 - HB2   PRO  126  far    0    77   0   - 10.0-15.9
    Violated in 0 structures by 0.00 A.
 
    Peak 361 from c13no.peaks (3.94, 3.94, 59.00 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    LEU   89 + HA    LEU   89  OK   100   100   - 100
      HA    GLN   82 + HA    GLN   82  OK    67    67   - 100
 
    Peak 362 from c13no.peaks (2.27, 3.94, 59.00 ppm; 3.54 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB2   LEU   89 + HA    LEU   89  OK   100   100 100 100  3.0-3.0   2.9=100
      HG3   GLU   85 - HA    GLN   82  far    2    80   3   -  2.5-4.2
      HG3   GLU   85 - HA    LEU   89  far    0    99   0   -  6.4-7.3
      HG3   GLU  114 - HA    LEU   89  far    0   100   0   -  8.0-9.2
      HB2   LEU   89 - HA    GLN   82  far    0    83   0   -  8.6-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 363 from c13no.peaks (1.73, 3.94, 59.00 ppm; 3.85 A):
    1 out of 9 assignments used, quality = 1.00:
    * HG    LEU   89 + HA    LEU   89  OK   100   100 100 100  2.9-3.5   3.7=100
      QB    LEU   84 - HA    GLN   82  far    0    54   0   -  5.3-5.9
      QD    LYS   80 - HA    GLN   82  far    0    77   0   -  6.3-8.6
      HG3   PRO  109 - HA    LEU   89  far    0    89   0   -  6.3-7.5
      HB2   ARG   78 - HA    GLN   82  far    0    43   0   -  6.3-6.8
      QB    LEU   84 - HA    LEU   89  far    0    73   0   -  7.3-7.8
      HB2   LEU   62 - HA    LEU   89  far    0    81   0   -  7.7-9.2
      HG    LEU   89 - HA    GLN   82  far    0    83   0   -  8.5-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 364 from c13no.peaks (0.81, 3.94, 59.00 ppm; 3.88 A increased from 3.45 A):
    1 out of 5 assignments used, quality = 1.00:
    * QD1   LEU   89 + HA    LEU   89  OK   100   100 100 100  3.5-3.8   859=100, 2.1/856=90, 3196/3.0=49, ~3198=32...(6)
      QD2   LEU   93 - HA    LEU   89  far    0    87   0   -  4.5-5.6
      QD1   LEU   89 - HA    GLN   82  far    0    83   0   -  7.1-9.1
      HG    LEU   73 - HA    GLN   82  far    0    54   0   -  9.3-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 365 from c13no.peaks (0.74, 3.94, 59.00 ppm; 3.28 A):
    1 out of 8 assignments used, quality = 1.00:
    * QD2   LEU   89 + HA    LEU   89  OK   100   100 100 100  1.8-2.0   856=100, 2.1/859=51, 3198/3.0=37, 3185/3168=24...(8)
      QD1   LEU   65 - HA    LEU   89  far    0    90   0   -  4.7-6.3
      QD1   LEU   84 - HA    GLN   82  far    0    82   0   -  6.0-6.7
      QD1   LEU   87 - HA    LEU   89  far    0   100   0   -  6.5-7.2
      QD1   LEU   87 - HA    GLN   82  far    0    82   0   -  6.6-6.9
      QD1   LEU   84 - HA    LEU   89  far    0   100   0   -  8.9-9.5
      QD2   LEU   89 - HA    GLN   82  far    0    83   0   -  9.0-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 366 from c13no.peaks (3.94, 2.27, 42.58 ppm; 4.45 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   89 + HB2   LEU   89  OK   100   100 100 100  3.0-3.0   2.9=100
      HA    GLN   82 - HB2   LEU   89  far    0    89   0   -  8.6-9.9
      HA    ALA  115 - HB2   LEU   89  far    0   100   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 367 from c13no.peaks (2.27, 2.27, 42.58 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   89 + HB2   LEU   89  OK   100   100   - 100
 
    Peak 368 from c13no.peaks (1.73, 2.27, 42.58 ppm; 3.98 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG    LEU   89 + HB2   LEU   89  OK   100   100 100 100  2.4-3.0   3.0=100
      HG3   PRO  109 - HB2   LEU   89  far    0    89   0   -  7.1-8.7
      QB    LEU   84 - HB2   LEU   89  far    0    73   0   -  7.2-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 369 from c13no.peaks (0.81, 2.27, 42.58 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD1   LEU   89 + HB2   LEU   89  OK   100   100 100 100  2.0-2.5   3.1=100
      QD2   LEU   93 - HB2   LEU   89  far    0    87   0   -  5.9-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 370 from c13no.peaks (0.74, 2.27, 42.58 ppm; 3.86 A):
    1 out of 4 assignments used, quality = 1.00:
    * QD2   LEU   89 + HB2   LEU   89  OK   100   100 100 100  2.7-3.2   3.1=100
      QD1   LEU   87 - HB2   LEU   89  far    0   100   0   -  5.6-6.4
      QD1   LEU   65 - HB2   LEU   89  far    0    90   0   -  6.6-8.3
      QD1   LEU   84 - HB2   LEU   89  far    0   100   0   -  8.3-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 371 from c13no.peaks (4.04, 4.04, 59.81 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   90 + HA    GLU   90  OK   100   100   - 100
 
    Peak 372 from c13no.peaks (2.47, 4.04, 59.81 ppm; 3.61 A):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLU   90 + HA    GLU   90  OK   100   100 100 100  2.3-2.5   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 373 from c13no.peaks (2.14, 4.04, 59.81 ppm; 3.55 A):
    1 out of 3 assignments used, quality = 1.00:
    * QG    GLU   90 + HA    GLU   90  OK   100   100 100 100  2.2-3.0   3.4=100
      QB    GLU   85 - HA    GLU   90  far    0    89   0   -  7.8-8.9
      QB    GLU  114 - HA    GLU   90  far    0    68   0   -  9.4-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 374 from c13no.peaks (4.04, 2.47, 30.18 ppm; 4.24 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   90 + QB    GLU   90  OK   100   100 100 100  2.3-2.5   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 375 from c13no.peaks (2.47, 2.47, 30.18 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLU   90 + QB    GLU   90  OK   100   100   - 100
 
    Peak 376 from c13no.peaks (2.14, 2.47, 30.18 ppm; 4.10 A):
    1 out of 4 assignments used, quality = 1.00:
    * QG    GLU   90 + QB    GLU   90  OK   100   100 100 100  2.0-2.1   2.1=100
      QB    GLU   85 - QB    GLU   90  far    0    89   0   -  7.1-8.1
      QB    GLU  114 - QB    GLU   90  far    0    68   0   -  9.9-10.8
      HG3   MET   83 - QB    GLU   90  far    0    97   0   - 10.0-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 377 from c13no.peaks (3.97, 3.97, 57.62 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLN   91 + HA    GLN   91  OK   100   100   - 100
 
    Peak 378 from c13no.peaks (1.69, 3.97, 57.62 ppm; 3.90 A):
    1 out of 2 assignments used, quality = 1.00:
    * QB    GLN   91 + HA    GLN   91  OK   100   100 100 100  2.2-2.5   2.5=100
      HB3   LEU   87 - HA    GLN   91  far    0   100   0   -  5.8-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 379 from c13no.peaks (1.84, 3.97, 57.62 ppm; 4.03 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   GLN   91 + HA    GLN   91  OK   100   100 100 100  3.2-3.8   4.0=100
      HG    LEU   87 - HA    GLN   91  far    0    60   0   -  8.2-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 380 from c13no.peaks (3.97, 1.69, 29.86 ppm; 4.91 A):
    2 out of 4 assignments used, quality = 1.00:
    * HA    GLN   91 + QB    GLN   91  OK   100   100 100 100  2.2-2.5   2.5=100
      HA    PHE   92 + QB    GLN   91  OK    76    76 100 100  3.7-4.3   5.2=86, 3230/3218=47, ~413=41, ~420=40...(9)
      HA    PRO  112 - QB    GLN   91  far    0    97   0   -  6.5-7.2
      HA    ARG   46 - QB    GLN   91  far    0    97   0   -  8.8-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 381 from c13no.peaks (1.69, 1.69, 29.86 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLN   91 + QB    GLN   91  OK   100   100   - 100
 
    Peak 382 from c13no.peaks (1.84, 1.69, 29.86 ppm; 3.75 A):
    1 out of 5 assignments used, quality = 1.00:
    * HG2   GLN   91 + QB    GLN   91  OK   100   100 100 100  2.1-2.3   2.5=100
      HG    LEU   87 - QB    GLN   91  far    0    60   0   -  5.7-6.2
      QB    ARG   66 - QB    GLN   91  far    0    76   0   -  6.9-7.7
      HG    LEU   84 - QB    GLN   91  far    0    85   0   -  7.5-10.1
      HG3   PRO  112 - QB    GLN   91  far    0    90   0   -  7.6-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 383 from c13no.peaks (3.99, 3.99, 61.73 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PHE   92 + HA    PHE   92  OK   100   100   - 100
 
    Peak 384 from c13no.peaks (3.10, 3.99, 61.73 ppm; 3.69 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PHE   92 + HA    PHE   92  OK   100   100 100 100  3.0-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 385 from c13no.peaks (3.99, 3.10, 39.89 ppm; 4.16 A):
    2 out of 4 assignments used, quality = 1.00:
    * HA    PHE   92 + HB2   PHE   92  OK   100   100 100 100  3.0-3.0   3.0=100
      HA    PRO  112 + HB2   PHE   92  OK    80    95 100  85  3.1-3.7   3744/3185=41, 3746/3238=35, 108/2.4=30, 3745/2277=24...(6)
      HA    GLN   91 - HB2   PHE   92  far    0    76   0   -  5.8-5.9
      HB3   SER  111 - HB2   PHE   92  far    0   100   0   -  8.7-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 386 from c13no.peaks (3.10, 3.10, 39.89 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PHE   92 + HB2   PHE   92  OK   100   100   - 100
 
    Peak 387 from c13no.peaks (3.75, 3.75, 57.75 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   93 + HA    LEU   93  OK   100   100   - 100
 
    Peak 388 from c13no.peaks (1.93, 3.75, 57.75 ppm; 3.69 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB2   LEU   93 + HA    LEU   93  OK   100   100 100 100  2.5-3.0   2.9=100
      HB3   GLN  101 - HA    LEU   93  far    0    83   0   -  6.0-6.9
      HB3   PRO  112 - HA    LEU   93  far    0    78   0   -  6.8-7.9
      HG    LEU  118 - HA    LEU   93  far    0   100   0   -  7.7-8.2
      HB3   ARG  103 - HA    LEU   93  far    0    93   0   -  9.0-10.2
      HB2   LEU   65 - HA    LEU   93  far    0    90   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 389 from c13no.peaks (2.00, 3.75, 57.75 ppm; 3.82 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG    LEU   93 + HA    LEU   93  OK   100   100 100 100  2.7-2.9   874=92, 2.1/881=82, 2.1/877=67, 3285/3.0=44...(20)
      HB2   PRO  109 - HA    LEU   93  far    0    99   0   -  8.1-8.9
      HB2   ARG  103 - HA    LEU   93  far    0   100   0   -  9.1-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 390 from c13no.peaks (0.93, 3.75, 57.75 ppm; 3.97 A):
    1 out of 5 assignments used, quality = 1.00:
    * QD1   LEU   93 + HA    LEU   93  OK   100   100 100 100  3.8-3.8   3.9=100
      HB3   LEU   96 - HA    LEU   93  far    2    92   3   -  3.9-4.8
      QD1   LEU  118 - HA    LEU   93  far    0   100   0   -  5.6-6.2
      QG1   VAL   88 - HA    LEU   93  far    0    63   0   -  7.0-7.6
      QD2   LEU  118 - HA    LEU   93  far    0    83   0   -  7.3-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 391 from c13no.peaks (0.80, 3.75, 57.75 ppm; 3.27 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD2   LEU   93 + HA    LEU   93  OK   100   100 100 100  1.9-2.1   881=100, 2.1/389=51, 2.1/877=49, 3318/3332=48...(21)
      QD1   LEU   89 - HA    LEU   93  far    0    87   0   -  5.6-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 392 from c13no.peaks (3.75, 1.93, 41.68 ppm; 4.02 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   93 + HB2   LEU   93  OK   100   100 100 100  2.5-3.0   2.9=100
      HA3   GLY   94 - HB2   LEU   93  far    0   100   0   -  4.6-5.7
      HA    LEU   62 - HB2   LEU   93  far    0    60   0   -  9.0-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 393 from c13no.peaks (1.93, 1.93, 41.68 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   93 + HB2   LEU   93  OK   100   100   - 100
 
    Peak 394 from c13no.peaks (2.00, 1.93, 41.68 ppm; 3.49 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU   93 + HB2   LEU   93  OK   100   100 100 100  2.4-3.0   3.0=100
      HB2   PRO  109 - HB2   LEU   93  far    0    99   0   -  7.2-8.8
      HB2   ARG  103 - HB2   LEU   93  far    0   100   0   -  9.5-12.8
      HB2   GLU  113 - HB2   LEU   93  far    0    83   0   -  9.7-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 395 from c13no.peaks (0.93, 1.93, 41.68 ppm; 3.57 A):
    1 out of 5 assignments used, quality = 1.00:
    * QD1   LEU   93 + HB2   LEU   93  OK   100   100 100 100  2.1-2.4   3.1=100
      HB3   LEU   96 - HB2   LEU   93  far    0    92   0   -  5.2-7.4
      QG1   VAL   88 - HB2   LEU   93  far    0    63   0   -  5.9-8.1
      QD1   LEU  118 - HB2   LEU   93  far    0   100   0   -  6.0-7.2
      QD2   LEU  118 - HB2   LEU   93  far    0    83   0   -  7.1-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 396 from c13no.peaks (0.80, 1.93, 41.68 ppm; 3.72 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD2   LEU   93 + HB2   LEU   93  OK   100   100 100 100  2.3-3.2   3.1=100
      QD1   LEU   89 - HB2   LEU   93  lone   4    87  25  18  3.2-5.8   6.1/3277=18
    Violated in 0 structures by 0.00 A.
 
    Peak 397 from c13no.peaks (3.79, 3.79, 46.54 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA2   GLY   94 + HA2   GLY   94  OK   100   100   - 100
 
    Peak 398 from c13no.peaks (4.50, 4.50, 51.90 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ALA   95 + HA    ALA   95  OK   100   100   - 100
 
    Peak 399 from c13no.peaks (1.61, 4.50, 51.90 ppm; 3.12 A):
    1 out of 2 assignments used, quality = 1.00:
    * QB    ALA   95 + HA    ALA   95  OK   100   100 100 100  2.1-2.1   2.1=100
      QG    ARG   48 - HA    ALA   95  far    0    99   0   -  6.8-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 400 from c13no.peaks (4.50, 1.61, 20.52 ppm; 2.91 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    ALA   95 + QB    ALA   95  OK   100   100 100 100  2.1-2.1   2.1=100
      HA    LEU   87 - QB    ALA   95  far    0   100   0   -  8.6-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 401 from c13no.peaks (1.61, 1.61, 20.52 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ALA   95 + QB    ALA   95  OK   100   100   - 100
 
    Peak 402 from c13no.peaks (4.16, 4.16, 66.36 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   98 + HA    PRO   98  OK   100   100   - 100
 
    Peak 403 from c13no.peaks (2.40, 4.16, 66.36 ppm; 3.21 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   PRO   98 + HA    PRO   98  OK   100   100 100 100  2.7-2.7   2.3=100
      HG2   GLN  101 - HA    PRO   98  far    0    71   0   -  4.7-5.8
      QG    GLN  105 - HA    PRO   98  far    0   100   0   -  6.4-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 404 from c13no.peaks (1.99, 4.16, 66.36 ppm; 3.18 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   PRO   98 + HA    PRO   98  OK   100   100 100 100  2.3-2.3   2.3=100
      HB2   ARG  103 - HA    PRO   98  far    0    99   0   -  7.7-8.5
      HG    LEU   93 - HA    PRO   98  far    0    99   0   -  9.0-12.1
      HB    VAL  104 - HA    PRO   98  far    0    76   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 405 from c13no.peaks (3.90, 4.16, 66.36 ppm; 4.26 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO   98 + HA    PRO   98  OK   100   100 100 100  4.1-4.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 406 from c13no.peaks (4.16, 2.40, 32.61 ppm; 3.26 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    PRO   98 + HB2   PRO   98  OK   100   100 100 100  2.7-2.7   2.3=100
      HA    GLU   99 - HB2   PRO   98  far    0    97   0   -  4.2-4.2
      HA    ALA  102 - HB2   PRO   98  far    0    60   0   -  6.9-7.4
      HA    ARG  103 - HB2   PRO   98  far    0    81   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 407 from c13no.peaks (2.40, 2.40, 32.61 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PRO   98 + HB2   PRO   98  OK   100   100   - 100
 
    Peak 408 from c13no.peaks (1.99, 2.40, 32.61 ppm; 2.66 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   PRO   98 + HB2   PRO   98  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   ARG  103 - HB2   PRO   98  far    0    99   0   -  8.8-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 409 from c13no.peaks (3.90, 2.40, 32.61 ppm; 4.08 A increased from 3.84 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO   98 + HB2   PRO   98  OK   100   100 100 100  4.0-4.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 410 from c13no.peaks (4.16, 1.99, 32.61 ppm; 3.41 A):
    1 out of 7 assignments used, quality = 1.00:
    * HA    PRO   98 + HB3   PRO   98  OK   100   100 100 100  2.3-2.3   2.3=100
      HA    GLU   99 - HB3   PRO   98  far    0    97   0   -  5.6-5.6
      HA    ARG  103 - HB    VAL  104  far    0    53   0   -  5.9-6.0
      HA    ALA  102 - HB    VAL  104  far    0    37   0   -  6.8-7.1
      HA    ALA  102 - HB3   PRO   98  far    0    60   0   -  7.4-7.9
      HA    GLU   99 - HB    VAL  104  far    0    69   0   -  9.2-9.5
      HA    PRO   98 - HB    VAL  104  far    0    74   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 411 from c13no.peaks (2.40, 1.99, 32.61 ppm; 2.74 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB2   PRO   98 + HB3   PRO   98  OK   100   100 100 100  1.8-1.8   1.8=100
      HG2   GLN  101 - HB    VAL  104  far    0    45   0   -  5.4-6.0
      QG    GLN  105 - HB    VAL  104  far    0    74   0   -  6.0-7.0
      HG2   GLN  101 - HB3   PRO   98  far    0    71   0   -  6.5-7.9
      QG    GLN  105 - HB3   PRO   98  far    0   100   0   -  8.1-9.8
      HB2   PRO   58 - HB    VAL  104  far    0    72   0   -  8.9-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 412 from c13no.peaks (1.99, 1.99, 32.61 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   PRO   98 + HB3   PRO   98  OK   100   100   - 100
      HB    VAL  104 + HB    VAL  104  OK    49    49   - 100
 
    Peak 413 from c13no.peaks (3.90, 1.99, 32.61 ppm; 4.05 A increased from 3.81 A):
    1 out of 2 assignments used, quality = 1.00:
    * HD2   PRO   98 + HB3   PRO   98  OK   100   100 100 100  3.9-3.9   3.0=100
      HA    ALA  116 - HB    VAL  104  far    0    41   0   -  7.0-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 414 from c13no.peaks (4.15, 4.15, 59.94 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLU   99 + HA    GLU   99  OK   100   100   - 100
      HA    PHE   50 + HA    PHE   50  OK    80    80   - 100
 
    Peak 415 from c13no.peaks (2.04, 4.15, 59.94 ppm; 2.80 A):
    1 out of 8 assignments used, quality = 1.00:
    * QB    GLU   99 + HA    GLU   99  OK   100   100 100 100  2.2-2.3   2.5=100
      HB2   GLN  101 - HA    GLU   99  far    0    97   0   -  5.6-5.8
      HG    LEU   68 - HA    PHE   50  far    0    84   0   -  6.1-8.4
      HB3   PRO   97 - HA    GLU   99  far    0    97   0   -  6.8-6.9
      HG3   GLN  101 - HA    GLU   99  far    0    99   0   -  7.1-7.8
      QG    PRO  126 - HA    GLU   99  far    0    78   0   -  8.0-18.1
      HB2   GLU  125 - HA    GLU   99  far    0    95   0   -  9.1-17.5
      QB    GLU   54 - HA    GLU   99  far    0    63   0   -  9.8-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 416 from c13no.peaks (2.34, 4.15, 59.94 ppm; 3.37 A):
    1 out of 3 assignments used, quality = 1.00:
    * QG    GLU   99 + HA    GLU   99  OK   100   100 100 100  2.6-3.3   3.4=100
      HB2   PRO  126 - HA    GLU   99  far    0    68   0   -  9.6-21.8
      HB    VAL   88 - HA    PHE   50  far    0    74   0   -  9.7-12.9
    Violated in 0 structures by 0.00 A.
 
    Peak 417 from c13no.peaks (4.15, 2.04, 28.97 ppm; 2.93 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLU   99 + QB    GLU   99  OK   100   100 100 100  2.2-2.3   2.5=100
      HD2   PRO  112 - HB2   GLU  113  far    0    45   0   -  4.0-4.3
      HA    PRO   98 - QB    GLU   99  far    0    97   0   -  5.2-5.5
      HA    ALA  102 - QB    GLU   99  far    0    85   0   -  7.2-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 418 from c13no.peaks (2.04, 2.04, 28.97 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QB    GLU   99 + QB    GLU   99  OK   100   100   - 100
      HB2   GLU  113 + HB2   GLU  113  OK    28    28   - 100
 
    Peak 419 from c13no.peaks (2.34, 2.04, 28.97 ppm; 2.62 A):
    1 out of 3 assignments used, quality = 1.00:
    * QG    GLU   99 + QB    GLU   99  OK   100   100 100 100  2.0-2.1   2.1=100
      HB    VAL   88 - HB2   GLU  113  far    0    49   0   -  7.0-9.6
      HB2   PRO  126 - QB    GLU   99  far    0    68   0   -  7.2-17.8
    Violated in 0 structures by 0.00 A.
 
    Peak 420 from c13no.peaks (4.01, 4.01, 63.38 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ILE  100 + HA    ILE  100  OK   100   100   - 100
 
    Peak 421 from c13no.peaks (1.81, 4.01, 63.38 ppm; 3.80 A):
    2 out of 4 assignments used, quality = 1.00:
    * HB    ILE  100 + HA    ILE  100  OK   100   100 100 100  3.0-3.0   3.0=100
      HG2   ARG  103 + HA    ILE  100  OK    74    87  88  97  3.5-3.9   3548=69, 3.0/3455=54, 1.8/3549=50, 5.6/737=25...(10)
      HG2   ARG  123 - HA    ILE  100  far    0    99   0   -  6.0-9.7
      HB3   ARG  124 - HA    ILE  100  far    0    90   0   -  7.6-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 422 from c13no.peaks (0.90, 4.01, 63.38 ppm; 3.09 A):
    2 out of 5 assignments used, quality = 1.00:
    * QG2   ILE  100 + HA    ILE  100  OK   100   100 100 100  2.3-2.4   3.2=90, 3.0/2732=41, 1674/3.0=37, 3.2/424=37...(21)
      QD1   ILE  100 + HA    ILE  100  OK    82    83 100  99  2.3-2.6   2732=57, 2.1/424=48, 3.0/1617=45, 2.1/3482=40...(17)
      QQG   VAL  104 - HA    ILE  100  far    0    63   0   -  3.9-4.5
      HB3   LEU   96 - HA    ILE  100  far    0    83   0   -  5.2-5.5
      QD2   LEU  118 - HA    ILE  100  far    0    92   0   -  8.4-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 423 from c13no.peaks (1.58, 4.01, 63.38 ppm; 3.98 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG12  ILE  100 + HA    ILE  100  OK   100   100 100 100  3.7-3.8   3.9=100
      HB3   LEU  122 - HA    ILE  100  far    0    99   0   -  5.4-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 424 from c13no.peaks (1.17, 4.01, 63.38 ppm; 3.72 A):
    1 out of 1 assignment used, quality = 1.00:
    * HG13  ILE  100 + HA    ILE  100  OK   100   100 100 100  2.4-2.8   2734=87, 2.1/2732=73, 1.8/3482=64, 233/3.0=61...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 425 from c13no.peaks (0.88, 4.01, 63.38 ppm; 3.09 A):
    3 out of 5 assignments used, quality = 1.00:
    * QD1   ILE  100 + HA    ILE  100  OK    99   100 100  99  2.3-2.6   2732=68, 2.1/424=48, 3.0/1617=45, 2.1/3482=40...(17)
      QG2   ILE  100 + HA    ILE  100  OK    83    83 100 100  2.3-2.4   3.2=90, 3.0/2732=41, 3.2/424=37, 3.2/3482=32...(21)
      QD2   LEU  122 + HA    ILE  100  OK    59    96 100  62  2.4-3.1   2.1/4005=44, 4012/3548=21, 4008/3461=7, 3543/3455=7
      QD1   LEU  122 - HA    ILE  100  poor  15    97  25  64  2.8-3.5   4005=49, 3994/3496=10, 3543/3455=8, 3555/3548=8
      QQG   VAL  104 - HA    ILE  100  far    0    99   0   -  3.9-4.5
    Violated in 0 structures by 0.00 A.
 
    Peak 426 from c13no.peaks (4.01, 1.81, 38.78 ppm; 3.93 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    ILE  100 + HB    ILE  100  OK   100   100 100 100  3.0-3.0   3.0=100
      HA    PHE   92 - HB    ILE  100  far    0    87   0   -  9.0-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 427 from c13no.peaks (1.81, 1.81, 38.78 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB    ILE  100 + HB    ILE  100  OK   100   100   - 100
 
    Peak 428 from c13no.peaks (0.90, 1.81, 38.78 ppm; 2.97 A):
    2 out of 5 assignments used, quality = 1.00:
    * QG2   ILE  100 + HB    ILE  100  OK   100   100 100 100  2.1-2.1   2.1=100
      HB3   LEU   96 + HB    ILE  100  OK    77    83 100  93  2.5-2.9   3.2/3463=25, 3.2/3464=24, 3412/3483=21, 4.8/3378=18...(21)
      QD1   ILE  100 - HB    ILE  100  far    2    83   3   -  3.1-3.2
      QQG   VAL  104 - HB    ILE  100  far    0    63   0   -  4.0-4.5
      QD2   LEU  118 - HB    ILE  100  far    0    92   0   -  8.9-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 429 from c13no.peaks (1.58, 1.81, 38.78 ppm; 3.39 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG12  ILE  100 + HB    ILE  100  OK   100   100 100 100  2.2-2.3   2.9=100
      HB3   LEU  122 - HB    ILE  100  far    0    99   0   -  8.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 430 from c13no.peaks (1.17, 1.81, 38.78 ppm; 3.82 A):
    1 out of 1 assignment used, quality = 1.00:
    * HG13  ILE  100 + HB    ILE  100  OK   100   100 100 100  2.6-2.7   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 431 from c13no.peaks (0.88, 1.81, 38.78 ppm; 2.97 A):
    1 out of 5 assignments used, quality = 0.83:
      QG2   ILE  100 + HB    ILE  100  OK    83    83 100 100  2.1-2.1   2.1=100
    ! QD1   ILE  100 - HB    ILE  100  far    3   100   3   -  3.1-3.2
      QQG   VAL  104 - HB    ILE  100  far    0    99   0   -  4.0-4.5
      QD2   LEU  122 - HB    ILE  100  far    0    96   0   -  4.4-4.9
      QD1   LEU  122 - HB    ILE  100  far    0    97   0   -  4.5-5.2
    Violated in 0 structures by 0.00 A.
 
    Peak 432 from c13no.peaks (3.56, 3.56, 60.67 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLN  101 + HA    GLN  101  OK   100   100   - 100
 
    Peak 433 from c13no.peaks (2.06, 3.56, 60.67 ppm; 3.19 A):
    2 out of 5 assignments used, quality = 1.00:
    * HB2   GLN  101 + HA    GLN  101  OK   100   100 100 100  2.9-3.0   3.0=100
      HG3   GLN  101 + HA    GLN  101  OK    67   100  68 100  3.0-3.5   4089=62, 1.8/656=59, 4105/2.9=37, 3323/3331=29...(25)
      QB    GLU   99 - HA    GLN  101  far    0    97   0   -  7.2-7.5
      HB3   PRO   97 - HA    GLN  101  far    0    78   0   -  7.9-8.0
      HB3   PRO   58 - HA    GLN  101  far    0    87   0   -  9.8-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 434 from c13no.peaks (2.37, 3.56, 60.67 ppm; 3.59 A):
    1 out of 2 assignments used, quality = 0.98:
    * HG2   GLN  101 + HA    GLN  101  OK    98    98 100 100  2.1-2.2   656=97, 1.8/4089=68, 4109/2.9=50, 3324/3331=39...(25)
      QG    GLU   99 - HA    GLN  101  far    0    65   0   -  6.5-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 435 from c13no.peaks (3.56, 2.06, 29.70 ppm; 3.83 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLN  101 + HB2   GLN  101  OK   100   100 100 100  2.9-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 436 from c13no.peaks (2.06, 2.06, 29.70 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   GLN  101 + HB2   GLN  101  OK   100   100   - 100
      HB2   GLU  125 + HB2   GLU  125  OK    84    84   - 100
 
    Peak 437 from c13no.peaks (2.37, 2.06, 29.70 ppm; 3.04 A increased from 2.86 A):
    1 out of 3 assignments used, quality = 0.98:
    * HG2   GLN  101 + HB2   GLN  101  OK    98    98 100 100  2.5-3.0   2.9=100
      QG    GLU   99 - HB2   GLN  101  far    0    65   0   -  5.4-6.8
      QG    GLU   99 - HB2   GLU  125  far    0    49   0   -  6.5-13.1
    Violated in 0 structures by 0.00 A.
 
    Peak 438 from c13no.peaks (4.13, 4.13, 55.31 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ALA  102 + HA    ALA  102  OK   100   100   - 100
 
    Peak 439 from c13no.peaks (1.45, 4.13, 55.31 ppm; 2.83 A):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ALA  102 + HA    ALA  102  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 440 from c13no.peaks (4.13, 1.45, 18.62 ppm; 2.56 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    ALA  102 + QB    ALA  102  OK   100   100 100 100  2.1-2.1   2.1=100
      HA    GLU   99 - QB    ALA  102  far    0    85   0   -  3.0-3.5
      HA    PRO   98 - QB    ALA  102  far    0    60   0   -  3.9-4.4
    Violated in 0 structures by 0.00 A.
 
    Peak 441 from c13no.peaks (1.45, 1.45, 18.62 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QB    ALA  102 + QB    ALA  102  OK   100   100   - 100
      QB    ALA   42 + QB    ALA   42  OK    66    66   - 100
 
    Peak 442 from c13no.peaks (4.18, 4.18, 58.27 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    ARG  103 + HA    ARG  103  OK   100   100   - 100
      HA    LEU   86 + HA    LEU   86  OK    66    66   - 100
 
    Peak 443 from c13no.peaks (2.00, 4.18, 58.27 ppm; 2.99 A):
    1 out of 7 assignments used, quality = 1.00:
    * HB2   ARG  103 + HA    ARG  103  OK   100   100 100 100  2.4-3.0   3.0=100
      QB    GLN   82 - HA    LEU   86  far    0    69   0   -  6.9-8.0
      HB2   GLU   81 - HA    LEU   86  far    0    54   0   -  9.2-10.6
      HB3   PRO  126 - HA    ARG  103  far    0    93   0   -  9.2-20.5
      HG    LEU   93 - HA    ARG  103  far    0   100   0   -  9.3-11.8
      QB    ARG  123 - HA    ARG  103  far    0    78   0   -  9.4-11.3
      HG    LEU   93 - HA    LEU   86  far    0    69   0   -  9.7-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 444 from c13no.peaks (1.92, 4.18, 58.27 ppm; 3.27 A):
    1 out of 7 assignments used, quality = 1.00:
    * HB3   ARG  103 + HA    ARG  103  OK   100   100 100 100  2.6-3.0   3.0=100
      HB3   PRO  112 - HA    LEU   86  far    0    67   0   -  6.3-7.4
      HG    LEU  122 - HA    ARG  103  far    0    85   0   -  7.2-8.0
      HB2   LEU   93 - HA    LEU   86  far    0    58   0   -  8.8-11.0
      HG    LEU  118 - HA    ARG  103  far    0    85   0   -  9.0-9.7
      HB3   GLU   81 - HA    LEU   86  far    0    43   0   -  9.2-10.8
      HB3   GLU  125 - HA    ARG  103  far    0    83   0   -  9.3-16.7
    Violated in 0 structures by 0.00 A.
 
    Peak 445 from c13no.peaks (3.24, 4.18, 58.27 ppm; 3.92 A):
    1 out of 4 assignments used, quality = 1.00:
    * QD    ARG  103 + HA    ARG  103  OK   100   100 100 100  2.0-2.5   3552=99, 2.5/3544=74, 3560/3.0=49, 3561/3.6=41...(14)
      QD    ARG  124 - HA    ARG  103  far    0    76   0   -  7.5-15.8
      HD2   ARG  108 - HA    ARG  103  far    0    65   0   -  8.3-10.0
      HD3   PRO   97 - HA    ARG  103  far    0    99   0   -  9.6-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 446 from c13no.peaks (4.18, 2.00, 31.19 ppm; 3.58 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    ARG  103 + HB2   ARG  103  OK   100   100 100 100  2.4-3.0   3.0=100
      HA    LEU  118 - HB2   ARG  103  far    0    97   0   -  7.7-9.2
      HA    PRO   98 - HB2   ARG  103  far    0    81   0   -  7.7-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 447 from c13no.peaks (2.00, 2.00, 31.19 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   ARG  103 + HB2   ARG  103  OK   100   100   - 100
 
    Peak 448 from c13no.peaks (1.83, 2.00, 31.19 ppm; 2.59 A):
    1 out of 4 assignments used, quality = 0.88:
    * HG2   ARG  103 + HB2   ARG  103  OK    88   100 100  88  2.3-2.4   3.0=66, 3564/4.0=16, ~3544=15, ~3552=10...(12)
      HB2   LEU  122 - HB2   ARG  103  far    0    92   0   -  4.9-6.1
      HB    ILE  100 - HB2   ARG  103  far    0    87   0   -  5.0-6.3
      HG2   ARG  123 - HB2   ARG  103  far    0    97   0   -  7.4-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 449 from c13no.peaks (3.24, 2.00, 31.19 ppm; 3.66 A):
    1 out of 4 assignments used, quality = 1.00:
    * QD    ARG  103 + HB2   ARG  103  OK   100   100 100 100  2.3-3.3   3.3=100
      QD    ARG  124 - HB2   ARG  103  far    0    76   0   -  6.3-14.0
      HD3   PRO   97 - HB2   ARG  103  far    0    99   0   -  7.0-8.4
      HD2   ARG  108 - HB2   ARG  103  far    0    65   0   -  9.7-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 450 from c13no.peaks (3.80, 3.80, 65.63 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    VAL  104 + HA    VAL  104  OK   100   100   - 100
 
    Peak 451 from c13no.peaks (1.97, 3.80, 65.63 ppm; 3.58 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB    VAL  104 + HA    VAL  104  OK   100   100 100 100  2.3-2.4   3.0=100
      HB2   PRO  109 - HA    VAL  104  far    0    71   0   -  5.8-6.4
      HB3   GLN  101 - HA    VAL  104  far    0    92   0   -  7.6-8.0
      QB    ARG  123 - HA    VAL  104  far    0    99   0   -  9.0-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 452 from c13no.peaks (0.87, 3.80, 65.63 ppm; 2.92 A):
    1 out of 5 assignments used, quality = 1.00:
    * QQG   VAL  104 + HA    VAL  104  OK   100   100 100 100  2.3-2.3   2.3=100
      QD1   LEU  122 - HA    VAL  104  far    0   100   0   -  3.5-4.2
      QG2   ILE  100 - HA    VAL  104  far    0    63   0   -  4.6-5.0
      QD2   LEU  122 - HA    VAL  104  far    0   100   0   -  5.6-6.4
      QD1   ILE  100 - HA    VAL  104  far    0    99   0   -  6.1-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 454 from c13no.peaks (3.80, 1.97, 32.55 ppm; 3.39 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    VAL  104 + HB    VAL  104  OK   100   100 100 100  2.3-2.4   3.0=100
      HD2   PRO   97 - HB3   PRO   98  far    0    53   0   -  8.2-8.2
      HD2   PRO   97 - HB    VAL  104  far    0    81   0   -  8.5-9.1
      HA2   GLY   94 - HB    VAL  104  far    0    98   0   -  8.9-9.5
      HA2   GLY   94 - HB3   PRO   98  far    0    70   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 455 from c13no.peaks (1.97, 1.97, 32.55 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB    VAL  104 + HB    VAL  104  OK   100   100   - 100
      HB3   PRO   98 + HB3   PRO   98  OK    49    49   - 100
 
    Peak 456 from c13no.peaks (0.87, 1.97, 32.55 ppm; 2.86 A):
    1 out of 9 assignments used, quality = 1.00:
    * QQG   VAL  104 + HB    VAL  104  OK   100   100 100 100  1.9-1.9   1.9=100
      QG2   ILE  100 - HB    VAL  104  far    0    63   0   -  3.0-3.5
      QD1   LEU  122 - HB    VAL  104  far    0   100   0   -  3.4-3.9
      QD1   ILE  100 - HB    VAL  104  far    0    99   0   -  5.1-5.8
      QD2   LEU  122 - HB    VAL  104  far    0   100   0   -  5.2-6.0
      QQG   VAL  104 - HB3   PRO   98  far    0    74   0   -  8.1-8.3
      QG2   ILE  100 - HB3   PRO   98  far    0    39   0   -  8.3-8.5
      QD1   ILE  100 - HB3   PRO   98  far    0    71   0   -  8.8-9.1
      QD2   LEU  122 - HB3   PRO   98  far    0    73   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 458 from c13no.peaks (3.97, 3.97, 59.38 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLN  105 + HA    GLN  105  OK   100   100   - 100
 
    Peak 459 from c13no.peaks (2.09, 3.97, 59.38 ppm; 2.91 A):
    1 out of 4 assignments used, quality = 1.00:
    * QB    GLN  105 + HA    GLN  105  OK   100   100 100 100  2.4-2.5   2.5=100
      HG2   PRO  109 - HA    GLN  105  far    0    97   0   -  6.2-7.2
      QB    GLU  114 - HA    GLN  105  far    0    85   0   -  8.8-9.7
      HB2   LEU  118 - HA    GLN  105  far    0    68   0   -  8.9-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 460 from c13no.peaks (2.40, 3.97, 59.38 ppm; 3.22 A):
    1 out of 2 assignments used, quality = 0.97:
    * QG    GLN  105 + HA    GLN  105  OK    97   100 100  97  2.6-3.0   3.3=89, 3605/3.0=40, ~1216=25, 2.3/517=23
      HG2   GLN  101 - HA    GLN  105  far    0    68   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 461 from c13no.peaks (3.97, 2.09, 28.70 ppm; 3.09 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    GLN  105 + QB    GLN  105  OK   100   100 100 100  2.4-2.5   2.5=100
      QA    GLY  106 - QB    GLN  105  far    0    78   0   -  3.6-3.7
      QA    GLY  127 - QB    GLN  105  far    0    99   0   -  9.6-20.6
    Violated in 0 structures by 0.00 A.
 
    Peak 462 from c13no.peaks (2.09, 2.09, 28.70 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLN  105 + QB    GLN  105  OK   100   100   - 100
 
    Peak 463 from c13no.peaks (2.40, 2.09, 28.70 ppm; 2.84 A):
    1 out of 3 assignments used, quality = 1.00:
    * QG    GLN  105 + QB    GLN  105  OK   100   100 100 100  1.9-2.0   2.1=100
      HG2   GLN  101 - QB    GLN  105  far    0    68   0   -  6.0-7.0
      HB2   PRO   98 - QB    GLN  105  far    0   100   0   -  8.8-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 464 from c13no.peaks (3.95, 3.95, 46.37 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QA    GLY  106 + QA    GLY  106  OK   100   100   - 100
      QA    GLY  121 + QA    GLY  121  OK    43    43   - 100
 
    Peak 465 from c13no.peaks (4.33, 4.33, 55.72 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HA    GLN  107 + HA    GLN  107  OK   100   100   - 100
      HA    ALA   61 + HA    ALA   61  OK    91    91   - 100
      HA    ARG  108 + HA    ARG  108  OK    54    54   - 100
 
    Peak 466 from c13no.peaks (2.30, 4.33, 55.72 ppm; 3.11 A):
    2 out of 5 assignments used, quality = 1.00:
    * QB    GLN  107 + HA    GLN  107  OK   100   100 100 100  2.2-2.5   2.5=100
      HB2   GLN   64 + HA    ALA   61  OK    30    84  45  81  2.9-3.5   264/71=30, 3.0/2349=27, 2330=27, 3.0/2329=17...(7)
      QB    GLN  107 - HA    ARG  108  far    0    61   0   -  4.2-5.0
      HB    VAL   88 - HA    ALA   61  far    0    67   0   -  7.4-10.7
      HG3   GLU  114 - HA    ARG  108  far    0    30   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 467 from c13no.peaks (2.44, 4.33, 55.72 ppm; 3.54 A):
    1 out of 3 assignments used, quality = 1.00:
    * QG    GLN  107 + HA    GLN  107  OK   100   100 100 100  2.2-3.4   3.4=100
      QG    GLN  107 - HA    ARG  108  far    5    61   8   -  3.6-6.2
      HG3   GLN   59 - HA    ALA   61  far    0    91   0   -  8.8-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 468 from c13no.peaks (4.33, 2.30, 29.57 ppm; 3.67 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLN  107 + QB    GLN  107  OK   100   100 100 100  2.2-2.5   2.5=100
      HA    ARG  108 - QB    GLN  107  far    0    96   0   -  4.2-5.0
      HA    LEU  122 - QB    GLN  107  far    0    89   0   -  8.3-9.2
      HB2   SER  111 - QB    GLN  107  far    0    87   0   -  9.5-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 469 from c13no.peaks (2.30, 2.30, 29.57 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLN  107 + QB    GLN  107  OK   100   100   - 100
 
    Peak 470 from c13no.peaks (2.44, 2.30, 29.57 ppm; 3.26 A):
    1 out of 1 assignment used, quality = 1.00:
    * QG    GLN  107 + QB    GLN  107  OK   100   100 100 100  2.0-2.0   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 471 from c13no.peaks (4.46, 4.46, 62.99 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO  109 + HA    PRO  109  OK   100   100   - 100
 
    Peak 472 from c13no.peaks (1.99, 4.46, 62.99 ppm; 3.51 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB2   PRO  109 + HA    PRO  109  OK   100   100 100 100  2.3-2.3   2.3=100
      HB    VAL  104 - HA    PRO  109  far    0    71   0   -  7.4-8.0
      HG    LEU   93 - HA    PRO  109  far    0    99   0   -  7.9-9.3
      HB2   GLU  113 - HA    PRO  109  far    0    68   0   -  8.5-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 473 from c13no.peaks (2.10, 4.46, 62.99 ppm; 3.70 A):
    1 out of 5 assignments used, quality = 0.97:
      QB    GLU  114 + HA    PRO  109  OK    97    99 100  98  3.0-3.2   3856=65, 477/2.3=51, 2.5/3867=44, 3857/553=38...(9)
    ! HG2   PRO  109 - HA    PRO  109  far    0   100   0   -  3.9-4.0
      HB2   LEU  118 - HA    PRO  109  far    0    92   0   -  6.2-6.7
      QB    GLN  105 - HA    PRO  109  far    0    97   0   -  9.1-9.8
      QB    GLU   85 - HA    PRO  109  far    0    89   0   -  9.9-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 474 from c13no.peaks (3.66, 4.46, 62.99 ppm; 4.96 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO  109 + HA    PRO  109  OK   100   100 100 100  4.1-4.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 475 from c13no.peaks (4.46, 1.99, 32.18 ppm; 3.61 A):
    2 out of 2 assignments used, quality = 1.00:
    * HA    PRO  109 + HB2   PRO  109  OK   100   100 100 100  2.3-2.3   2.3=100
      HA    PRO  126 + HB3   PRO  126  OK    66    66 100 100  2.3-2.3   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 476 from c13no.peaks (1.99, 1.99, 32.18 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   PRO  109 + HB2   PRO  109  OK   100   100   - 100
      HB3   PRO  126 + HB3   PRO  126  OK    95    95   - 100
 
    Peak 477 from c13no.peaks (2.10, 1.99, 32.18 ppm; 2.54 A):
    2 out of 8 assignments used, quality = 0.88:
      QB    GLU  114 + HB2   PRO  109  OK    74    99 100  75  2.1-2.5   473/2.3=29, 1282/3704=23, 3880/3689=19, 3857/3702=12...(9)
    * HG2   PRO  109 + HB2   PRO  109  OK    55   100  55 100  2.3-3.0   2.3=100
      HB2   LEU  118 - HB2   PRO  109  far    0    92   0   -  4.9-5.3
      HG3   PRO   40 - HB3   PRO  426  far    0    97   0   -  7.5-50.6
      HB2   LEU  118 - HB3   PRO  126  far    0    88   0   -  8.5-19.6
      HB2   PRO  112 - HB2   PRO  109  far    0    99   0   -  8.9-9.2
      QB    GLN  105 - HB2   PRO  109  far    0    97   0   -  8.9-9.7
      QB    GLU   85 - HB2   PRO  109  far    0    89   0   -  9.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 478 from c13no.peaks (3.66, 1.99, 32.18 ppm; 4.36 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO  109 + HB2   PRO  109  OK   100   100 100 100  3.9-3.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 480 from c13no.peaks (3.82, 4.28, 45.43 ppm; 2.90 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA3   GLY  110 + HA2   GLY  110  OK   100   100 100 100  1.8-1.8   1.8=100
      HD3   PRO  112 - HA2   GLY  110  far    0    95   0   -  6.3-6.6
      HA    VAL  104 - HA2   GLY  110  far    0    78   0   -  9.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 481 from c13no.peaks (4.28, 3.82, 45.43 ppm; 2.93 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA2   GLY  110 + HA3   GLY  110  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   SER  111 - HA3   GLY  110  far    0    60   0   -  4.9-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 482 from c13no.peaks (3.82, 3.82, 45.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA3   GLY  110 + HA3   GLY  110  OK   100   100   - 100
 
    Peak 483 from c13no.peaks (3.98, 3.98, 66.42 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO  112 + HA    PRO  112  OK   100   100   - 100
 
    Peak 484 from c13no.peaks (2.10, 3.98, 66.42 ppm; 3.65 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB2   PRO  112 + HA    PRO  112  OK   100   100 100 100  2.7-2.7   2.3=100
      QB    GLU  114 - HA    PRO  112  far    0    90   0   -  5.0-5.5
      HG2   PRO  109 - HA    PRO  112  far    0    99   0   -  5.3-6.1
      QB    GLU   85 - HA    PRO  112  far    0    71   0   -  5.4-6.1
      HB3   PRO   58 - HA    PRO  112  far    0    76   0   -  8.1-8.6
      QB    GLN   59 - HA    PRO  112  far    0    96   0   -  9.1-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 485 from c13no.peaks (2.54, 3.98, 66.42 ppm; 4.65 A):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   PRO  112 + HA    PRO  112  OK   100   100 100 100  4.0-4.0   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 486 from c13no.peaks (3.98, 2.10, 32.80 ppm; 3.52 A):
    1 out of 8 assignments used, quality = 1.00:
    * HA    PRO  112 + HB2   PRO  112  OK   100   100 100 100  2.7-2.7   2.3=100
      HA    PHE   92 - HB2   PRO  112  far    0    95   0   -  6.2-7.2
      HA    GLN   59 - HB2   PRO  112  far    0    73   0   -  6.5-7.6
      HB3   SER  111 - HB2   PRO  112  far    0    93   0   -  6.7-7.0
      HA    GLN   91 - HB2   PRO  112  far    0    97   0   -  8.7-9.4
      HA    ARG   46 - HB3   PRO   38  far    0    87   0   -  8.7-10.7
      HA    GLN   82 - HB2   PRO  112  far    0    65   0   -  9.0-10.4
      HA    GLN   71 - HB3   PRO   38  far    0    87   0   -  9.3-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 487 from c13no.peaks (2.10, 2.10, 32.80 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   PRO  112 + HB2   PRO  112  OK   100   100   - 100
      HB3   PRO   38 + HB3   PRO   38  OK    70    70   - 100
 
    Peak 488 from c13no.peaks (2.54, 2.10, 32.80 ppm; 3.71 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   PRO  112 + HB2   PRO  112  OK   100   100 100 100  2.7-2.7   2.3=100
      HB3   CYS   69 - HB2   PRO  112  far    0    63   0   -  9.1-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 489 from c13no.peaks (3.80, 3.80, 61.11 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLU  113 + HA    GLU  113  OK   100   100   - 100
      HA    ARG   66 + HA    ARG   66  OK    58    58   - 100
 
    Peak 490 from c13no.peaks (2.02, 3.80, 61.11 ppm; 3.38 A):
    1 out of 8 assignments used, quality = 1.00:
    * HB2   GLU  113 + HA    GLU  113  OK   100   100 100 100  2.9-3.0   3.0=100
      HG    LEU   68 - HA    ARG   66  far    0    37   0   -  6.8-8.1
      HB2   GLU   81 - HA    ARG   66  far    0    57   0   -  7.3-9.2
      HB2   PRO  109 - HA    GLU  113  far    0    68   0   -  7.8-7.9
      HG    LEU   93 - HA    GLU  113  far    0    83   0   -  7.9-11.4
      HB2   GLU   81 - HA    GLU  113  far    0   100   0   -  8.5-10.0
      QB    GLN   82 - HA    ARG   66  far    0    44   0   -  9.2-10.2
      HB2   GLU  113 - HA    ARG   66  far    0    58   0   -  9.5-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 491 from c13no.peaks (2.22, 3.80, 61.11 ppm; 3.39 A):
    1 out of 7 assignments used, quality = 1.00:
    * HG3   GLU  113 + HA    GLU  113  OK   100   100 100 100  2.2-3.1   1431=100, 3850/3.0=60, 1267/2.9=42, ~1266=28...(14)
      HG3   PRO   58 - HA    GLU  113  far    0    60   0   -  6.8-8.2
      HG3   GLU   67 - HA    ARG   66  far    0    26   0   -  7.0-7.2
      HG3   GLU   81 - HA    ARG   66  far    0    57   0   -  7.1-9.6
      HB2   MET   83 - HA    ARG   66  far    0    57   0   -  7.3-8.9
      HG3   GLU  113 - HA    ARG   66  far    0    58   0   -  8.9-10.2
      HG3   GLU   81 - HA    GLU  113  far    0   100   0   - 10.0-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 492 from c13no.peaks (2.46, 3.80, 61.11 ppm; 3.70 A):
    1 out of 7 assignments used, quality = 1.00:
    * HG2   GLU  113 + HA    GLU  113  OK   100   100 100 100  2.4-2.8   3.6=100
      HG3   GLN   59 - HA    GLU  113  far    0    90   0   -  5.1-7.5
      HG2   GLU  113 - HA    ARG   66  far    0    58   0   -  7.7-9.1
      HG3   GLN   71 - HA    ARG   66  far    0    47   0   -  7.9-9.7
      HG3   GLN   64 - HA    ARG   66  far    0    46   0   -  8.7-9.1
      QG    GLN   82 - HA    ARG   66  far    0    41   0   -  9.3-10.9
      QB    GLU   90 - HA    ARG   66  far    0    56   0   -  9.5-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 493 from c13no.peaks (3.80, 2.02, 29.02 ppm; 3.29 A):
    1 out of 13 assignments used, quality = 1.00:
    * HA    GLU  113 + HB2   GLU  113  OK   100   100 100 100  2.9-3.0   3.0=100
      HD2   PRO  126 - QB    GLU   99  far    0    36   0   -  5.5-15.1
      HD3   PRO  112 - HB2   GLU  113  far    0    99   0   -  5.5-5.9
      HA    LYS   80 - HB2   GLU   81  far    0    64   0   -  6.0-6.6
      HD2   PRO   97 - QB    GLU   99  far    0    42   0   -  6.1-7.0
      HD3   PRO  112 - HB2   GLU   81  far    0    64   0   -  7.1-9.4
      HA    ARG   66 - HB2   GLU   81  far    0    67   0   -  7.3-9.2
      HA    LEU   62 - HB2   GLU  113  far    0    89   0   -  7.7-9.0
      HA    GLU  113 - HB2   GLU   81  far    0    67   0   -  8.5-10.0
      HA3   GLY  110 - HB2   GLU  113  far    0    81   0   -  8.9-9.4
      HA    VAL  104 - QB    GLU   99  far    0    59   0   -  9.4-10.0
      HA    ARG   66 - HB2   GLU  113  far    0   100   0   -  9.5-11.4
      HA    LEU   62 - HB2   GLU   81  far    0    53   0   -  9.6-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 494 from c13no.peaks (2.02, 2.02, 29.02 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HB2   GLU  113 + HB2   GLU  113  OK   100   100   - 100
      HB2   GLU   81 + HB2   GLU   81  OK    66    66   - 100
      QB    GLU   99 + QB    GLU   99  OK    28    28   - 100
 
    Peak 495 from c13no.peaks (2.22, 2.02, 29.02 ppm; 3.01 A increased from 2.83 A):
    2 out of 6 assignments used, quality = 1.00:
    * HG3   GLU  113 + HB2   GLU  113  OK   100   100 100 100  2.9-3.0   3.0=100
      HG3   GLU   81 + HB2   GLU   81  OK    66    66 100 100  2.4-3.0   3.0=100
      HG3   GLU  113 - HB2   GLU   81  far    0    67   0   -  6.2-8.4
      HB2   MET   83 - HB2   GLU   81  far    0    66   0   -  7.6-8.8
      HG3   GLU   81 - HB2   GLU  113  far    0   100   0   -  8.0-10.6
      HG3   PRO   58 - HB2   GLU  113  far    0    60   0   -  9.6-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 496 from c13no.peaks (2.46, 2.02, 29.02 ppm; 3.09 A):
    1 out of 5 assignments used, quality = 1.00:
    * HG2   GLU  113 + HB2   GLU  113  OK   100   100 100 100  2.3-2.8   3.0=100
      QG    GLN   82 - HB2   GLU   81  far    0    49   0   -  4.3-7.4
      HG2   GLU  113 - HB2   GLU   81  far    0    67   0   -  6.0-7.4
      HG3   GLN   59 - HB2   GLU  113  far    0    90   0   -  7.3-10.0
      QG    GLN   82 - HB2   GLU  113  far    0    83   0   -  9.5-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 501 from c13no.peaks (4.09, 4.09, 59.29 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    GLU  114 + HA    GLU  114  OK   100   100   - 100
      HA    TYR   52 + HA    TYR   52  OK    59    59   - 100
 
    Peak 502 from c13no.peaks (2.27, 4.09, 59.29 ppm; 3.23 A):
    1 out of 9 assignments used, quality = 0.99:
    * HG3   GLU  114 + HA    GLU  114  OK    99   100 100  99  2.5-3.0   1446=80, 1.8/504=55, 3864/3.0=41, 3865/3.6=27...(9)
      QG    GLU   54 - HA    TYR   52  far    0    67   0   -  5.8-6.5
      HB2   GLN   64 - HA    TYR   52  far    0    60   0   -  7.1-7.6
      QB    GLN  107 - HA    GLU  114  far    0    60   0   -  7.4-8.4
      HG2   PRO   97 - HA    TYR   52  far    0    59   0   -  7.7-9.4
      HB    VAL  119 - HA    GLU  114  far    0   100   0   -  7.8-10.0
      HB    VAL  119 - HA    TYR   52  far    0    69   0   -  7.9-9.2
      HG2   PRO   58 - HA    TYR   52  far    0    65   0   -  8.4-9.1
      HG2   PRO   58 - HA    GLU  114  far    0    98   0   -  8.7-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 503 from c13no.peaks (2.11, 4.09, 59.29 ppm; 3.09 A):
    1 out of 11 assignments used, quality = 1.00:
    * QB    GLU  114 + HA    GLU  114  OK   100   100 100 100  2.3-2.4   2.5=100
      HG2   PRO  109 - HA    GLU  114  far    0    99   0   -  5.8-6.6
      HB2   LEU  118 - HA    GLU  114  far    0    99   0   -  6.4-6.8
      HB2   GLU   60 - HA    TYR   52  far    0    61   0   -  6.8-8.5
      HG3   PRO   97 - HA    TYR   52  far    0    59   0   -  7.4-8.7
      HB2   PRO  112 - HA    GLU  114  far    0    90   0   -  7.5-7.8
      HB3   GLN   64 - HA    TYR   52  far    0    38   0   -  8.4-9.0
      QB    GLN   59 - HA    GLU  114  far    0   100   0   -  8.6-9.8
      QB    GLU   85 - HA    GLU  114  far    0    98   0   -  8.7-9.3
      QB    GLN   59 - HA    TYR   52  far    0    68   0   -  9.4-9.7
      QG    GLU   90 - HA    GLU  414  far    0    68   0   -  9.5-48.6
    Violated in 0 structures by 0.00 A.
 
    Peak 504 from c13no.peaks (2.39, 4.09, 59.29 ppm; 3.75 A increased from 3.34 A):
    1 out of 5 assignments used, quality = 0.97:
    * HG2   GLU  114 + HA    GLU  114  OK    97   100  98 100  3.7-3.9   1444=91, 1.8/502=87, 3869/3.0=62, 3870/3.6=36...(8)
      HB2   PRO   58 - HA    TYR   52  far    0    68   0   -  7.2-7.9
      HG2   GLU   60 - HA    TYR   52  far    0    56   0   -  7.6-8.8
      HB2   PRO   58 - HA    GLU  114  far    0   100   0   -  7.8-8.1
      HG2   GLN  101 - HA    TYR   52  far    0    56   0   -  9.4-10.1
    Violated in 2 structures by 0.01 A.
 
    Peak 509 from c13no.peaks (4.09, 2.11, 30.97 ppm; 3.33 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    GLU  114 + QB    GLU  114  OK   100   100 100 100  2.3-2.4   2.5=100
      HA    GLU   85 - QB    GLU  114  far    0    93   0   -  8.2-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 510 from c13no.peaks (2.27, 2.11, 30.97 ppm; 3.06 A):
    1 out of 6 assignments used, quality = 1.00:
    * HG3   GLU  114 + QB    GLU  114  OK   100   100 100 100  2.4-2.5   2.5=100
      QB    GLN  107 - QB    GLU  114  far    0    60   0   -  5.4-6.3
      HB    VAL  119 - QB    GLU  114  far    0   100   0   -  7.7-9.5
      HB2   LEU   89 - QB    GLU  114  far    0   100   0   -  7.7-8.7
      HG3   GLU   85 - QB    GLU  114  far    0    97   0   -  9.0-10.0
      HG2   PRO   58 - QB    GLU  114  far    0    98   0   -  9.3-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 511 from c13no.peaks (2.11, 2.11, 30.97 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    GLU  114 + QB    GLU  114  OK   100   100   - 100
 
    Peak 512 from c13no.peaks (2.39, 2.11, 30.97 ppm; 3.26 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG2   GLU  114 + QB    GLU  114  OK   100   100 100 100  2.1-2.2   2.5=100
      HB2   PRO   58 - QB    GLU  114  far    0   100   0   -  8.2-8.5
      HG2   GLU   85 - QB    GLU  114  far    0   100   0   -  8.4-10.8
      QG    GLN  105 - QB    GLU  114  far    0    97   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 513 from c13no.peaks (3.94, 3.94, 55.53 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    ALA  115 + HA    ALA  115  OK   100   100   - 100
      HA    ALA  116 + HA    ALA  116  OK    88    88   - 100
 
    Peak 514 from c13no.peaks (1.41, 3.94, 55.53 ppm; 3.10 A):
    1 out of 5 assignments used, quality = 1.00:
    * QB    ALA  115 + HA    ALA  115  OK   100   100 100 100  2.1-2.1   2.1=100
      QB    ALA  115 - HA    ALA  116  far    0    95   0   -  3.8-3.9
      HG    LEU   62 - HA    ALA  116  far    0    88   0   -  4.8-5.8
      HG    LEU   62 - HA    ALA  115  far    0    96   0   -  8.1-8.5
      HB3   LEU   45 - HA    ALA  415  far    0    92   0   -  9.2-53.3
    Violated in 0 structures by 0.00 A.
 
    Peak 515 from c13no.peaks (3.94, 1.41, 18.89 ppm; 2.89 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    ALA  115 + QB    ALA  115  OK   100   100 100 100  2.1-2.1   2.1=100
      HA    ALA  116 - QB    ALA  115  far    0    96   0   -  3.8-3.9
      HA    LEU   89 - QB    ALA  115  far    0   100   0   -  4.4-4.8
      HA    GLN   59 - QB    ALA  115  far    0    85   0   -  7.2-7.9
      QA    GLY  106 - QB    ALA  115  far    0    92   0   -  8.4-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 516 from c13no.peaks (1.41, 1.41, 18.89 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ALA  115 + QB    ALA  115  OK   100   100   - 100
 
    Peak 517 from c13no.peaks (3.92, 3.92, 55.56 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    ALA  116 + HA    ALA  116  OK   100   100   - 100
      HA    ALA  115 + HA    ALA  115  OK    88    88   - 100
 
    Peak 518 from c13no.peaks (1.25, 3.92, 55.56 ppm; 3.09 A):
    1 out of 2 assignments used, quality = 1.00:
    * QB    ALA  116 + HA    ALA  116  OK   100   100 100 100  2.1-2.1   2.1=100
      QB    ALA  116 - HA    ALA  115  far    0    95   0   -  5.0-5.0
    Violated in 0 structures by 0.00 A.
 
    Peak 519 from c13no.peaks (3.92, 1.25, 18.25 ppm; 2.89 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    ALA  116 + QB    ALA  116  OK   100   100 100 100  2.1-2.1   2.1=100
      HA    ALA  115 - QB    ALA  116  far    0    96   0   -  5.0-5.0
      HA    LEU   89 - QB    ALA  116  far    0    97   0   -  6.4-6.9
      HA    LEU   65 - QB    ALA  116  far    0    99   0   -  9.4-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 520 from c13no.peaks (1.25, 1.25, 18.25 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ALA  116 + QB    ALA  116  OK   100   100   - 100
 
    Peak 521 from c13no.peaks (4.24, 4.24, 55.12 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    ALA  117 + HA    ALA  117  OK   100   100   - 100
      HA    GLU   53 + HA    GLU   53  OK    96    96   - 100
 
    Peak 522 from c13no.peaks (1.52, 4.24, 55.12 ppm; 2.83 A):
    1 out of 4 assignments used, quality = 1.00:
    * QB    ALA  117 + HA    ALA  117  OK   100   100 100 100  2.1-2.1   2.1=100
      HB2   LEU   96 - HA    GLU   53  far    0    75   0   -  9.4-10.2
      HB2   ARG   44 - HA    ALA  417  far    0    83   0   -  9.7-56.8
      QB    ALA   63 - HA    ALA  117  far    0    65   0   -  9.8-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 523 from c13no.peaks (4.24, 1.52, 18.31 ppm; 2.57 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    ALA  117 + QB    ALA  117  OK   100   100 100 100  2.1-2.1   2.1=100
      HA    GLU   60 - QB    ALA   63  far    6    49  13   -  2.5-3.0
      HA    GLU   67 - QB    ALA   63  far    0    31   0   -  6.3-6.8
      HA    THR   56 - QB    ALA   63  far    0    57   0   -  8.2-9.1
      HA    ALA  117 - QB    ALA   63  far    0    64   0   -  9.8-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 524 from c13no.peaks (1.52, 1.52, 18.31 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QB    ALA  117 + QB    ALA  117  OK   100   100   - 100
      QB    ALA   63 + QB    ALA   63  OK    35    35   - 100
 
    Peak 525 from c13no.peaks (4.19, 4.19, 57.59 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU  118 + HA    LEU  118  OK   100   100   - 100
 
    Peak 526 from c13no.peaks (2.12, 4.19, 57.59 ppm; 3.70 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   LEU  118 + HA    LEU  118  OK   100   100 100 100  2.2-2.3   3.0=100
      QB    GLU  114 - HA    LEU  118  far    0    99   0   -  6.7-7.1
      HG2   PRO  109 - HA    LEU  118  far    0    92   0   -  7.3-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 527 from c13no.peaks (1.47, 4.19, 57.59 ppm; 3.60 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   LEU  118 + HA    LEU  118  OK   100   100 100 100  2.6-2.7   3.0=100
      QB    ALA   42 - HA    LEU  418  far    0    76   0   -  8.8-23.8
    Violated in 0 structures by 0.00 A.
 
    Peak 528 from c13no.peaks (1.93, 4.19, 57.59 ppm; 3.68 A increased from 3.46 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU  118 + HA    LEU  118  OK   100   100 100 100  3.6-3.6   888=81, 2.1/530=71, 3912/2.9=57, ~1305=32...(11)
      HG    LEU  122 - HA    LEU  118  far    0   100   0   -  5.0-5.1
      HB3   ARG  103 - HA    LEU  118  far    0    87   0   -  6.7-8.3
      HB3   GLU  125 - HA    LEU  118  far    0   100   0   -  7.4-13.5
    Violated in 0 structures by 0.00 A.
 
    Peak 529 from c13no.peaks (0.93, 4.19, 57.59 ppm; 3.56 A increased from 2.99 A):
    1 out of 3 assignments used, quality = 0.88:
      QD2   LEU  118 + HA    LEU  118  OK    88    89 100  99  3.3-3.5   3.8=82, 2.1/528=64, 3916/2.9=49, ~3921=29...(10)
    ! QD1   LEU  118 - HA    LEU  118  far    0   100   0   -  4.1-4.1
      QD1   LEU   93 - HA    LEU  118  far    0   100   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 530 from c13no.peaks (0.91, 4.19, 57.59 ppm; 3.56 A increased from 2.99 A):
    1 out of 4 assignments used, quality = 0.99:
    * QD2   LEU  118 + HA    LEU  118  OK    99   100 100  99  3.3-3.5   3.8=82, 2.1/528=64, 1305/2.9=59, ~3921=29...(10)
      QD1   LEU  118 - HA    LEU  118  far    0    89   0   -  4.1-4.1
      QG2   ILE  100 - HA    LEU  118  far    0    92   0   -  6.3-6.8
      QD1   LEU   93 - HA    LEU  118  far    0    83   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 531 from c13no.peaks (4.19, 2.12, 43.00 ppm; 4.16 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    LEU  118 + HB2   LEU  118  OK   100   100 100 100  2.2-2.3   3.0=100
      HA    ARG  103 - HB2   LEU  118  far    0    97   0   -  8.0-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 532 from c13no.peaks (2.12, 2.12, 43.00 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU  118 + HB2   LEU  118  OK   100   100   - 100
 
    Peak 533 from c13no.peaks (1.47, 2.12, 43.00 ppm; 3.54 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   LEU  118 + HB2   LEU  118  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    ALA   42 - HB2   LEU  418  far    0    76   0   -  8.9-23.6
    Violated in 0 structures by 0.00 A.
 
    Peak 534 from c13no.peaks (1.93, 2.12, 43.00 ppm; 4.01 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU  118 + HB2   LEU  118  OK   100   100 100 100  2.9-2.9   3.0=100
      HG    LEU  122 - HB2   LEU  118  far    0   100   0   -  5.9-6.2
      HB3   ARG  103 - HB2   LEU  118  far    0    87   0   -  6.0-7.8
      HB3   GLU  125 - HB2   LEU  118  far    0   100   0   -  9.0-15.1
    Violated in 0 structures by 0.00 A.
 
    Peak 535 from c13no.peaks (0.93, 2.12, 43.00 ppm; 3.44 A):
    2 out of 3 assignments used, quality = 1.00:
    * QD1   LEU  118 + HB2   LEU  118  OK   100   100 100 100  2.7-2.8   3.1=100
      QD2   LEU  118 + HB2   LEU  118  OK    89    89 100 100  2.1-2.2   3.1=100
      QD1   LEU   93 - HB2   LEU  118  far    0   100   0   -  7.6-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 536 from c13no.peaks (0.91, 2.12, 43.00 ppm; 3.44 A):
    2 out of 4 assignments used, quality = 1.00:
    * QD2   LEU  118 + HB2   LEU  118  OK   100   100 100 100  2.1-2.2   3.1=100
      QD1   LEU  118 + HB2   LEU  118  OK    89    89 100 100  2.7-2.8   3.1=100
      QG2   ILE  100 - HB2   LEU  118  far    0    92   0   -  6.3-6.8
      QD1   LEU   93 - HB2   LEU  118  far    0    83   0   -  7.6-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 537 from c13no.peaks (4.19, 1.47, 43.00 ppm; 3.99 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    LEU  118 + HB3   LEU  118  OK   100   100 100 100  2.6-2.7   3.0=100
      HA    ARG  103 - HB3   LEU  118  far    0    97   0   -  6.9-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 538 from c13no.peaks (2.12, 1.47, 43.00 ppm; 3.34 A):
    1 out of 10 assignments used, quality = 1.00:
    * HB2   LEU  118 + HB3   LEU  118  OK   100   100 100 100  1.8-1.8   1.8=100
      HG2   PRO  109 - HB3   LEU  118  far    0    92   0   -  5.6-7.6
      QB    GLU  114 - HB3   LEU  118  far    0    99   0   -  6.6-6.8
      QB    GLN  105 - HB3   LEU  118  far    0    68   0   -  8.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 539 from c13no.peaks (1.47, 1.47, 43.00 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU  118 + HB3   LEU  118  OK   100   100   - 100
 
    Peak 540 from c13no.peaks (1.93, 1.47, 43.00 ppm; 3.93 A):
    1 out of 6 assignments used, quality = 1.00:
    * HG    LEU  118 + HB3   LEU  118  OK   100   100 100 100  2.7-2.8   3.0=100
      HG    LEU  122 - HB3   LEU  118  far    0   100   0   -  4.5-4.8
      HB3   ARG  103 - HB3   LEU  118  far    0    87   0   -  4.7-6.2
      HB3   GLU  125 - HB3   LEU  118  far    0   100   0   -  8.5-13.8
      HB2   LEU   93 - HB3   LEU  118  far    0   100   0   -  9.7-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 541 from c13no.peaks (0.93, 1.47, 43.00 ppm; 3.27 A):
    2 out of 6 assignments used, quality = 1.00:
    * QD1   LEU  118 + HB3   LEU  118  OK   100   100 100 100  1.9-2.0   3.1=100
      QD2   LEU  118 + HB3   LEU  118  OK    89    89 100 100  3.0-3.1   3.1=100
      QD1   LEU   93 - HB3   LEU  118  far    0   100   0   -  7.3-7.9
      HB3   LEU   96 - HB3   LEU  118  far    0    96   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 542 from c13no.peaks (0.91, 1.47, 43.00 ppm; 3.27 A):
    2 out of 9 assignments used, quality = 1.00:
    * QD2   LEU  118 + HB3   LEU  118  OK   100   100 100 100  3.0-3.1   3.1=100
      QD1   LEU  118 + HB3   LEU  118  OK    89    89 100 100  1.9-2.0   3.1=100
      QG2   ILE  100 - HB3   LEU  118  far    0    92   0   -  4.8-5.3
      QD1   LEU   93 - HB3   LEU  118  far    0    83   0   -  7.3-7.9
      HB3   LEU   96 - HB3   LEU  118  far    0   100   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 543 from c13no.peaks (3.49, 3.49, 67.15 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    VAL  119 + HA    VAL  119  OK   100   100   - 100
 
    Peak 544 from c13no.peaks (2.27, 3.49, 67.15 ppm; 3.98 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB    VAL  119 + HA    VAL  119  OK   100   100 100 100  2.4-3.0   3.0=100
      HG2   PRO   58 - HA    VAL  119  far    0    98   0   -  5.3-6.9
      QG    GLU   54 - HA    VAL  119  far    0    99   0   -  6.0-6.6
      QB    GLN  107 - HA    VAL  119  far    0    60   0   -  6.9-8.4
      HG2   PRO   97 - HA    VAL  119  far    0    93   0   -  7.0-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 545 from c13no.peaks (1.09, 3.49, 67.15 ppm; 3.33 A):
    1 out of 1 assignment used, quality = 1.00:
    * QG1   VAL  119 + HA    VAL  119  OK   100   100 100 100  2.1-2.4   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 546 from c13no.peaks (0.98, 3.49, 67.15 ppm; 3.30 A):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   VAL  119 + HA    VAL  119  OK   100   100 100 100  2.4-3.2   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 547 from c13no.peaks (3.49, 2.27, 32.13 ppm; 4.24 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    VAL  119 + HB    VAL  119  OK   100   100 100 100  2.4-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 548 from c13no.peaks (2.27, 2.27, 32.13 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB    VAL  119 + HB    VAL  119  OK   100   100   - 100
 
    Peak 549 from c13no.peaks (1.09, 2.27, 32.13 ppm; 3.33 A):
    1 out of 1 assignment used, quality = 1.00:
    * QG1   VAL  119 + HB    VAL  119  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 550 from c13no.peaks (0.98, 2.27, 32.13 ppm; 3.26 A):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   VAL  119 + HB    VAL  119  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 551 from c13no.peaks (4.56, 4.56, 57.40 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ASP  120 + HA    ASP  120  OK   100   100   - 100
 
    Peak 552 from c13no.peaks (2.80, 4.56, 57.40 ppm; 3.32 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   ASP  120 + HA    ASP  120  OK   100   100 100 100  2.6-2.7   3.0=100
      QB    TYR   52 - HA    ASP  120  far    0    83   0   -  8.7-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 553 from c13no.peaks (2.72, 4.56, 57.40 ppm; 3.63 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ASP  120 + HA    ASP  120  OK   100   100 100 100  2.9-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 554 from c13no.peaks (4.56, 2.80, 41.55 ppm; 3.35 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    ASP  120 + HB2   ASP  120  OK   100   100 100 100  2.6-2.7   3.0=100
      HA    GLU  125 - HB2   ASP  120  far    0    68   0   -  9.0-13.7
    Violated in 0 structures by 0.00 A.
 
    Peak 555 from c13no.peaks (2.80, 2.80, 41.55 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   ASP  120 + HB2   ASP  120  OK   100   100   - 100
 
    Peak 556 from c13no.peaks (2.72, 2.80, 41.55 ppm; 2.41 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ASP  120 + HB2   ASP  120  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 557 from c13no.peaks (4.56, 2.72, 41.55 ppm; 3.30 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    ASP  120 + HB3   ASP  120  OK   100   100 100 100  2.9-3.0   3.0=100
      HA    GLU  125 - HB3   ASP  120  far    0    68   0   -  7.6-13.3
    Violated in 0 structures by 0.00 A.
 
    Peak 558 from c13no.peaks (2.80, 2.72, 41.55 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   ASP  120 + HB3   ASP  120  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 559 from c13no.peaks (2.72, 2.72, 41.55 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ASP  120 + HB3   ASP  120  OK   100   100   - 100
 
    Peak 561 from c13no.peaks (4.31, 4.31, 56.18 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU  122 + HA    LEU  122  OK   100   100   - 100
 
    Peak 562 from c13no.peaks (1.85, 4.31, 56.18 ppm; 3.06 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   LEU  122 + HA    LEU  122  OK   100   100 100 100  2.5-2.6   3.0=100
      HG2   ARG  103 - HA    LEU  122  far    0    92   0   -  5.2-6.5
      HG2   ARG  123 - HA    LEU  122  far    0    68   0   -  5.5-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 563 from c13no.peaks (1.93, 4.31, 56.18 ppm; 3.79 A increased from 3.19 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU  122 + HA    LEU  122  OK   100   100 100 100  3.7-3.7   2.1/564=74, 1324/3.0=73, 4.3=70, 3989/3.6=44...(18)
      HB3   GLU  125 - HA    LEU  122  lone   0   100  23   0  2.3-9.2
      HB3   ARG  103 - HA    LEU  122  far    0    87   0   -  5.7-7.5
      HG    LEU  118 - HA    LEU  122  far    0   100   0   -  8.2-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 564 from c13no.peaks (0.87, 4.31, 56.18 ppm; 3.56 A increased from 2.84 A):
    1 out of 4 assignments used, quality = 1.00:
      QD2   LEU  122 + HA    LEU  122  OK   100   100 100 100  3.4-3.6   4.0=70, 2.1/563=62, 3991/3.0=45, 1302/3.6=42...(19)
    ! QD1   LEU  122 - HA    LEU  122  far    0   100   0   -  4.1-4.1
      QD1   ILE  100 - HA    LEU  122  far    0    97   0   -  5.4-5.9
      QQG   VAL  104 - HA    LEU  122  far    0   100   0   -  8.0-8.5
    Violated in 2 structures by 0.00 A.
 
    Peak 565 from c13no.peaks (0.87, 4.31, 56.18 ppm; 3.56 A increased from 2.84 A):
    1 out of 4 assignments used, quality = 1.00:
    * QD2   LEU  122 + HA    LEU  122  OK   100   100 100 100  3.4-3.6   4.0=70, 2.1/563=62, 3991/3.0=45, 1302/3.6=42...(19)
      QD1   LEU  122 - HA    LEU  122  far    0   100   0   -  4.1-4.1
      QD1   ILE  100 - HA    LEU  122  far    0    96   0   -  5.4-5.9
      QQG   VAL  104 - HA    LEU  122  far    0   100   0   -  8.0-8.5
    Violated in 2 structures by 0.00 A.
 
    Peak 566 from c13no.peaks (4.31, 1.85, 42.42 ppm; 3.64 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU  122 + HB2   LEU  122  OK   100   100 100 100  2.5-2.6   3.0=100
      HA    ARG  123 - HB2   LEU  122  far    0    90   0   -  5.7-5.8
      HA    GLN  107 - HB2   LEU  122  far    0    89   0   -  8.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 567 from c13no.peaks (1.85, 1.85, 42.42 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU  122 + HB2   LEU  122  OK   100   100   - 100
 
    Peak 568 from c13no.peaks (1.93, 1.85, 42.42 ppm; 3.41 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG    LEU  122 + HB2   LEU  122  OK   100   100 100 100  2.6-2.7   3.0=100
      HB3   ARG  103 - HB2   LEU  122  far    0    87   0   -  3.7-5.7
      HB3   GLU  125 - HB2   LEU  122  far    0   100   0   -  4.6-11.0
      HG    LEU  118 - HB2   LEU  122  far    0   100   0   -  6.0-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 569 from c13no.peaks (0.87, 1.85, 42.42 ppm; 3.11 A):
    2 out of 4 assignments used, quality = 1.00:
    * QD1   LEU  122 + HB2   LEU  122  OK   100   100 100 100  2.0-2.2   3.1=98, 4013/1.8=73, 1329/1326=41, 4006/1882=27...(13)
      QD2   LEU  122 + HB2   LEU  122  OK   100   100 100 100  3.1-3.1   3.1=98, 2.1/4014=65, 564/3.0=42, ~4013=38...(12)
      QD1   ILE  100 - HB2   LEU  122  far    0    97   0   -  4.6-5.3
      QQG   VAL  104 - HB2   LEU  122  far    0   100   0   -  6.2-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 570 from c13no.peaks (0.87, 1.85, 42.42 ppm; 3.11 A):
    2 out of 4 assignments used, quality = 1.00:
      QD1   LEU  122 + HB2   LEU  122  OK   100   100 100 100  2.0-2.2   3.1=98, 4013/1.8=72, 1329/1326=41, 4006/1882=27...(13)
    * QD2   LEU  122 + HB2   LEU  122  OK   100   100 100 100  3.1-3.1   3.1=98, 2.1/4014=65, 565/3.0=42, ~4013=38...(12)
      QD1   ILE  100 - HB2   LEU  122  far    0    96   0   -  4.6-5.3
      QQG   VAL  104 - HB2   LEU  122  far    0   100   0   -  6.2-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 571 from c13no.peaks (4.37, 4.37, 56.29 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG  124 + HA    ARG  124  OK   100   100   - 100
 
    Peak 572 from c13no.peaks (1.90, 4.37, 56.29 ppm; 3.17 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   ARG  124 + HA    ARG  124  OK   100   100 100 100  2.4-3.0   3.0=100
      HB3   ARG  103 - HA    ARG  124  far    0    85   0   -  9.8-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 573 from c13no.peaks (1.68, 4.37, 56.29 ppm; 3.54 A increased from 3.33 A):
    1 out of 1 assignment used, quality = 1.00:
    * QG    ARG  124 + HA    ARG  124  OK   100   100 100 100  2.1-3.3   3.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 574 from c13no.peaks (3.22, 4.37, 56.29 ppm; 4.41 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD    ARG  124 + HA    ARG  124  OK   100   100 100 100  3.4-4.3   4.4=100
      QD    ARG  103 - HA    ARG  124  far    0    76   0   -  8.1-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 575 from c13no.peaks (4.37, 1.90, 31.47 ppm; 3.51 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    ARG  124 + HB2   ARG  124  OK   100   100 100 100  2.4-3.0   3.0=100
      HA    ARG  124 - HB3   ARG  103  far    0    46   0   -  9.8-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 576 from c13no.peaks (1.90, 1.90, 31.47 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   ARG  124 + HB2   ARG  124  OK   100   100   - 100
      HB3   ARG  103 + HB3   ARG  103  OK    33    33   - 100
 
    Peak 577 from c13no.peaks (1.68, 1.90, 31.47 ppm; 2.63 A):
    1 out of 2 assignments used, quality = 1.00:
    * QG    ARG  124 + HB2   ARG  124  OK   100   100 100 100  2.2-2.5   2.5=100
      QG    ARG  124 - HB3   ARG  103  far    0    46   0   -  7.5-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 578 from c13no.peaks (3.22, 1.90, 31.47 ppm; 3.75 A):
    2 out of 5 assignments used, quality = 1.00:
    * QD    ARG  124 + HB2   ARG  124  OK   100   100 100 100  2.1-2.7   3.2=100
      QD    ARG  103 + HB3   ARG  103  OK    29    29 100 100  2.1-3.3   3.3=100
      QD    ARG  124 - HB3   ARG  103  far    0    46   0   -  6.8-13.7
      HD3   PRO   97 - HB3   ARG  103  far    0    38   0   -  7.0-8.9
      QD    ARG  103 - HB2   ARG  124  far    0    76   0   -  7.4-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 579 from c13no.peaks (4.44, 4.44, 63.95 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO  126 + HA    PRO  126  OK   100   100   - 100
 
    Peak 580 from c13no.peaks (2.31, 4.44, 63.95 ppm; 3.33 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB2   PRO  126 + HA    PRO  126  OK   100   100 100 100  2.7-2.7   2.3=100
      QG    GLU  125 - HA    PRO  126  far    0    99   0   -  4.1-6.1
      QG    GLU   99 - HA    PRO  126  far    0    68   0   -  7.2-15.3
      HG2   GLU   41 - HA    PRO  426  far    0   100   0   -  8.9-49.0
      QB    GLN  107 - HA    PRO  126  far    0    95   0   -  9.8-19.4
    Violated in 0 structures by 0.00 A.
 
    Peak 582 from c13no.peaks (3.82, 4.44, 63.95 ppm; 4.16 A):
    1 out of 5 assignments used, quality = 1.00:
    * HD2   PRO  126 + HA    PRO  126  OK   100   100 100 100  3.6-4.1   3.6=100
      QA    GLY  128 - HA    PRO  126  far    0    90   0   -  4.8-6.9
      HA    GLU   54 - HA    PRO  126  far    0    98   0   -  6.9-17.2
      HD2   PRO   40 - HA    PRO  426  far    0    76   0   -  7.3-49.5
      HD3   PRO   58 - HA    PRO  126  far    0    99   0   -  8.9-18.0
    Violated in 0 structures by 0.00 A.
 
    Peak 583 from c13no.peaks (4.44, 2.31, 32.16 ppm; 3.56 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    PRO  126 + HB2   PRO  126  OK   100   100 100 100  2.7-2.7   2.3=100
      HA    PHE   47 - HB    VAL   88  far    0    90   0   -  7.7-10.5
      HA2   GLY   57 - HB2   PRO  126  far    0    93   0   -  9.0-19.2
    Violated in 0 structures by 0.00 A.
 
    Peak 584 from c13no.peaks (2.31, 2.31, 32.16 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   PRO  126 + HB2   PRO  126  OK   100   100   - 100
      HB    VAL   88 + HB    VAL   88  OK    88    88   - 100
 
    Peak 585 from c13no.peaks (2.07, 2.31, 32.16 ppm; 2.42 A):
    1 out of 7 assignments used, quality = 1.00:
    * QG    PRO  126 + HB2   PRO  126  OK   100   100 100 100  2.2-2.2   2.2=100
      HB2   PRO  112 - HB    VAL   88  far    0    49   0   -  3.4-5.1
      HB2   GLU  125 - HB2   PRO  126  far    0    98   0   -  5.2-7.8
      QB    GLU   99 - HB2   PRO  126  far    0    78   0   -  7.2-17.8
      HG    LEU   68 - HB    VAL   88  far    0    54   0   -  8.0-11.1
      QB    PRO   75 - HB    VAL   88  far    0    71   0   -  9.3-11.3
      HB2   GLU   41 - HB2   PRO  426  far    0    90   0   -  9.5-49.8
    Violated in 0 structures by 0.00 A.
 
    Peak 586 from c13no.peaks (3.82, 2.31, 32.16 ppm; 4.23 A increased from 3.76 A):
    3 out of 10 assignments used, quality = 1.00:
    * HD2   PRO  126 + HB2   PRO  126  OK   100   100 100 100  3.9-4.0   3.0=100
      HD3   PRO  112 + HB    VAL   88  OK    28    80  35  99  4.0-6.9   ~3777=51, ~3149=45, ~3789=44, ~3796=40...(11)
      HA    ARG   66 + HB    VAL   88  OK    20    68  30 100  3.5-5.4   2429/2.1=70, 2430/2.1=55, ~2425=46, ~3147=46...(12)
      QA    GLY  128 - HB2   PRO  126  far   14    90  15   -  3.8-6.1
      HA    GLU   81 - HB    VAL   88  far    0    88   0   -  6.3-8.0
      HA    GLU  113 - HB    VAL   88  far    0    64   0   -  7.2-8.8
      HA    ARG   48 - HB    VAL   88  far    0    86   0   -  8.1-10.2
      HA    GLU   54 - HB2   PRO  126  far    0    98   0   -  8.7-18.8
      HD2   PRO   40 - HB2   PRO  426  far    0    76   0   -  9.6-49.1
      HD3   PRO   58 - HB2   PRO  126  far    0    99   0   -  9.7-19.4
    Violated in 0 structures by 0.00 A.
 
    Peak 587 from c13no.peaks (3.97, 3.97, 45.56 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QA    GLY  127 + QA    GLY  127  OK   100   100   - 100
 
    Peak 605 from c13no.peaks (1.09, 1.09, 24.72 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG1   VAL  119 + QG1   VAL  119  OK   100   100   - 100
 
    Peak 606 from c13no.peaks (2.27, 1.09, 24.72 ppm; 2.93 A):
    1 out of 7 assignments used, quality = 1.00:
    * HB    VAL  119 + QG1   VAL  119  OK   100   100 100 100  2.1-2.1   2.1=100
      HG2   PRO   58 - QG1   VAL  119  far    0    98   0   -  4.4-5.7
      QG    GLU   54 - QG1   VAL  119  far    0    99   0   -  5.0-5.9
      HG2   PRO   97 - QG1   VAL  119  far    0    93   0   -  5.3-6.3
      QB    GLN  107 - QG1   VAL  119  far    0    60   0   -  5.7-7.1
      HG3   GLU  114 - QG1   VAL  119  far    0   100   0   -  8.6-9.0
      HB2   LEU   89 - QG1   VAL  119  far    0   100   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 608 from c13no.peaks (0.98, 0.98, 21.81 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   VAL  119 + QG2   VAL  119  OK   100   100   - 100
 
    Peak 614 from c13no.peaks (0.91, 0.91, 23.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU  118 + QD2   LEU  118  OK   100   100   - 100
 
    Peak 615 from c13no.peaks (0.93, 0.93, 26.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU  118 + QD1   LEU  118  OK   100   100   - 100
 
    Peak 616 from c13no.peaks (1.93, 1.93, 26.98 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU  118 + HG    LEU  118  OK   100   100   - 100
 
    Peak 620 from c13no.peaks (0.87, 0.87, 22.46 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QQG   VAL  104 + QQG   VAL  104  OK   100   100   - 100
 
    Peak 621 from c13no.peaks (1.58, 1.58, 28.28 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG12  ILE  100 + HG12  ILE  100  OK   100   100   - 100
 
    Peak 622 from c13no.peaks (1.17, 1.17, 28.28 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG13  ILE  100 + HG13  ILE  100  OK   100   100   - 100
 
    Peak 623 from c13no.peaks (0.90, 0.90, 19.22 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   ILE  100 + QG2   ILE  100  OK   100   100   - 100
 
    Peak 624 from c13no.peaks (0.88, 0.88, 12.75 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   ILE  100 + QD1   ILE  100  OK   100   100   - 100
 
    Peak 625 from c13no.peaks (1.81, 0.90, 19.22 ppm; 2.93 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB    ILE  100 + QG2   ILE  100  OK   100   100 100 100  2.1-2.1   2.1=100
      HG2   ARG  103 - QG2   ILE  100  far    0    87   0   -  4.1-4.9
      HG2   ARG  123 - QG2   ILE  100  far    0    99   0   -  4.3-7.3
      HB3   ARG  124 - QG2   ILE  100  far    0    90   0   -  7.6-10.3
      HB3   GLU   41 - QG2   ILE  400  far    0    85   0   -  9.0-20.6
      HB3   GLU   53 - QG2   ILE  100  far    0    73   0   -  9.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 627 from c13no.peaks (1.81, 1.58, 28.28 ppm; 3.25 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB    ILE  100 + HG12  ILE  100  OK   100   100 100 100  2.2-2.3   2.9=100
      HG2   ARG  123 - HG12  ILE  100  far    0    99   0   -  4.5-8.2
      HG2   ARG  103 - HG12  ILE  100  far    0    87   0   -  6.8-7.3
      HB3   ARG  124 - HG12  ILE  100  far    0    90   0   -  8.4-12.0
      HB3   GLU   53 - HG12  ILE  100  far    0    73   0   -  9.2-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 629 from c13no.peaks (1.81, 1.17, 28.28 ppm; 3.48 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB    ILE  100 + HG13  ILE  100  OK   100   100 100 100  2.6-2.7   2.9=100
      HG2   ARG  123 - HG13  ILE  100  far    0    99   0   -  4.5-8.6
      HG2   ARG  103 - HG13  ILE  100  far    0    87   0   -  5.3-5.9
      HB3   ARG  124 - HG13  ILE  100  far    0    90   0   -  7.3-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 631 from c13no.peaks (1.81, 0.88, 12.75 ppm; 3.33 A increased from 3.14 A):
    2 out of 6 assignments used, quality = 1.00:
    * HB    ILE  100 + QD1   ILE  100  OK   100   100 100 100  3.1-3.2   3.2=100
      HG2   ARG  123 + QD1   ILE  100  OK    41    99  55  75  2.1-5.5   2.5/2729=44, 2.5/4039=27, 3.9/3484=27, 4038=13
      HG2   ARG  103 - QD1   ILE  100  far    0    87   0   -  4.0-4.6
      HB3   ARG  124 - QD1   ILE  100  far    0    90   0   -  5.6-8.4
      HB3   GLU   41 - QD1   ILE  400  far    0    85   0   -  7.8-21.7
      HB3   GLU   53 - QD1   ILE  100  far    0    73   0   -  8.3-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 635 from c13no.peaks (0.91, 3.72, 67.96 ppm; 3.51 A):
    1 out of 4 assignments used, quality = 1.00:
    * QG1   VAL   88 + HA    VAL   88  OK   100   100 100 100  2.3-3.2   3.2=100
      QD2   LEU   86 - HA    VAL   88  far    0    89   0   -  7.6-8.3
      QD1   LEU   93 - HA    VAL   88  far    0    63   0   -  7.9-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 638 from c13no.peaks (0.91, 0.91, 21.81 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG1   VAL   88 + QG1   VAL   88  OK   100   100   - 100
      QG1   VAL   77 + QG1   VAL   77  OK   100   100   - 100
 
    Peak 640 from c13no.peaks (1.11, 1.11, 24.39 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   VAL   88 + QG2   VAL   88  OK   100   100   - 100
 
    Peak 648 from c13no.peaks (2.87, 2.87, 31.29 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   HIS   51 + HB3   HIS   51  OK   100   100   - 100
 
    Peak 651 from c13no.peaks (2.87, 4.72, 54.22 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   HIS   51 + HA    HIS   51  OK   100   100 100 100  2.7-2.8   3.0=100
      HB3   CYS   49 - HA    HIS   51  far    0    98   0   -  7.3-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 655 from c13no.peaks (2.38, 2.38, 34.43 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG2   GLN  101 + HG2   GLN  101  OK   100   100   - 100
      QG    GLN  105 + QG    GLN  105  OK    43    43   - 100
 
    Peak 656 from c13no.peaks (3.56, 2.38, 34.43 ppm; 3.58 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    GLN  101 + HG2   GLN  101  OK   100   100 100 100  2.1-2.2   434=97, 4089/1.8=68, 2.9/4109=51, 3331/3324=38...(25)
      HA    GLN  101 - QG    GLN  105  far    0    71   0   -  4.1-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 665 from c13no.peaks (3.24, 3.24, 43.81 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QD    ARG  103 + QD    ARG  103  OK   100   100   - 100
      QD    ARG   46 + QD    ARG   46  OK    93    93   - 100
 
    Peak 666 from c13no.peaks (1.83, 1.83, 27.63 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HG2   ARG  103 + HG2   ARG  103  OK   100   100   - 100
      HG2   ARG  123 + HG2   ARG  123  OK    91    91   - 100
      HG    LEU   86 + HG    LEU   86  OK    36    36   - 100
 
    Peak 667 from c13no.peaks (0.88, 0.88, 20.20 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   VAL   77 + QG2   VAL   77  OK   100   100   - 100
 
    Peak 668 from c13no.peaks (0.90, 0.90, 21.81 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG1   VAL   77 + QG1   VAL   77  OK   100   100   - 100
      QG1   VAL   88 + QG1   VAL   88  OK   100   100   - 100
 
    Peak 670 from c13no.peaks (4.42, 0.88, 20.20 ppm; 3.20 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    VAL   77 + QG2   VAL   77  OK   100   100 100 100  3.1-3.2   3.2=100
      HA    SER   79 - QG2   VAL   77  far    0    83   0   -  6.3-6.6
      HB2   SER   79 - QG2   VAL   77  far    0    83   0   -  6.8-8.1
      HA    PRO  126 - QG2   VAL  377  far    0    96   0   -  8.7-31.1
    Violated in 0 structures by 0.00 A.
 
    Peak 672 from c13no.peaks (4.42, 0.90, 21.81 ppm; 2.98 A):
    1 out of 6 assignments used, quality = 0.99:
    * HA    VAL   77 + QG1   VAL   77  OK    99   100 100  99  2.1-2.3   264=96, 3.0/2763=33, ~1737=20, ~1016=18...(10)
      HA    SER   79 - QG1   VAL   77  far    0    83   0   -  7.6-8.1
      HA    PHE   47 - QG1   VAL   88  far    0   100   0   -  7.6-8.7
      HB2   SER   79 - QG1   VAL   77  far    0    83   0   -  8.2-10.0
      HA    PRO  126 - QG1   VAL  377  far    0    96   0   -  8.8-29.8
      HB2   SER   79 - QG1   VAL   88  far    0    82   0   -  9.2-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 676 from c13no.peaks (3.72, 1.11, 24.39 ppm; 3.16 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    VAL   88 + QG2   VAL   88  OK   100   100 100 100  2.3-3.0   3.2=96, 3.0/1121=48, 88/294=33, 3.6/1138=30...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 677 from c13no.peaks (3.72, 0.91, 21.81 ppm; 3.35 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    VAL   88 + QG1   VAL   88  OK   100   100 100 100  2.3-3.2   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 681 from c13no.peaks (3.80, 0.87, 22.46 ppm; 3.06 A):
    1 out of 9 assignments used, quality = 1.00:
    * HA    VAL  104 + QQG   VAL  104  OK   100   100 100 100  2.3-2.3   2.3=100
      HA2   GLY   94 - QQG   VAL  104  far    0    98   0   -  5.6-6.1
      HA3   GLY  110 - QQG   VAL  104  far    0    78   0   -  6.4-6.7
      HD2   PRO   97 - QQG   VAL  104  far    0    81   0   -  6.5-6.8
      HD3   PRO  112 - QQG   VAL  104  far    0    98   0   -  7.5-8.2
      HA    GLU  113 - QQG   VAL  104  far    0   100   0   -  7.8-8.4
      HA    LEU   62 - QQG   VAL  104  far    0    90   0   -  9.1-10.2
      HD2   PRO  126 - QQG   VAL  104  far    0    71   0   -  9.5-14.6
      HD3   PRO   58 - QQG   VAL  104  far    0    87   0   -  9.7-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 684 from c13no.peaks (3.05, 3.05, 39.89 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   PHE   92 + HB3   PHE   92  OK   100   100   - 100
      HB3   PHE   47 + HB3   PHE   47  OK    54    54   - 100
 
    Peak 685 from c13no.peaks (3.99, 3.05, 39.89 ppm; 4.14 A):
    1 out of 8 assignments used, quality = 1.00:
    * HA    PHE   92 + HB3   PHE   92  OK   100   100 100 100  2.4-2.5   3.0=100
      HA    PRO  112 - HB3   PHE   92  poor  18    95  28  71  3.8-5.0   385/1.8=34, 108/2.4=29, 3746/3237=25, ~152=17
      HA    ARG   46 - HB3   PHE   47  far    0    60   0   -  5.5-5.6
      HA    GLN   91 - HB3   PHE   92  far    0    76   0   -  5.8-5.9
      HA    GLN   91 - HB3   PHE   47  far    0    43   0   -  8.1-8.6
      HA    GLN   71 - HB3   PHE   47  far    0    57   0   -  8.7-9.8
      HB3   SER  111 - HB3   PHE   92  far    0   100   0   -  9.5-10.7
      QA    GLY  121 - HB3   PHE  347  far    0    54   0   -  9.8-40.2
    Violated in 0 structures by 0.00 A.
 
    Peak 689 from c13no.peaks (2.60, 2.60, 31.51 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   MET   83 + HG2   MET   83  OK   100   100   - 100
 
    Peak 690 from c13no.peaks (2.15, 2.15, 31.51 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   MET   83 + HG3   MET   83  OK   100   100   - 100
 
    Peak 691 from c13no.peaks (3.66, 2.15, 31.51 ppm; 4.19 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    MET   83 + HG3   MET   83  OK   100   100 100 100  2.2-2.6   4.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 692 from c13no.peaks (3.66, 2.60, 31.51 ppm; 4.18 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    MET   83 + HG2   MET   83  OK   100   100 100 100  2.4-2.9   4.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 696 from c13no.peaks (3.66, 1.66, 33.87 ppm; 3.95 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    MET   83 + HB3   MET   83  OK   100   100 100 100  2.7-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 698 from c13no.peaks (1.66, 1.66, 33.87 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   MET   83 + HB3   MET   83  OK   100   100   - 100
 
    Peak 700 from c13no.peaks (1.66, 3.66, 60.59 ppm; 3.55 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   MET   83 + HA    MET   83  OK   100   100 100 100  2.7-2.9   3.0=100
      HB3   LEU   87 - HA    MET   83  far    0    68   0   -  7.7-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 701 from c13no.peaks (1.28, 1.28, 22.46 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG2   THR   56 + QG2   THR   56  OK   100   100   - 100
 
    Peak 704 from c13no.peaks (4.25, 1.28, 22.46 ppm; 3.20 A increased from 2.84 A):
    1 out of 3 assignments used, quality = 0.99:
    * HA    THR   56 + QG2   THR   56  OK    99   100 100  99  3.1-3.2   3.2=99
      HA    GLU   53 - QG2   THR   56  far    0    83   0   -  4.4-4.7
      HA    ALA   55 - QG2   THR   56  far    0    68   0   -  5.2-5.4
    Violated in 2 structures by 0.00 A.
 
    Peak 719 from c13no.peaks (1.17, 1.17, 27.95 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   LYS   80 + HG3   LYS   80  OK   100   100   - 100
 
    Peak 720 from c13no.peaks (1.62, 1.62, 27.95 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   LYS   80 + HG2   LYS   80  OK   100   100   - 100
 
    Peak 721 from c13no.peaks (1.50, 1.50, 33.50 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LYS   80 + HB3   LYS   80  OK   100   100   - 100
 
    Peak 722 from c13no.peaks (1.74, 1.74, 30.87 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    LYS   80 + QD    LYS   80  OK   100   100   - 100
 
    Peak 725 from c13no.peaks (2.98, 2.98, 42.52 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE3   LYS   80 + HE3   LYS   80  OK   100   100   - 100
 
    Peak 726 from c13no.peaks (3.08, 3.08, 42.52 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE2   LYS   80 + HE2   LYS   80  OK   100   100   - 100
 
    Peak 727 from c13no.peaks (3.79, 3.08, 42.52 ppm; 4.73 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LYS   80 + HE2   LYS   80  OK   100   100 100 100  3.4-4.7   285=100, 741/2.5=78, 3.0/2868=69, 3.0/2871=69...(16)
      HA    LEU   84 - HE2   LYS   80  far    0    65   0   -  8.3-10.0
      HA    ARG   66 - HE2   LYS   80  far    0    97   0   -  9.1-11.1
    Violated in 1 structures by 0.00 A.
 
    Peak 729 from c13no.peaks (1.50, 3.79, 61.68 ppm; 3.85 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   LYS   80 + HA    LYS   80  OK   100   100 100 100  2.4-3.0   3.0=100
      HG3   ARG   78 - HA    LYS   80  far    0    85   0   -  7.6-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 730 from c13no.peaks (1.17, 3.79, 61.68 ppm; 4.21 A increased from 3.75 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG3   LYS   80 + HA    LYS   80  OK   100   100 100 100  2.7-4.2   3.9=100
    Violated in 3 structures by 0.00 A.
 
    Peak 731 from c13no.peaks (2.98, 3.79, 61.68 ppm; 5.16 A increased from 4.85 A):
    1 out of 1 assignment used, quality = 1.00:
    * HE3   LYS   80 + HA    LYS   80  OK   100   100 100 100  4.2-5.2   744=90, 1.8/285=89, 2.5/741=87, 2863/283=78...(14)
    Violated in 1 structures by 0.00 A.
 
    Peak 737 from c13no.peaks (3.79, 1.17, 27.95 ppm; 4.25 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LYS   80 + HG3   LYS   80  OK   100   100 100 100  2.7-4.2   3.9=100
      HA    ARG   66 - HG3   LYS   80  far    0    97   0   -  5.8-9.5
      HA    LEU   84 - HG3   LYS   80  far    0    65   0   -  7.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 738 from c13no.peaks (3.79, 1.62, 27.95 ppm; 4.46 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LYS   80 + HG2   LYS   80  OK   100   100 100 100  3.2-3.6   3.9=100
      HA    ARG   66 - HG2   LYS   80  far    0    97   0   -  5.8-9.1
      HA    LEU   84 - HG2   LYS   80  far    0    65   0   -  6.3-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 739 from c13no.peaks (3.79, 1.50, 33.50 ppm; 4.21 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LYS   80 + HB3   LYS   80  OK   100   100 100 100  2.4-3.0   3.0=100
      HA    LEU   84 - HB3   LYS   80  far    0    65   0   -  5.0-7.4
      HA    ARG   66 - HB3   LYS   80  far    0    97   0   -  5.4-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 740 from c13no.peaks (3.79, 1.87, 33.50 ppm; 4.30 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LYS   80 + HB2   LYS   80  OK   100   100 100 100  2.3-2.5   3.0=100
      HA    LEU   84 - HB2   LYS   80  far    0    65   0   -  5.6-7.8
      HA    ARG   66 - HB2   LYS   80  far    0    97   0   -  6.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 741 from c13no.peaks (3.79, 1.74, 30.87 ppm; 4.35 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LYS   80 + QD    LYS   80  OK   100   100 100 100  3.8-4.4   4.4=98, 3.0/289=83, 283/2.5=80, 285/2.5=60...(17)
      HA    ARG   66 - QD    LYS   80  far    0    97   0   -  7.1-8.8
      HA    LEU   84 - QD    LYS   80  far    0    65   0   -  7.4-8.7
    Violated in 4 structures by 0.00 A.
 
    Peak 744 from c13no.peaks (3.79, 2.98, 42.52 ppm; 5.34 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LYS   80 + HE3   LYS   80  OK   100   100 100 100  4.2-5.2   731=100, 285/1.8=93, 741/2.5=90, 283/2863=82...(14)
      HA    ARG   66 - HE3   LYS   80  far    0    97   0   -  7.9-11.6
      HA    LEU   84 - HE3   LYS   80  far    0    65   0   -  8.3-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 745 from c13no.peaks (3.76, 3.76, 58.37 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HA    LEU   45 + HA    LEU   45  OK   100   100   - 100
      HA    LEU   62 + HA    LEU   62  OK    66    66   - 100
 
    Peak 746 from c13no.peaks (1.39, 3.76, 58.37 ppm; 3.37 A):
    2 out of 4 assignments used, quality = 1.00:
    * HB3   LEU   45 + HA    LEU   45  OK   100   100 100 100  2.2-2.8   3.0=100
      HG    LEU   62 + HA    LEU   62  OK    41    82  50  99  3.1-3.7   884/3.0=57, 4.3=49, 2.1/779=47, 150/3.0=30...(16)
      QB    ALA  115 - HA    LEU   62  far    0    71   0   -  6.8-7.6
      HB3   LEU   93 - HA    LEU   62  far    0    60   0   -  9.5-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 747 from c13no.peaks (1.76, 3.76, 58.37 ppm; 3.37 A):
    3 out of 5 assignments used, quality = 1.00:
    * HB2   LEU   45 + HA    LEU   45  OK   100   100 100 100  2.5-3.0   3.0=100
      HB2   LEU   62 + HA    LEU   62  OK    82    82 100 100  3.0-3.0   3.0=100
      QB    ARG   48 + HA    LEU   45  OK    45    65 100  69  2.5-3.2   3.2/1958=34, 3.9/759=23, 2.1/748=18, 5.8/103=13
      QB    LEU   84 - HA    LEU   62  far    0    83   0   -  6.4-7.4
      HG    LEU   89 - HA    LEU   62  far    0    54   0   -  8.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 748 from c13no.peaks (1.61, 3.76, 58.37 ppm; 3.87 A increased from 3.64 A):
    2 out of 6 assignments used, quality = 0.96:
    * HG    LEU   45 + HA    LEU   45  OK    93   100  93 100  2.4-4.2   3.7=100
      QG    ARG   48 + HA    LEU   45  OK    47   100  63  76  2.8-5.1   747/1958=38, 4.3/759=29, 1987/103=21, 6.5/673=17
      QG    ARG   66 - HA    LEU   62  far    0    54   0   -  4.4-5.0
      QB    ALA   43 - HA    LEU   45  far    0    99   0   -  6.4-6.9
      QB    ALA   95 - HA    LEU   62  far    0    82   0   -  6.5-7.7
      QB    ALA   95 - HA    LEU   45  far    0   100   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 749 from c13no.peaks (0.82, 3.76, 58.37 ppm; 4.25 A increased from 3.78 A):
    1 out of 4 assignments used, quality = 1.00:
    * QD1   LEU   45 + HA    LEU   45  OK   100   100 100 100  2.1-4.1   4.0=100
      QD2   LEU   93 - HA    LEU   62  far    0    58   0   -  7.6-9.0
      QD1   LEU   89 - HA    LEU   62  far    0    82   0   -  8.6-9.9
      HG    LEU   73 - HA    LEU   45  far    0    63   0   -  9.8-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 750 from c13no.peaks (0.73, 3.76, 58.37 ppm; 3.13 A):
    2 out of 6 assignments used, quality = 0.73:
    * QD2   LEU   45 + HA    LEU   45  OK    50   100  50  99  2.0-3.5   764=65, 1942/3.0=56, 1955/3.6=26, ~1939=23...(18)
      QD1   LEU   65 + HA    LEU   62  OK    47    54 100  87  1.8-2.2   2368=26, 906/3.6=22, 2361/4.0=22, 3.1/2356=17...(15)
      QD2   LEU   89 - HA    LEU   62  far    0    79   0   -  6.8-8.0
      QD1   LEU   87 - HA    LEU   62  far    0    78   0   -  8.0-9.1
      QD1   LEU   84 - HA    LEU   62  far    0    78   0   -  8.4-9.4
      QD1   LEU   87 - HA    LEU   45  far    0    97   0   -  9.3-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 754 from c13no.peaks (3.76, 1.76, 42.19 ppm; 3.58 A):
    2 out of 3 assignments used, quality = 1.00:
    * HA    LEU   45 + HB2   LEU   45  OK   100   100 100 100  2.5-3.0   3.0=100
      HA    LEU   62 + HB2   LEU   62  OK    86    86 100 100  3.0-3.0   3.0=100
      HA    LEU   93 - HB2   LEU   62  far    0    96   0   -  9.2-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 755 from c13no.peaks (3.76, 1.39, 42.19 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   45 + HB3   LEU   45  OK   100   100 100 100  2.2-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 756 from c13no.peaks (1.61, 1.61, 27.30 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG    LEU   45 + HG    LEU   45  OK   100   100   - 100
      QG    ARG   74 + QG    ARG   74  OK    29    29   - 100
 
    Peak 758 from c13no.peaks (3.76, 1.61, 27.30 ppm; 3.97 A):
    1 out of 3 assignments used, quality = 0.93:
    * HA    LEU   45 + HG    LEU   45  OK    93   100  93 100  2.4-4.2   3.7=100
      HA    LYS   80 - QG    ARG   74  far    0    32   0   -  7.7-8.4
      HA    LEU   84 - QG    ARG   74  far    0    60   0   -  8.2-9.0
    Violated in 2 structures by 0.03 A.
 
    Peak 759 from c13no.peaks (0.82, 0.82, 25.73 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QD1   LEU   45 + QD1   LEU   45  OK   100   100   - 100
      QD1   LEU   89 + QD1   LEU   89  OK    60    60   - 100
 
    Peak 761 from c13no.peaks (3.76, 0.82, 25.73 ppm; 4.18 A increased from 3.72 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    LEU   45 + QD1   LEU   45  OK   100   100 100 100  2.1-4.1   4.0=100
      HA    LEU   93 - QD1   LEU   89  far    0    56   0   -  5.6-7.4
      HA3   GLY   94 - QD1   LEU   89  far    0    59   0   -  6.3-8.7
      HA2   GLY   94 - QD1   LEU   89  far    0    36   0   -  6.5-8.9
      HA    LEU   84 - QD1   LEU   89  far    0    61   0   -  8.1-8.9
      HA    LEU   62 - QD1   LEU   89  far    0    47   0   -  8.6-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 762 from c13no.peaks (0.73, 0.73, 23.40 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QD2   LEU   45 + QD2   LEU   45  OK   100   100   - 100
      QD2   LEU   89 + QD2   LEU   89  OK    96    96   - 100
 
    Peak 764 from c13no.peaks (3.76, 0.73, 23.40 ppm; 3.62 A increased from 2.89 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    LEU   45 + QD2   LEU   45  OK   100   100 100 100  2.0-3.5   4.0=75, 3.0/1942=72, 3.6/1955=36, ~1939=33...(19)
      HA    LEU   93 - QD2   LEU   89  far    0    94   0   -  4.3-4.9
      HA3   GLY   94 - QD2   LEU   89  far    0    97   0   -  6.3-7.2
      HA2   GLY   94 - QD2   LEU   89  far    0    67   0   -  6.5-7.3
      HA    LEU   62 - QD2   LEU   89  far    0    83   0   -  6.8-8.0
      HA    LEU   84 - QD2   LEU   89  far    0    98   0   -  8.6-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 767 from c13no.peaks (1.31, 1.31, 42.19 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   62 + HB3   LEU   62  OK   100   100   - 100
 
    Peak 769 from c13no.peaks (3.78, 1.31, 42.19 ppm; 3.97 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    LEU   62 + HB3   LEU   62  OK   100   100 100 100  2.3-2.7   3.0=100
      HA    GLU  113 - HB3   LEU   62  far    0    89   0   -  4.4-5.0
      HA    ARG   66 - HB3   LEU   62  far    0    85   0   -  6.1-6.6
      HD3   PRO  112 - HB3   LEU   62  far    0    71   0   -  7.1-8.6
      HA    LEU   93 - HB3   LEU   62  far    0    60   0   -  7.7-11.3
      HA    LEU   84 - HB3   LEU   62  far    0    87   0   -  8.8-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 770 from c13no.peaks (0.48, 1.31, 42.19 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   62 + HB3   LEU   62  OK   100   100 100 100  2.1-3.2   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 771 from c13no.peaks (1.39, 1.39, 26.98 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU   62 + HG    LEU   62  OK   100   100   - 100
 
    Peak 772 from c13no.peaks (0.48, 0.48, 25.37 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   62 + QD1   LEU   62  OK   100   100   - 100
 
    Peak 773 from c13no.peaks (0.29, 0.29, 24.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   62 + QD2   LEU   62  OK   100   100   - 100
 
    Peak 777 from c13no.peaks (3.78, 1.39, 26.98 ppm; 4.44 A):
    2 out of 5 assignments used, quality = 1.00:
    * HA    LEU   62 + HG    LEU   62  OK   100   100 100 100  3.1-3.7   4.3=100
      HA    GLU  113 + HG    LEU   62  OK    86    89  98  99  2.4-4.5   3837/2.1=74, 3836/2.1=69, 3.6/3840=41, ~2316=38...(10)
      HD3   PRO  112 - HG    LEU   62  far    0    71   0   -  6.5-8.5
      HA    ARG   66 - HG    LEU   62  far    0    85   0   -  6.8-8.9
      HA    LEU   93 - HG    LEU   62  far    0    60   0   -  8.3-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 778 from c13no.peaks (3.78, 0.48, 25.37 ppm; 3.62 A):
    2 out of 8 assignments used, quality = 0.95:
      HA    GLU  113 + QD1   LEU   62  OK    88    89 100 100  1.9-3.6   3837=67, 3836/2.1=47, 3842/1619=47, 2.9/2307=32...(18)
    * HA    LEU   62 + QD1   LEU   62  OK    52   100  53 100  2.4-3.8   4.0=75, 147/2.1=71, 3.0/889=47, 3.6/2303=36...(17)
      HD3   PRO  112 - QD1   LEU   62  far    0    71   0   -  5.2-6.9
      HA    LEU   93 - QD1   LEU   62  far    0    60   0   -  6.3-8.1
      HA    ARG   66 - QD1   LEU   62  far    0    85   0   -  6.9-7.6
      HA    LEU   84 - QD1   LEU   62  far    0    87   0   -  8.7-10.1
      HA3   GLY   94 - QD1   LEU   62  far    0    73   0   -  9.5-11.1
      HA2   GLY   94 - QD1   LEU   62  far    0    99   0   -  9.8-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 779 from c13no.peaks (3.78, 0.29, 24.07 ppm; 3.15 A):
    2 out of 9 assignments used, quality = 1.00:
    * HA    LEU   62 + QD2   LEU   62  OK   100   100 100 100  1.8-2.1   147=73, 3.0/888=37, 2368/2361=29, 3.6/2311=25...(22)
      HA    GLU  113 + QD2   LEU   62  OK    30    89  35  98  2.8-4.0   3837/2.1=40, 3836=36, 3842/1618=30, 2.9/2316=27...(18)
      HD3   PRO  112 - QD2   LEU   62  far    0    71   0   -  4.8-5.5
      HA    ARG   66 - QD2   LEU   62  far    0    85   0   -  4.9-6.1
      HA    LEU   93 - QD2   LEU   62  far    0    60   0   -  6.0-7.1
      HA    LEU   84 - QD2   LEU   62  far    0    87   0   -  7.1-7.9
      HA3   GLY   94 - QD2   LEU   62  far    0    73   0   -  8.7-9.5
      HA2   GLY   94 - QD2   LEU   62  far    0    99   0   -  9.1-10.0
      HA    LYS   80 - QD2   LEU   62  far    0    98   0   -  9.7-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 780 from c13no.peaks (1.75, 0.29, 24.07 ppm; 3.54 A):
    1 out of 7 assignments used, quality = 1.00:
    * HB2   LEU   62 + QD2   LEU   62  OK   100   100 100 100  3.2-3.2   3.1=100
      QB    LEU   84 - QD2   LEU   62  far    0   100   0   -  5.1-6.1
      HG    LEU   89 - QD2   LEU   62  far    0    81   0   -  5.4-7.4
      HG3   PRO  109 - QD2   LEU   62  far    0   100   0   -  7.4-8.0
      HB2   LEU   86 - QD2   LEU   62  far    0    96   0   -  8.7-10.4
      QD    LYS   80 - QD2   LEU   62  far    0    97   0   -  9.4-10.9
      QE    MET   83 - QD2   LEU   62  far    0    81   0   -  9.6-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 784 from c13no.peaks (0.98, 0.98, 27.31 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU   65 + HG    LEU   65  OK   100   100   - 100
 
    Peak 785 from c13no.peaks (3.92, 0.98, 27.31 ppm; 4.60 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   65 + HG    LEU   65  OK   100   100 100 100  2.5-3.5   4.3=100
      HA    LEU   89 - HG    LEU   65  far    0    87   0   -  5.9-9.1
      HA    ALA  116 - HG    LEU   65  far    0    99   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 786 from c13no.peaks (0.60, 0.98, 27.31 ppm; 4.00 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   65 + HG    LEU   65  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 788 from c13no.peaks (0.75, 0.75, 26.34 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   65 + QD1   LEU   65  OK   100   100   - 100
 
    Peak 789 from c13no.peaks (0.60, 0.60, 25.69 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   65 + QD2   LEU   65  OK   100   100   - 100
 
    Peak 792 from c13no.peaks (3.92, 0.75, 26.34 ppm; 4.08 A increased from 3.84 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    LEU   65 + QD1   LEU   65  OK   100   100 100 100  3.3-3.9   3.7=100
      HA    LEU   89 - QD1   LEU   65  far    0    87   0   -  4.7-6.3
      HA    ALA  116 - QD1   LEU   65  far    0    99   0   -  6.7-7.5
      HA    ALA  115 - QD1   LEU   65  far    0    85   0   -  9.0-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 793 from c13no.peaks (3.92, 0.60, 25.69 ppm; 3.41 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   65 + QD2   LEU   65  OK   100   100 100 100  1.8-2.8   168=87, 166/2.1=54, 3.0/937=45, 2386/2404=31...(16)
      HA    LEU   89 - QD2   LEU   65  far    0    87   0   -  5.6-7.4
      HA    ALA  116 - QD2   LEU   65  far    0    99   0   -  9.0-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 796 from c13no.peaks (1.51, 1.51, 43.23 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   68 + HB3   LEU   68  OK   100   100   - 100
 
    Peak 800 from c13no.peaks (4.07, 1.51, 43.23 ppm; 4.51 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    LEU   68 + HB3   LEU   68  OK   100   100 100 100  2.7-3.0   3.0=100
      HA    ALA   43 - HB3   LEU   68  far    0    83   0   -  5.2-7.1
      HA    ALA   42 - HB3   LEU   68  far    0    99   0   -  9.5-11.5
      HA    GLU   85 - HB3   LEU   68  far    0    99   0   -  9.8-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 801 from c13no.peaks (2.04, 2.04, 26.98 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG    LEU   68 + HG    LEU   68  OK   100   100   - 100
      QG    PRO   38 + QG    PRO   38  OK    98    98   - 100
 
    Peak 803 from c13no.peaks (4.07, 2.04, 26.98 ppm; 3.81 A):
    1 out of 7 assignments used, quality = 1.00:
    * HA    LEU   68 + HG    LEU   68  OK   100   100 100 100  2.6-3.3   194=100, 809/2.1=88, 195/2.1=67, 3.0/2528=41...(12)
      HA3   GLY   39 - QG    PRO   38  far    7    99   8   -  3.7-4.8
      HA    ALA   43 - HG    LEU   68  far    0    83   0   -  4.2-7.1
      HA    ALA   43 - QG    PRO   38  far    0    81   0   -  4.3-8.7
      HA    ALA   42 - QG    PRO   38  far    0    97   0   -  4.8-6.7
      HA    LEU   68 - QG    PRO   38  far    0    99   0   -  7.1-12.9
      HA    ALA   42 - HG    LEU   68  far    0    99   0   -  8.6-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 804 from c13no.peaks (1.05, 1.05, 26.34 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   68 + QD1   LEU   68  OK   100   100   - 100
 
    Peak 806 from c13no.peaks (4.07, 1.05, 26.34 ppm; 4.05 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    LEU   68 + QD1   LEU   68  OK   100   100 100 100  3.0-3.9   3.9=100
      HA    ALA   43 - QD1   LEU   68  far    0    83   0   -  5.0-6.1
      HA    ALA   42 - QD1   LEU   68  far    0    99   0   -  8.5-9.6
      HA    GLU   85 - QD1   LEU   68  far    0    99   0   -  9.5-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 807 from c13no.peaks (0.97, 0.97, 22.78 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   68 + QD2   LEU   68  OK   100   100   - 100
 
    Peak 809 from c13no.peaks (4.07, 0.97, 22.78 ppm; 2.92 A):
    1 out of 4 assignments used, quality = 0.98:
    * HA    LEU   68 + QD2   LEU   68  OK    98   100 100  98  1.7-2.3   196=73, 194/2.1=41, 195/2.1=38, 3.0/2534=30...(13)
      HA    ALA   43 - QD2   LEU   68  far    2    83   3   -  3.0-4.2
      HA    ALA   42 - QD2   LEU   68  far    0    99   0   -  6.9-8.2
      HA3   GLY   39 - QD2   LEU   68  far    0   100   0   -  8.3-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 810 from c13no.peaks (1.82, 1.82, 28.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU   84 + HG    LEU   84  OK   100   100   - 100
 
    Peak 812 from c13no.peaks (3.76, 1.82, 28.93 ppm; 3.72 A increased from 3.51 A):
    2 out of 3 assignments used, quality = 1.00:
    * HA    LEU   84 + HG    LEU   84  OK   100   100 100 100  2.8-3.7   3.7=100
      HA    LYS   80 + HG    LEU   84  OK    23    65  45  79  2.2-5.4   2861/2.1=35, ~2860=26, ~2849=25, 2904/3022=19...(8)
      HA    LEU   62 - HG    LEU   84  far    0    87   0   -  8.0-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 815 from c13no.peaks (0.74, 0.74, 25.37 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   84 + QD1   LEU   84  OK   100   100   - 100
 
    Peak 816 from c13no.peaks (3.76, 0.74, 25.37 ppm; 2.95 A):
    2 out of 3 assignments used, quality = 0.98:
    * HA    LEU   84 + QD1   LEU   84  OK    96   100 100  96  1.8-2.0   318=43, 3.0/1080=41, ~321=25, 3.6/3024=24...(16)
      HA    LYS   80 + QD1   LEU   84  OK    55    65 100  83  2.2-2.8   3.0/2860=23, 3.0/2849=21, 1639/1636=21, 2861=20...(12)
      HA    LEU   62 - QD1   LEU   84  far    0    87   0   -  8.4-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 819 from c13no.peaks (1.34, 1.34, 41.68 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   86 + HB3   LEU   86  OK   100   100   - 100
 
    Peak 821 from c13no.peaks (4.19, 1.34, 41.68 ppm; 3.96 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   86 + HB3   LEU   86  OK   100   100 100 100  2.7-3.0   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 822 from c13no.peaks (1.81, 1.81, 27.63 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HG    LEU   86 + HG    LEU   86  OK   100   100   - 100
      HG2   ARG  123 + HG2   ARG  123  OK    77    77   - 100
      HG2   ARG  103 + HG2   ARG  103  OK    36    36   - 100
 
    Peak 823 from c13no.peaks (0.67, 0.67, 25.37 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   86 + QD1   LEU   86  OK   100   100   - 100
 
    Peak 825 from c13no.peaks (4.19, 0.67, 25.37 ppm; 3.99 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   86 + QD1   LEU   86  OK   100   100 100 100  3.8-3.9   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 826 from c13no.peaks (0.89, 0.89, 23.10 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QD2   LEU   86 + QD2   LEU   86  OK   100   100   - 100
      QD2   LEU  122 + QD2   LEU  122  OK    54    54   - 100
 
    Peak 827 from c13no.peaks (4.19, 0.89, 23.10 ppm; 2.87 A):
    1 out of 5 assignments used, quality = 0.97:
    * HA    LEU   86 + QD2   LEU   86  OK    97   100 100  97  1.8-2.2   339=80, 337/2.1=45, 3.0/3077=35, ~3055=18...(9)
      HA    ARG  103 - QD2   LEU  122  far    0    75   0   -  4.8-5.7
      HA    LEU  118 - QD2   LEU  122  far    0    78   0   -  6.0-6.2
      HA    PRO   98 - QD2   LEU  122  far    0    40   0   -  8.2-8.9
      HA3   GLY   57 - QD2   LEU  122  far    0    62   0   -  9.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 829 from c13no.peaks (0.67, 1.81, 27.63 ppm; 3.48 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD1   LEU   86 + HG    LEU   86  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 830 from c13no.peaks (4.19, 1.81, 27.63 ppm; 3.61 A):
    2 out of 6 assignments used, quality = 1.00:
    * HA    LEU   86 + HG    LEU   86  OK   100   100 100 100  2.7-3.3   337=100, 827/2.1=84, 3.0/3075=57, ~3055=33...(9)
      HA    ARG  103 + HG2   ARG  103  OK    53    62  85 100  3.6-3.9   3.8=88, 3544/1.8=75, 445/2.5=55, 3.0/448=48...(14)
      HA    LEU  118 - HG2   ARG  103  far    0    65   0   -  6.5-8.9
      HA3   GLY   57 - HG2   ARG  123  far    0    73   0   -  6.9-8.6
      HA    LEU  118 - HG2   ARG  123  far    0    90   0   -  7.0-8.8
      HA    PRO   98 - HG2   ARG  103  far    0    32   0   -  9.2-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 834 from c13no.peaks (1.69, 1.69, 42.26 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   87 + HB3   LEU   87  OK   100   100   - 100
 
    Peak 835 from c13no.peaks (4.50, 1.69, 42.26 ppm; 4.38 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    LEU   87 + HB3   LEU   87  OK   100   100 100 100  2.2-2.3   3.0=100
      HA    GLU   41 - HB3   LEU   87  far    0    60   0   -  9.9-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 837 from c13no.peaks (0.74, 1.69, 42.26 ppm; 3.53 A):
    1 out of 6 assignments used, quality = 1.00:
    * QD1   LEU   87 + HB3   LEU   87  OK   100   100 100 100  3.2-3.2   3.1=100
      QD1   LEU   84 - HB3   LEU   87  far    0   100   0   -  5.6-6.5
      QD1   LEU   65 - HB3   LEU   87  far    0    93   0   -  6.9-8.0
      QD2   LEU   89 - HB3   LEU   87  far    0   100   0   -  7.9-8.4
      QD2   LEU   45 - HB3   LEU   87  far    0    97   0   -  8.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 838 from c13no.peaks (1.69, 4.50, 57.82 ppm; 4.07 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   LEU   87 + HA    LEU   87  OK   100   100 100 100  2.2-2.3   3.0=100
      QB    GLN   91 - HA    LEU   87  far   10   100  10   -  4.0-4.5
      HB3   MET   83 - HA    LEU   87  far    0    68   0   -  7.8-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 839 from c13no.peaks (1.81, 1.81, 26.98 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU   87 + HG    LEU   87  OK   100   100   - 100
 
    Peak 840 from c13no.peaks (4.50, 1.81, 26.98 ppm; 4.67 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    LEU   87 + HG    LEU   87  OK   100   100 100 100  3.8-3.9   4.3=100
      HA    GLU   41 - HG    LEU   87  far    0    60   0   -  9.1-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 842 from c13no.peaks (0.74, 0.74, 27.63 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   87 + QD1   LEU   87  OK   100   100   - 100
 
    Peak 843 from c13no.peaks (4.50, 0.74, 27.63 ppm; 4.38 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    LEU   87 + QD1   LEU   87  OK   100   100 100 100  3.3-3.5   3.9=100
      HA    GLU   41 - QD1   LEU   87  far    0    60   0   -  9.0-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 845 from c13no.peaks (1.00, 1.00, 24.39 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   87 + QD2   LEU   87  OK   100   100   - 100
 
    Peak 847 from c13no.peaks (4.50, 1.00, 24.39 ppm; 3.16 A):
    1 out of 2 assignments used, quality = 0.99:
    * HA    LEU   87 + QD2   LEU   87  OK    99   100 100  99  2.1-2.3   3.9=52, 348/2.1=48, 347/2.1=45, 3.0/3091=43...(13)
      HA    GLU   41 - QD2   LEU   87  far    0    60   0   -  8.5-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 850 from c13no.peaks (1.33, 1.33, 42.58 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   89 + HB3   LEU   89  OK   100   100   - 100
 
    Peak 852 from c13no.peaks (3.94, 1.33, 42.58 ppm; 4.19 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    LEU   89 + HB3   LEU   89  OK   100   100 100 100  2.4-2.6   2.9=100
      HA    GLN   82 - HB3   LEU   89  far    0    89   0   -  7.6-8.7
      HA    ALA  115 - HB3   LEU   89  far    0   100   0   -  8.7-9.5
      HA    ALA  116 - HB3   LEU   89  far    0    97   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 853 from c13no.peaks (0.81, 1.33, 42.58 ppm; 3.68 A):
    1 out of 3 assignments used, quality = 1.00:
    * QD1   LEU   89 + HB3   LEU   89  OK   100   100 100 100  2.1-3.1   3.1=100
      HG    LEU   73 -?HB3   LEU   73  poor  17    31 100  57  2.7-2.9   2.1/1781=56
      QD2   LEU   93 - HB3   LEU   89  far    0    87   0   -  6.0-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 854 from c13no.peaks (0.74, 0.74, 23.43 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QD2   LEU   89 + QD2   LEU   89  OK   100   100   - 100
      QD2   LEU   45 + QD2   LEU   45  OK    96    96   - 100
 
    Peak 856 from c13no.peaks (3.94, 0.74, 23.43 ppm; 2.93 A):
    1 out of 11 assignments used, quality = 0.94:
    * HA    LEU   89 + QD2   LEU   89  OK    94   100 100  94  1.8-2.0   365=71, 859/2.1=39, 3.0/3198=29, 3168/3185=19...(8)
      HA    ALA  115 - QD2   LEU   89  far    0   100   0   -  5.0-5.5
      QA    GLY  106 - QD2   LEU  345  far    0    87   0   -  6.3-12.3
      HA    ALA  116 - QD2   LEU   89  far    0    97   0   -  6.5-7.2
      QD    PRO   38 - QD2   LEU   45  far    0    96   0   -  7.5-11.5
      HA    GLN   59 - QD2   LEU   89  far    0    83   0   -  8.7-9.9
      HA    ALA  115 - QD2   LEU  345  far    0    98   0   -  8.9-29.4
      HA    GLN   82 - QD2   LEU   89  far    0    89   0   -  9.0-9.9
      HA    LEU   65 - QD2   LEU   89  far    0    87   0   -  9.4-10.3
      QA    GLY  106 - QD2   LEU   89  far    0    90   0   -  9.7-10.2
      HA    LEU   65 - QD2   LEU   45  far    0    83   0   - 10.0-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 857 from c13no.peaks (0.81, 0.81, 26.01 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QD1   LEU   89 + QD1   LEU   89  OK   100   100   - 100
      QD1   LEU   45 + QD1   LEU   45  OK    60    60   - 100
 
    Peak 859 from c13no.peaks (3.94, 0.81, 26.01 ppm; 3.86 A increased from 3.63 A):
    1 out of 8 assignments used, quality = 1.00:
    * HA    LEU   89 + QD1   LEU   89  OK   100   100 100 100  3.5-3.8   364=99, 856/2.1=90, 3.0/3196=49, ~3198=31...(6)
      QA    GLY  106 - QD1   LEU  345  far    0    50   0   -  6.3-10.1
      QD    PRO   38 - QD1   LEU   45  far    0    58   0   -  6.6-9.7
      HA    ALA  115 - QD1   LEU   89  far    0   100   0   -  6.9-7.5
      HA    GLN   82 - QD1   LEU   89  far    0    89   0   -  7.1-9.1
      HA    ALA  116 - QD1   LEU   89  far    0    97   0   -  9.1-9.6
      HA    ALA  115 - QD1   LEU  345  far    0    61   0   -  9.3-26.9
      HA    LEU   65 - QD1   LEU   45  far    0    47   0   -  9.6-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 861 from c13no.peaks (1.73, 1.73, 26.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU   89 + HG    LEU   89  OK   100   100   - 100
 
    Peak 865 from c13no.peaks (3.94, 1.73, 26.66 ppm; 4.63 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    LEU   89 + HG    LEU   89  OK   100   100 100 100  2.9-3.5   3.7=100
      HA    ALA  115 - HG    LEU   89  far    0   100   0   -  7.1-8.7
      HA    GLN   82 - HG    LEU   89  far    0    89   0   -  8.5-11.3
      HA    ALA  116 - HG    LEU   89  far    0    97   0   -  9.2-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 866 from c13no.peaks (1.33, 3.94, 59.00 ppm; 3.81 A):
    1 out of 7 assignments used, quality = 1.00:
    * HB3   LEU   89 + HA    LEU   89  OK   100   100 100 100  2.4-2.6   2.9=100
      HB3   LEU   65 - HA    LEU   89  far    0    90   0   -  6.4-7.5
      HB3   LEU   62 - HA    LEU   89  far    0    85   0   -  6.4-8.6
      HB3   LEU   86 - HA    GLN   82  far    0    81   0   -  7.0-7.4
      HB3   LEU   89 - HA    GLN   82  far    0    83   0   -  7.6-8.7
      HB3   LEU   86 - HA    LEU   89  far    0   100   0   -  8.2-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 869 from c13no.peaks (1.37, 1.37, 41.68 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   93 + HB3   LEU   93  OK   100   100   - 100
 
    Peak 871 from c13no.peaks (3.75, 1.37, 41.68 ppm; 3.66 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   93 + HB3   LEU   93  OK   100   100 100 100  2.6-3.0   2.9=100
      HA3   GLY   94 - HB3   LEU   93  far    0   100   0   -  4.2-4.9
      HA    LEU   62 - HB3   LEU   93  far    0    60   0   -  9.5-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 872 from c13no.peaks (2.00, 2.00, 27.63 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG    LEU   93 + HG    LEU   93  OK   100   100   - 100
      QG    PRO   75 + QG    PRO   75  OK    93    93   - 100
 
    Peak 874 from c13no.peaks (3.75, 2.00, 27.63 ppm; 3.93 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    LEU   93 + HG    LEU   93  OK   100   100 100 100  2.7-2.9   389=100, 881/2.1=85, 877/2.1=70, 3.0/3285=47...(20)
      HA    LEU   84 - QG    PRO   75  far    0    92   0   -  5.4-6.8
      HA3   GLY   94 - HG    LEU   93  far    0   100   0   -  5.5-6.9
      HA    LEU   62 - HG    LEU   93  far    0    60   0   -  8.3-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 875 from c13no.peaks (1.37, 3.75, 57.75 ppm; 3.79 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   LEU   93 + HA    LEU   93  OK   100   100 100 100  2.6-3.0   2.9=100
      HG    LEU   62 - HA    LEU   93  far    0    73   0   -  8.3-9.9
      HB3   LEU   65 - HA    LEU   93  far    0    83   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 876 from c13no.peaks (0.93, 0.93, 26.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   93 + QD1   LEU   93  OK   100   100   - 100
 
    Peak 877 from c13no.peaks (3.75, 0.93, 26.01 ppm; 3.93 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   93 + QD1   LEU   93  OK   100   100 100 100  3.8-3.8   3.9=98, 881/2.1=86, 2.9/3271=76, 389/2.1=72...(18)
      HA3   GLY   94 - QD1   LEU   93  far    0   100   0   -  5.7-6.1
      HA    LEU   62 - QD1   LEU   93  far    0    60   0   -  8.9-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 879 from c13no.peaks (0.80, 0.80, 23.98 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   93 + QD2   LEU   93  OK   100   100   - 100
 
    Peak 881 from c13no.peaks (3.75, 0.80, 23.98 ppm; 3.24 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   93 + QD2   LEU   93  OK   100   100 100 100  1.9-2.1   391=97, 389/2.1=50, 877/2.1=48, 3332/3318=47...(21)
      HA3   GLY   94 - QD2   LEU   93  far    0   100   0   -  5.9-6.3
      HA    LEU   62 - QD2   LEU   93  far    0    60   0   -  7.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 886 from c13no.peaks (4.19, 0.93, 26.66 ppm; 4.30 A increased from 3.62 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    LEU  118 + QD1   LEU  118  OK   100   100 100 100  4.1-4.1   3.8=100
      HA    ARG  103 - QD1   LEU  118  far    0    97   0   -  5.7-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 887 from c13no.peaks (4.19, 0.91, 23.43 ppm; 2.75 A):
    0 out of 2 assignments used, quality = 0.00:
    * HA    LEU  118 + QD2   LEU  118  far    0   100   0   -  3.3-3.5
      HA    ARG  103 + QD2   LEU  118  far    0    97   0   -  7.9-8.4
    Violated in 20 structures by 0.68 A.
 
    Peak 888 from c13no.peaks (4.19, 1.93, 26.98 ppm; 3.94 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    LEU  118 + HG    LEU  118  OK   100   100 100 100  3.6-3.6   528=100, 529/2.1=79, 2.9/3912=65, ~1305=38...(11)
      HA    ARG  103 - HG    LEU  118  far    0    97   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 890 from c13no.peaks (1.47, 0.91, 23.43 ppm; 3.19 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   LEU  118 + QD2   LEU  118  OK   100   100 100 100  3.0-3.1   3.1=100
      QB    ALA   42 - QD2   LEU  418  far    0    76   0   -  9.0-03.3
      QB    ALA  102 - QD2   LEU  118  far    0    83   0   -  9.1-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 891 from c13no.peaks (1.57, 1.57, 42.42 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU  122 + HB3   LEU  122  OK   100   100   - 100
 
    Peak 893 from c13no.peaks (4.31, 1.57, 42.42 ppm; 3.40 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU  122 + HB3   LEU  122  OK   100   100 100 100  2.3-2.4   3.0=100
      HA    ARG  123 - HB3   LEU  122  far    0    90   0   -  4.8-5.2
      HA    GLN  107 - HB3   LEU  122  far    0    89   0   -  9.6-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 895 from c13no.peaks (1.93, 1.93, 26.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU  122 + HG    LEU  122  OK   100   100   - 100
 
    Peak 897 from c13no.peaks (4.31, 1.93, 26.66 ppm; 4.00 A):
    2 out of 2 assignments used, quality = 1.00:
    * HA    LEU  122 + HG    LEU  122  OK   100   100 100 100  3.7-3.7   563=100, 564/2.1=81, 3.0/1324=79, 3.6/3989=49...(17)
      HA    ARG  123 + HG    LEU  122  OK    56    90  63 100  3.6-4.3   934/2.1=90, 2.9/3989=56, ~1302=36, ~3992=34...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 899 from c13no.peaks (0.87, 0.87, 26.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU  122 + QD1   LEU  122  OK   100   100   - 100
 
    Peak 900 from c13no.peaks (0.87, 0.87, 23.10 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QD2   LEU  122 + QD2   LEU  122  OK   100   100   - 100
      QD2   LEU   86 + QD2   LEU   86  OK    54    54   - 100
 
    Peak 902 from c13no.peaks (1.54, 0.92, 41.54 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   96 + HB3   LEU   96  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 903 from c13no.peaks (4.07, 0.92, 41.54 ppm; 4.62 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   96 + HB3   LEU   96  OK   100   100 100 100  2.6-2.8   3.0=100
      HA    GLU   90 - HB3   LEU   96  far    0    60   0   -  9.3-10.0
      HD2   PRO   58 - HB3   LEU   96  far    0    71   0   -  9.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 904 from c13no.peaks (0.92, 0.92, 41.54 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   LEU   96 + HB3   LEU   96  OK   100   100   - 100
 
    Peak 905 from c13no.peaks (0.54, 0.92, 41.54 ppm; 4.07 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   96 + HB3   LEU   96  OK   100   100 100 100  2.3-2.5   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 907 from c13no.peaks (1.54, 1.54, 41.54 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   96 + HB2   LEU   96  OK   100   100   - 100
 
    Peak 908 from c13no.peaks (-0.07, 0.92, 41.54 ppm; 4.28 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   96 + HB3   LEU   96  OK   100   100 100 100  2.3-3.2   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 909 from c13no.peaks (1.87, 0.92, 41.54 ppm; 4.37 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG    LEU   96 + HB3   LEU   96  OK   100   100 100 100  2.4-3.0   3.0=100
      QB    ALA   61 - HB3   LEU   96  far    0    85   0   -  8.1-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 910 from c13no.peaks (-0.07, 1.54, 41.54 ppm; 4.25 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   96 + HB2   LEU   96  OK   100   100 100 100  2.4-3.2   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 911 from c13no.peaks (0.54, 1.54, 41.54 ppm; 3.90 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   96 + HB2   LEU   96  OK   100   100 100 100  2.1-2.4   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 914 from c13no.peaks (4.07, 1.54, 41.54 ppm; 4.49 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    LEU   96 + HB2   LEU   96  OK   100   100 100 100  2.9-3.0   3.0=100
      HA    GLU   90 - HB2   LEU   96  far    0    60   0   -  7.7-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 915 from c13no.peaks (0.54, 4.07, 53.19 ppm; 4.95 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   96 + HA    LEU   96  OK   100   100 100 100  3.8-3.8   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 917 from c13no.peaks (0.54, 4.07, 53.19 ppm; 4.95 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   96 + HA    LEU   96  OK   100   100 100 100  3.8-3.8   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 918 from c13no.peaks (0.92, 4.07, 53.19 ppm; 4.16 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB3   LEU   96 + HA    LEU   96  OK   100   100 100 100  2.6-2.8   3.0=100
      QG2   ILE  100 - HA    LEU   96  far    0    83   0   -  4.3-4.6
      QD1   LEU   93 - HA    LEU   96  far    0    92   0   -  7.7-8.1
      QD1   LEU  118 - HA    LEU   96  far    0    96   0   -  8.0-8.5
      QG1   VAL   88 - HA    LEU   96  far    0    95   0   -  9.6-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 919 from c13no.peaks (1.87, 4.07, 53.19 ppm; 4.58 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG    LEU   96 + HA    LEU   96  OK   100   100 100 100  2.6-2.8   3.7=100
      QB    ALA   61 - HA    LEU   96  far    0    85   0   -  6.4-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 920 from c13no.peaks (1.54, 4.07, 53.19 ppm; 4.36 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   LEU   96 + HA    LEU   96  OK   100   100 100 100  2.9-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 921 from c13no.peaks (4.07, 4.07, 53.19 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    LEU   96 + HA    LEU   96  OK   100   100   - 100
 
    Peak 923 from c13no.peaks (1.87, 1.87, 25.04 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU   96 + HG    LEU   96  OK   100   100   - 100
 
    Peak 924 from c13no.peaks (4.07, 1.87, 25.04 ppm; 4.80 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    LEU   96 + HG    LEU   96  OK   100   100 100 100  2.6-2.8   3.7=100
      HA    GLU   90 - HG    LEU   96  far    0    60   0   -  8.0-10.6
      HD2   PRO   58 - HG    LEU   96  far    0    71   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 926 from c13no.peaks (0.54, 0.54, 26.34 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   96 + QD1   LEU   96  OK   100   100   - 100
 
    Peak 927 from c13no.peaks (4.07, 0.54, 26.34 ppm; 4.22 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    LEU   96 + QD1   LEU   96  OK   100   100 100 100  3.8-3.8   3.8=100
      HA    GLU   90 - QD1   LEU   96  far    0    60   0   -  6.7-7.6
      HD2   PRO   58 - QD1   LEU   96  far    0    71   0   -  7.2-7.6
      HA    GLU  114 - QD1   LEU   96  far    0    81   0   -  8.5-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 929 from c13no.peaks (-0.07, -0.07, 21.49 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   96 + QD2   LEU   96  OK   100   100   - 100
 
    Peak 931 from c13no.peaks (4.07, -0.07, 21.49 ppm; 3.33 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    LEU   96 + QD2   LEU   96  OK   100   100 100 100  1.9-2.0   3.8=67, 3.0/3347=38, 3.8/1751=37, 3.8/3327=34...(19)
      HD2   PRO   58 - QD2   LEU   96  far    0    71   0   -  5.8-6.5
      HA    GLU   90 - QD2   LEU   96  far    0    60   0   -  7.3-9.1
      HA    GLU  114 - QD2   LEU   96  far    0    81   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 932 from c13no.peaks (-0.07, 1.87, 25.04 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD2   LEU   96 + HG    LEU   96  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 933 from c13no.peaks (4.31, 0.87, 26.66 ppm; 4.32 A increased from 3.46 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    LEU  122 + QD1   LEU  122  OK   100   100 100 100  4.1-4.1   4.0=100
      HA    ARG  123 - QD1   LEU  122  far    0    90   0   -  5.0-5.4
      HA    GLN  107 - QD1   LEU  122  far    0    89   0   -  6.8-8.0
      HA    ARG  108 - QD1   LEU  122  far    0   100   0   -  7.9-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 934 from c13no.peaks (4.31, 0.87, 23.10 ppm; 3.10 A increased from 2.75 A):
    1 out of 5 assignments used, quality = 0.81:
      HA    ARG  123 + QD2   LEU  122  OK    81    90 100  90  2.8-3.0   2.9/1302=36, 2.5/4039=23, 3.6/1340=20, ~3989=18...(14)
    ! HA    LEU  122 - QD2   LEU  122  far    0   100   0   -  3.4-3.6
      HB2   SER  111 - QD2   LEU   86  far    0    78   0   -  6.4-8.1
      HA2   GLY  110 - QD2   LEU   86  far    0    38   0   -  7.2-8.5
      HA    GLN  107 - QD2   LEU  122  far    0    89   0   -  9.0-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 939 from c13no.peaks (3.84, 3.84, 44.13 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QA    GLY  128 + QA    GLY  128  OK   100   100   - 100
 
    Peak 942 from c13no.peaks (3.76, 3.76, 46.54 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA3   GLY   94 + HA3   GLY   94  OK   100   100   - 100
 
    Peak 943 from c13no.peaks (3.79, 3.76, 46.54 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA2   GLY   94 + HA3   GLY   94  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 944 from c13no.peaks (3.76, 3.79, 46.54 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA3   GLY   94 + HA2   GLY   94  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    LEU   93 - HA2   GLY   94  far    0   100   0   -  4.7-4.8
    Violated in 0 structures by 0.00 A.
 
    Peak 947 from c13no.peaks (4.42, 4.42, 45.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA2   GLY   57 + HA2   GLY   57  OK   100   100   - 100
 
    Peak 948 from c13no.peaks (4.21, 4.42, 45.43 ppm; 3.22 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA3   GLY   57 + HA2   GLY   57  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    GLU   53 - HA2   GLY   57  far    0    71   0   -  6.8-7.1
      HA    GLU   60 - HA2   GLY   57  far    0    92   0   -  7.2-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 950 from c13no.peaks (4.42, 4.21, 45.43 ppm; 3.23 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA2   GLY   57 + HA3   GLY   57  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    PRO  126 - HA3   GLY   57  far    0    93   0   -  9.2-18.5
    Violated in 0 structures by 0.00 A.
 
    Peak 951 from c13no.peaks (4.21, 4.21, 45.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA3   GLY   57 + HA3   GLY   57  OK   100   100   - 100
 
    Peak 953 from c13no.peaks (4.21, 4.21, 46.72 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA2   GLY   39 + HA2   GLY   39  OK   100   100   - 100
 
    Peak 954 from c13no.peaks (4.06, 4.21, 46.72 ppm; 2.80 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA3   GLY   39 + HA2   GLY   39  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    ALA   42 - HA2   GLY   39  far    0   100   0   -  6.8-7.4
      HA    ALA   43 - HA2   GLY   39  far    0    92   0   -  7.4-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 955 from c13no.peaks (4.21, 4.06, 46.72 ppm; 2.83 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA2   GLY   39 + HA3   GLY   39  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 956 from c13no.peaks (4.06, 4.06, 46.72 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA3   GLY   39 + HA3   GLY   39  OK   100   100   - 100
 
    Peak 959 from c13no.peaks (3.98, 3.98, 46.40 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QA    GLY  121 + QA    GLY  121  OK   100   100   - 100
      QA    GLY  106 + QA    GLY  106  OK    43    43   - 100
 
    Peak 962 from c13no.peaks (3.85, 3.85, 50.93 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HD2   PRO   40 + HD2   PRO   40  OK   100   100   - 100
      HD3   PRO   98 + HD3   PRO   98  OK    93    93   - 100
      HD2   PRO  126 + HD2   PRO  126  OK    50    50   - 100
 
    Peak 963 from c13no.peaks (2.27, 2.27, 27.95 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG2   PRO   40 + HG2   PRO   40  OK   100   100   - 100
      HG2   PRO   58 + HG2   PRO   58  OK    98    98   - 100
 
    Peak 966 from c13no.peaks (2.11, 4.69, 65.94 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   PRO   40 + HA    PRO   40  OK   100   100 100 100  4.0-4.0   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 971 from c13no.peaks (3.70, 3.70, 50.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO   40 + HD3   PRO   40  OK   100   100   - 100
 
    Peak 974 from c13no.peaks (2.11, 2.11, 27.95 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   PRO   40 + HG3   PRO   40  OK   100   100   - 100
      HG3   PRO   98 + HG3   PRO   98  OK    64    64   - 100
 
    Peak 978 from c13no.peaks (4.09, 4.61, 66.09 ppm; 5.50 A):
    2 out of 4 assignments used, quality = 1.00:
    * HD2   PRO   58 + HA    PRO   58  OK   100   100 100 100  3.6-3.6   3.6=100
      HA    TYR   52 + HA    PRO   58  OK    94    97 100  96  4.9-5.4   41/42=87, 2068/46=71, 2070/110=4
      HA    LEU   96 - HA    PRO   58  far    0    71   0   -  7.7-8.2
      HA    ALA   63 - HA    PRO   58  far    0    97   0   -  8.7-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 979 from c13no.peaks (3.81, 4.61, 66.09 ppm; 4.35 A):
    1 out of 4 assignments used, quality = 1.00:
    * HD3   PRO   58 + HA    PRO   58  OK   100   100 100 100  4.1-4.1   3.6=100
      HA    GLU   54 - HA    PRO   58  far    0    90   0   -  4.9-5.5
      HA    GLU  113 - HA    PRO   58  far    0    89   0   -  7.7-8.2
      HD2   PRO   97 - HA    PRO   58  far    0   100   0   -  8.1-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 982 from c13no.peaks (2.19, 2.19, 27.95 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   PRO   58 + HG3   PRO   58  OK   100   100   - 100
      HG2   PRO   98 + HG2   PRO   98  OK    65    65   - 100
 
    Peak 983 from c13no.peaks (3.81, 2.19, 27.95 ppm; 3.22 A):
    2 out of 9 assignments used, quality = 1.00:
    * HD3   PRO   58 + HG3   PRO   58  OK   100   100 100 100  2.3-2.7   2.3=100
      HD3   PRO   98 + HG2   PRO   98  OK    50    50 100 100  3.0-3.0   2.3=100
      QA    GLY  128 - HG2   PRO   98  far    0    45   0   -  5.4-24.6
      HA    GLU   54 - HG3   PRO   58  far    0    90   0   -  5.8-6.9
      HA    GLU  113 - HG3   PRO   58  far    0    89   0   -  6.8-8.2
      HD2   PRO   97 - HG2   PRO   98  far    0    68   0   -  7.3-7.4
      QA    GLY  128 - HG3   PRO   58  far    0    76   0   -  8.7-20.9
      HD2   PRO  126 - HG2   PRO   98  far    0    66   0   -  9.4-20.7
      HD2   PRO   97 - HG3   PRO   58  far    0   100   0   -  9.5-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 984 from c13no.peaks (4.09, 2.19, 27.95 ppm; 3.69 A):
    1 out of 6 assignments used, quality = 1.00:
    * HD2   PRO   58 + HG3   PRO   58  OK   100   100 100 100  2.3-3.0   2.3=100
      HA    TYR   52 - HG3   PRO   58  far    0    97   0   -  8.6-9.3
      HA    GLU  114 - HG3   PRO   58  far    0   100   0   -  8.6-9.1
      HA    LEU   96 - HG2   PRO   98  far    0    41   0   -  8.6-8.7
      HA    ALA   63 - HG3   PRO   58  far    0    97   0   -  9.5-12.2
      HA    LEU   96 - HG3   PRO   58  far    0    71   0   -  9.6-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 986 from c13no.peaks (4.61, 2.19, 27.95 ppm; 4.29 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   58 + HG3   PRO   58  OK   100   100 100 100  3.9-4.0   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 989 from c13no.peaks (4.09, 4.09, 50.28 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO   58 + HD2   PRO   58  OK   100   100   - 100
 
    Peak 990 from c13no.peaks (3.81, 3.81, 50.28 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO   58 + HD3   PRO   58  OK   100   100   - 100
 
    Peak 993 from c13no.peaks (2.19, 2.19, 27.95 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   PRO   58 + HG3   PRO   58  OK   100   100   - 100
      HG2   PRO   98 + HG2   PRO   98  OK    65    65   - 100
 
    Peak 995 from c13no.peaks (2.26, 4.09, 50.28 ppm; 3.71 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG2   PRO   58 + HD2   PRO   58  OK   100   100 100 100  2.3-3.0   2.3=100
      QG    GLU   54 - HD2   PRO   58  far    0   100   0   -  4.4-5.0
      HB    VAL  119 - HD2   PRO   58  far    0    98   0   -  4.6-5.2
      HG2   PRO   97 - HD2   PRO   58  far    0    76   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 996 from c13no.peaks (2.19, 4.09, 50.28 ppm; 3.83 A):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   PRO   58 + HD2   PRO   58  OK   100   100 100 100  2.3-3.0   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 997 from c13no.peaks (2.26, 2.26, 27.95 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG2   PRO   58 + HG2   PRO   58  OK   100   100   - 100
      HG2   PRO   40 + HG2   PRO   40  OK    98    98   - 100
 
    Peak 999 from c13no.peaks (4.00, 4.35, 64.12 ppm; 4.54 A):
    1 out of 3 assignments used, quality = 1.00:
    * HD2   PRO   75 + HA    PRO   75  OK   100   100 100 100  4.1-4.1   3.6=100
      HB3   SER   79 - HA    PRO   75  far    0   100   0   -  6.7-7.4
      HA    GLN   71 - HA    PRO   75  far    0    81   0   -  8.7-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1000 from c13no.peaks (3.18, 4.35, 64.12 ppm; 5.22 A):
    1 out of 3 assignments used, quality = 1.00:
    * HD3   PRO   75 + HA    PRO   75  OK   100   100 100 100  3.6-3.6   3.6=100
      HD3   ARG   70 - HA    PRO   75  far    0    93   0   -  6.3-8.1
      QD    ARG   74 - HA    PRO   75  far    0    89   0   -  6.5-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1001 from c13no.peaks (4.00, 4.00, 51.25 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO   75 + HD2   PRO   75  OK   100   100   - 100
 
    Peak 1002 from c13no.peaks (3.18, 3.18, 51.25 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO   75 + HD3   PRO   75  OK   100   100   - 100
 
    Peak 1005 from c13no.peaks (4.35, 3.18, 51.25 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   75 + HD3   PRO   75  OK   100   100 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1006 from c13no.peaks (4.35, 4.00, 51.25 ppm; 4.21 A increased from 3.74 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   75 + HD2   PRO   75  OK   100   100 100 100  4.1-4.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1009 from c13no.peaks (2.09, 3.18, 51.25 ppm; 4.34 A):
    1 out of 2 assignments used, quality = 1.00:
    * QB    PRO   75 + HD3   PRO   75  OK   100   100 100 100  2.9-2.9   2.9=100
      HG3   PRO   40 - HD3   PRO   75  far    0    78   0   -  9.7-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1010 from c13no.peaks (1.99, 3.18, 51.25 ppm; 3.80 A):
    2 out of 5 assignments used, quality = 1.00:
    * QG    PRO   75 + HD3   PRO   75  OK   100   100 100 100  2.2-2.2   2.2=100
      QB    ARG   70 + HD3   PRO   75  OK    66    99  68  99  2.7-4.1   2.5/1188=59, 2583=38, ~2687=37, ~2682=37...(12)
      QB    GLU   76 - HD3   PRO   75  far    0   100   0   -  6.0-6.4
      QB    GLN   82 - HD3   PRO   75  far    0    96   0   -  7.7-8.5
      HB2   GLU   81 - HD3   PRO   75  far    0    65   0   -  9.1-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1013 from c13no.peaks (1.99, 1.99, 27.63 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG    PRO   75 + QG    PRO   75  OK   100   100   - 100
      HG    LEU   93 + HG    LEU   93  OK    93    93   - 100
 
    Peak 1016 from c13no.peaks (3.60, 4.46, 62.99 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO  109 + HA    PRO  109  OK   100   100 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1017 from c13no.peaks (1.75, 4.46, 62.99 ppm; 4.63 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG3   PRO  109 + HA    PRO  109  OK   100   100 100 100  3.9-4.0   3.8=100
      HB2   ARG  108 - HA    PRO  109  far    0    92   0   -  4.9-5.6
      HG    LEU   89 - HA    PRO  109  far    0    89   0   -  7.5-9.4
      HG3   ARG  103 - HA    PRO  109  far    0   100   0   -  9.9-13.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1018 from c13no.peaks (1.89, 4.46, 62.99 ppm; 3.65 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   PRO  109 + HA    PRO  109  OK   100   100 100 100  2.7-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1019 from c13no.peaks (3.66, 3.66, 50.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO  109 + HD2   PRO  109  OK   100   100   - 100
 
    Peak 1020 from c13no.peaks (3.60, 3.60, 50.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO  109 + HD3   PRO  109  OK   100   100   - 100
 
    Peak 1025 from c13no.peaks (1.89, 1.89, 32.18 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   PRO  109 + HB3   PRO  109  OK   100   100   - 100
 
    Peak 1027 from c13no.peaks (2.10, 2.10, 28.28 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HG2   PRO  109 + HG2   PRO  109  OK   100   100   - 100
      HG3   PRO   97 + HG3   PRO   97  OK    98    98   - 100
      HG3   PRO   98 + HG3   PRO   98  OK    98    98   - 100
 
    Peak 1029 from c13no.peaks (1.75, 1.75, 28.28 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   PRO  109 + HG3   PRO  109  OK   100   100   - 100
 
    Peak 1031 from c13no.peaks (4.13, 4.13, 51.57 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO  112 + HD2   PRO  112  OK   100   100   - 100
 
    Peak 1032 from c13no.peaks (3.81, 3.81, 51.57 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO  112 + HD3   PRO  112  OK   100   100   - 100
 
    Peak 1035 from c13no.peaks (3.81, 3.98, 66.42 ppm; 4.16 A):
    1 out of 8 assignments used, quality = 1.00:
    * HD3   PRO  112 + HA    PRO  112  OK   100   100 100 100  3.6-3.6   3.6=100
      HA    GLU  113 - HA    PRO  112  far    0    99   0   -  4.7-4.8
      HA    LEU   62 - HA    PRO  112  far    0    71   0   -  6.2-6.9
      HA3   GLY  110 - HA    PRO  112  far    0    95   0   -  7.9-8.0
      HA    ARG   66 - HA    PRO  112  far    0    99   0   -  9.2-10.1
      HA2   GLY   94 - HA    PRO  112  far    0    87   0   -  9.4-10.3
      HA    GLU   81 - HA    PRO  112  far    0    65   0   -  9.5-10.5
      HA    VAL  104 - HA    PRO  112  far    0    98   0   -  9.8-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1036 from c13no.peaks (4.13, 3.98, 66.42 ppm; 4.28 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO  112 + HA    PRO  112  OK   100   100 100 100  4.1-4.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1037 from c13no.peaks (1.91, 3.98, 66.42 ppm; 3.75 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB3   PRO  112 + HA    PRO  112  OK   100   100 100 100  2.3-2.3   2.3=100
      HB2   LEU   93 - HA    PRO  112  far    0    78   0   -  4.3-6.8
      HB3   PRO  109 - HA    PRO  112  far    0    78   0   -  5.5-5.8
      HB3   GLU  113 - HA    PRO  112  far    0    97   0   -  6.5-6.6
      QB    ALA   61 - HA    PRO  112  far    0    92   0   -  7.0-7.6
      HG    LEU  118 - HA    PRO  112  far    0    68   0   -  7.5-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1038 from c13no.peaks (1.82, 3.98, 66.42 ppm; 4.01 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG3   PRO  112 + HA    PRO  112  OK   100   100 100 100  3.9-3.9   3.8=100
      HG2   GLN   91 - HA    PRO  112  far    0    90   0   -  8.3-9.9
      HG    LEU   86 - HA    PRO  112  far    0    90   0   -  9.9-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1040 from c13no.peaks (1.91, 1.91, 32.80 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   PRO  112 + HB3   PRO  112  OK   100   100   - 100
 
    Peak 1041 from c13no.peaks (2.10, 1.91, 32.80 ppm; 3.21 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB2   PRO  112 + HB3   PRO  112  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    GLU   85 - HB3   PRO  112  far    0    71   0   -  4.0-4.9
      QB    GLU  114 - HB3   PRO  112  far    0    90   0   -  6.7-7.2
      HG2   PRO  109 - HB3   PRO  112  far    0    99   0   -  7.2-8.3
      QB    GLN   59 - HB3   PRO  112  far    0    96   0   -  9.4-10.5
      HB3   PRO   58 - HB3   PRO  112  far    0    76   0   -  9.4-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1042 from c13no.peaks (3.98, 1.91, 32.80 ppm; 3.94 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    PRO  112 + HB3   PRO  112  OK   100   100 100 100  2.3-2.3   2.3=100
      HA    PHE   92 - HB3   PRO  112  far    0    95   0   -  5.8-6.7
      HB3   SER  111 - HB3   PRO  112  far    0    93   0   -  6.6-6.9
      HA    GLN   91 - HB3   PRO  112  far    0    97   0   -  7.5-8.2
      HA    GLN   59 - HB3   PRO  112  far    0    73   0   -  8.1-9.1
      HA    GLN   82 - HB3   PRO  112  far    0    65   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1045 from c13no.peaks (2.54, 2.54, 28.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   PRO  112 + HG2   PRO  112  OK   100   100   - 100
 
    Peak 1049 from c13no.peaks (3.98, 2.54, 28.60 ppm; 4.09 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    PRO  112 + HG2   PRO  112  OK   100   100 100 100  4.0-4.0   3.8=100
      HB3   SER  111 - HG2   PRO  112  far    0    93   0   -  5.7-6.4
      HA    GLN   82 - HG2   PRO  112  far    0    65   0   -  6.6-7.9
      HA    PHE   92 - HG2   PRO  112  far    0    95   0   -  7.9-8.9
      HA    GLN   59 - HG2   PRO  112  far    0    73   0   -  8.9-10.0
      HA    GLN   91 - HG2   PRO  112  far    0    97   0   -  9.0-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1050 from c13no.peaks (2.54, 1.82, 28.60 ppm; 3.43 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG2   PRO  112 + HG3   PRO  112  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   CYS   69 - HG3   PRO  112  far    0    63   0   -  9.3-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1051 from c13no.peaks (1.82, 1.82, 28.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   PRO  112 + HG3   PRO  112  OK   100   100   - 100
 
    Peak 1052 from c13no.peaks (3.98, 1.82, 28.60 ppm; 4.07 A increased from 3.83 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    PRO  112 + HG3   PRO  112  OK   100   100 100 100  3.9-3.9   3.8=100
      HB3   SER  111 - HG3   PRO  112  far    0    93   0   -  5.2-5.7
      HA    GLN   82 - HG3   PRO  112  far    0    65   0   -  7.0-8.4
      HA    GLN   59 - HG3   PRO  112  far    0    73   0   -  7.8-8.9
      HA    PHE   92 - HG3   PRO  112  far    0    95   0   -  8.5-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1057 from c13no.peaks (3.73, 4.44, 63.95 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO  126 + HA    PRO  126  OK   100   100 100 100  3.6-4.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1058 from c13no.peaks (1.98, 4.44, 63.95 ppm; 3.60 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   PRO  126 + HA    PRO  126  OK   100   100 100 100  2.3-2.3   2.3=100
      QB    ARG  123 - HA    PRO  126  far    2    99   3   -  3.4-9.6
      QB    GLU   76 - HA    PRO  426  far    0    98   0   -  9.3-38.6
      HB2   ARG  103 - HA    PRO  126  far    0    93   0   -  9.5-17.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1059 from c13no.peaks (2.07, 4.44, 63.95 ppm; 3.96 A):
    1 out of 4 assignments used, quality = 1.00:
    * QG    PRO  126 + HA    PRO  126  OK   100   100 100 100  3.5-3.5   3.5=100
      HB2   GLU  125 - HA    PRO  126  far    0    98   0   -  4.7-6.1
      QB    GLU   99 - HA    PRO  126  far    0    78   0   -  6.3-16.8
      HB2   GLU   41 - HA    PRO  426  far    0    90   0   -  7.5-50.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1061 from c13no.peaks (2.31, 1.98, 32.16 ppm; 2.40 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB2   PRO  126 + HB3   PRO  126  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    GLN  107 - HB2   PRO  109  far    0    90   0   -  4.2-5.2
      QG    GLU  125 - HB3   PRO  126  far    0    99   0   -  4.8-6.6
      QG    GLU   99 - HB3   PRO  126  far    0    68   0   -  8.0-15.9
      QB    GLN  107 - HB3   PRO  126  far    0    95   0   -  9.6-20.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1062 from c13no.peaks (1.98, 1.98, 32.16 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   PRO  126 + HB3   PRO  126  OK   100   100   - 100
      HB2   PRO  109 + HB2   PRO  109  OK    95    95   - 100
 
    Peak 1064 from c13no.peaks (2.07, 2.07, 27.63 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    PRO  126 + QG    PRO  126  OK   100   100   - 100
 
    Peak 1066 from c13no.peaks (3.82, 2.07, 27.63 ppm; 3.23 A):
    1 out of 6 assignments used, quality = 1.00:
    * HD2   PRO  126 + QG    PRO  126  OK   100   100 100 100  2.2-2.2   2.2=100
      QA    GLY  128 - QG    PRO  126  far    0    90   0   -  3.6-7.0
      HD3   PRO   58 - QG    PRO  126  far    0    99   0   -  8.4-16.4
      HD2   PRO   40 - QG    PRO  426  far    0    76   0   -  9.2-31.6
      HA    GLU   54 - QG    PRO  126  far    0    98   0   -  9.3-16.5
      HA    VAL  104 - QG    PRO  126  far    0    71   0   -  9.8-18.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1067 from c13no.peaks (3.82, 3.82, 50.93 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HD2   PRO  126 + HD2   PRO  126  OK   100   100   - 100
      HD3   PRO   98 + HD3   PRO   98  OK    86    86   - 100
      HD2   PRO   40 + HD2   PRO   40  OK    50    50   - 100
 
    Peak 1068 from c13no.peaks (3.73, 3.73, 50.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO  126 + HD3   PRO  126  OK   100   100   - 100
 
    Peak 1073 from c13no.peaks (2.27, 2.08, 32.81 ppm; 2.49 A):
    1 out of 8 assignments used, quality = 1.00:
    * HB2   PRO   38 + HB3   PRO   38  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   LEU   89 - HB2   PRO  112  far    0    87   0   -  5.5-6.4
      HG2   PRO   40 - HB3   PRO   38  far    0   100   0   -  6.5-9.0
      HG3   GLU  114 - HB2   PRO  112  far    0    86   0   -  6.7-7.8
      HG3   GLU   85 - HB2   PRO  112  far    0    83   0   -  6.8-8.0
      HB    VAL  119 - HB2   PRO  112  far    0    86   0   -  9.2-11.3
      HG2   PRO   58 - HB2   PRO  112  far    0    85   0   -  9.6-10.5
      HB2   GLN   64 - HB2   PRO  112  far    0    73   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1074 from c13no.peaks (4.52, 2.08, 32.81 ppm; 3.45 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    PRO   38 + HB3   PRO   38  OK   100   100 100 100  2.7-2.7   2.3=100
      HA    LEU   87 - HB2   PRO  112  far    0    53   0   -  8.5-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1075 from c13no.peaks (2.08, 2.08, 32.81 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   PRO   38 + HB3   PRO   38  OK   100   100   - 100
      HB2   PRO  112 + HB2   PRO  112  OK    70    70   - 100
 
    Peak 1077 from c13no.peaks (2.04, 2.04, 26.98 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG    PRO   38 + QG    PRO   38  OK   100   100   - 100
      HG    LEU   68 + HG    LEU   68  OK    98    98   - 100
 
    Peak 1079 from c13no.peaks (3.93, 3.93, 51.25 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    PRO   38 + QD    PRO   38  OK   100   100   - 100
 
    Peak 1081 from c13no.peaks (3.83, 4.16, 66.36 ppm; 4.40 A):
    1 out of 3 assignments used, quality = 1.00:
    * HD3   PRO   98 + HA    PRO   98  OK   100   100 100 100  3.6-3.6   3.6=100
      HD2   PRO   97 - HA    PRO   98  far    0    89   0   -  7.1-7.1
      QA    GLY  128 - HA    PRO   98  far    0   100   0   -  7.5-25.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1082 from c13no.peaks (2.10, 4.16, 66.36 ppm; 4.10 A increased from 3.28 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG3   PRO   98 + HA    PRO   98  OK   100   100 100 100  4.0-4.0   3.8=100
      HG3   PRO   97 - HA    PRO   98  far    0   100   0   -  5.5-6.9
      QB    GLN  105 - HA    PRO   98  far    0    99   0   -  7.3-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1083 from c13no.peaks (1.99, 4.16, 66.36 ppm; 3.18 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   PRO   98 + HA    PRO   98  OK   100   100 100 100  2.3-2.3   2.3=100
      HB2   ARG  103 - HA    PRO   98  far    0    99   0   -  7.7-8.5
      HG    LEU   93 - HA    PRO   98  far    0    99   0   -  9.0-12.1
      HB    VAL  104 - HA    PRO   98  far    0    76   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1087 from c13no.peaks (3.90, 3.90, 50.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO   98 + HD2   PRO   98  OK   100   100   - 100
 
    Peak 1089 from c13no.peaks (3.83, 3.83, 50.93 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HD3   PRO   98 + HD3   PRO   98  OK   100   100   - 100
      HD2   PRO   40 + HD2   PRO   40  OK    93    93   - 100
      HD2   PRO  126 + HD2   PRO  126  OK    86    86   - 100
 
    Peak 1092 from c13no.peaks (2.19, 2.19, 28.20 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG2   PRO   98 + HG2   PRO   98  OK   100   100   - 100
      HG3   PRO   58 + HG3   PRO   58  OK    65    65   - 100
 
    Peak 1093 from c13no.peaks (2.10, 2.10, 28.20 ppm; diagonal):
    4 out of 4 assignments used, quality = 1.00:
    * HG3   PRO   98 + HG3   PRO   98  OK   100   100   - 100
      HG3   PRO   97 + HG3   PRO   97  OK    98    98   - 100
      HG2   PRO  109 + HG2   PRO  109  OK    98    98   - 100
      HG3   PRO   40 + HG3   PRO   40  OK    64    64   - 100
 
    Peak 1096 from c13no.peaks (2.19, 4.16, 66.36 ppm; 3.91 A):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   PRO   98 + HA    PRO   98  OK   100   100 100 100  3.9-3.9   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1097 from c13no.peaks (5.02, 5.02, 55.78 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    SER  111 + HA    SER  111  OK   100   100   - 100
 
    Peak 1098 from c13no.peaks (4.31, 4.31, 64.83 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   SER  111 + HB2   SER  111  OK   100   100   - 100
 
    Peak 1099 from c13no.peaks (3.99, 3.99, 64.83 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   SER  111 + HB3   SER  111  OK   100   100   - 100
 
    Peak 1102 from c13no.peaks (4.00, 4.00, 65.81 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   SER   79 + HB3   SER   79  OK   100   100   - 100
 
    Peak 1103 from c13no.peaks (4.45, 4.45, 65.81 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   SER   79 + HB2   SER   79  OK   100   100   - 100
 
    Peak 1106 from c13no.peaks (3.24, 3.24, 50.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO   97 + HD3   PRO   97  OK   100   100   - 100
 
    Peak 1108 from c13no.peaks (3.82, 3.24, 50.60 ppm; 3.37 A):
    1 out of 5 assignments used, quality = 1.00:
    * HD2   PRO   97 + HD3   PRO   97  OK   100   100 100 100  1.8-1.8   1.8=100
      HD3   PRO   98 - HD3   PRO   97  far    0    89   0   -  6.2-6.2
      HA    GLU   54 - HD3   PRO   97  far    0    95   0   -  7.4-8.3
      HA    VAL  104 - HD3   PRO   97  far    0    81   0   -  9.0-9.4
      QA    GLY  128 - HD3   PRO   97  far    0    83   0   -  9.0-21.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1109 from c13no.peaks (3.82, 3.82, 50.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   PRO   97 + HD2   PRO   97  OK   100   100   - 100
 
    Peak 1110 from c13no.peaks (3.24, 3.82, 50.60 ppm; 3.38 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO   97 + HD2   PRO   97  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1113 from c13no.peaks (4.76, 4.76, 61.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    PRO   97 + HA    PRO   97  OK   100   100   - 100
 
    Peak 1114 from c13no.peaks (3.82, 4.76, 61.93 ppm; 5.38 A):
    2 out of 3 assignments used, quality = 1.00:
    * HD2   PRO   97 + HA    PRO   97  OK   100   100 100 100  3.6-3.6   3.6=100
      HD3   PRO   98 + HA    PRO   97  OK    89    89 100 100  2.4-2.4   2.5=100
      QA    GLY  128 - HA    PRO   97  far    0    83   0   -  8.6-24.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1115 from c13no.peaks (3.24, 4.76, 61.93 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   PRO   97 + HA    PRO   97  OK   100   100 100 100  4.1-4.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1116 from c13no.peaks (2.58, 4.76, 61.93 ppm; 5.11 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PRO   97 + HA    PRO   97  OK   100   100 100 100  2.7-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1117 from c13no.peaks (2.03, 4.76, 61.93 ppm; 5.50 A):
    4 out of 5 assignments used, quality = 1.00:
    * HB3   PRO   97 + HA    PRO   97  OK   100   100 100 100  2.3-2.3   2.3=100
      HG3   GLN  101 + HA    PRO   97  OK    85    87 100  98  4.1-4.6   4094/4.5=59, 1184/5.9=52, 4093/6.0=47, 4090/6.0=44...(7)
      HB2   GLN  101 + HA    PRO   97  OK    37    78 100  48  4.7-5.1   3506/6.4=33, 3316/6.0=22
      QB    GLU   99 + HA    PRO   97  OK    28    97  30  97  5.5-6.3   1191/1190=72, ~465=49, ~3444=45, ~3445=44
      QB    GLU   54 - HA    PRO   97  far    0    89   0   -  9.0-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1118 from c13no.peaks (2.10, 4.76, 61.93 ppm; 5.50 A):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   PRO   97 + HA    PRO   97  OK   100   100 100 100  3.9-4.0   3.8=100
      HG3   PRO   98 + HA    PRO   97  OK   100   100 100 100  4.6-4.6   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1119 from c13no.peaks (2.28, 4.76, 61.93 ppm; 5.50 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   PRO   97 + HA    PRO   97  OK   100   100 100 100  3.9-4.0   3.8=100
      QG    GLU   54 - HA    PRO   97  far    0    83   0   -  7.2-8.1
      HB    VAL  119 - HA    PRO   97  far    0    93   0   -  9.5-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1121 from c13no.peaks (2.58, 2.58, 31.19 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   PRO   97 + HB2   PRO   97  OK   100   100   - 100
 
    Peak 1122 from c13no.peaks (2.03, 2.03, 31.19 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   PRO   97 + HB3   PRO   97  OK   100   100   - 100
 
    Peak 1127 from c13no.peaks (2.28, 2.28, 28.28 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   PRO   97 + HG2   PRO   97  OK   100   100   - 100
 
    Peak 1128 from c13no.peaks (2.10, 2.10, 28.28 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HG3   PRO   97 + HG3   PRO   97  OK   100   100   - 100
      HG3   PRO   98 + HG3   PRO   98  OK    98    98   - 100
      HG2   PRO  109 + HG2   PRO  109  OK    98    98   - 100
 
    Peak 1133 from c13no.peaks (2.79, 2.79, 41.87 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   ASP   37 + HB2   ASP   37  OK   100   100   - 100
 
    Peak 1134 from c13no.peaks (2.64, 2.64, 41.87 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ASP   37 + HB3   ASP   37  OK   100   100   - 100
 
    Peak 1138 from c13no.peaks (2.79, 4.93, 52.55 ppm; 3.63 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   ASP   37 + HA    ASP   37  OK   100   100 100 100  2.7-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1139 from c13no.peaks (2.64, 4.93, 52.55 ppm; 3.32 A):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ASP   37 + HA    ASP   37  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1142 from c13no.peaks (4.93, 4.93, 52.55 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ASP   37 + HA    ASP   37  OK   100   100   - 100
 
    Peak 1143 from c13no.peaks (0.29, 0.29, 29.57 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ARG   44 + HB3   ARG   44  OK   100   100   - 100
 
    Peak 1144 from c13no.peaks (1.50, 1.50, 29.57 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   ARG   44 + HB2   ARG   44  OK   100   100   - 100
 
    Peak 1145 from c13no.peaks (2.61, 2.61, 42.84 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   ARG   44 + HD3   ARG   44  OK   100   100   - 100
 
    Peak 1146 from c13no.peaks (3.18, 3.18, 42.84 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   ARG   44 + HD2   ARG   44  OK   100   100   - 100
 
    Peak 1149 from c13no.peaks (2.61, 2.73, 60.63 ppm; 4.82 A increased from 4.54 A):
    1 out of 3 assignments used, quality = 0.99:
    * HD3   ARG   44 + HA    ARG   44  OK    99   100 100  99  3.0-4.8   5.4=73, 1.8/1150=68, 1834/2.9=57, ~705=42...(7)
      HB2   CYS   69 - HA    ARG   44  far   10    99  10   -  4.7-7.2
      HB3   PHE   50 - HA    ARG   44  far    0    99   0   -  8.4-9.3
    Violated in 3 structures by 0.01 A.
 
    Peak 1150 from c13no.peaks (3.18, 2.73, 60.63 ppm; 5.33 A):
    1 out of 3 assignments used, quality = 1.00:
    * HD2   ARG   44 + HA    ARG   44  OK   100   100 100 100  3.1-5.0   5.4=98, 1.8/1149=91, 705/2.9=67, ~706=53...(7)
      QD    ARG   74 - HA    ARG   44  far    0    96   0   -  7.6-9.6
      HD3   ARG   70 - HA    ARG   44  far    0    85   0   -  9.7-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1151 from c13no.peaks (0.29, 2.73, 60.63 ppm; 4.57 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   ARG   44 + HA    ARG   44  OK   100   100 100 100  2.3-2.7   3.0=100
      QD1   LEU   73 - HA    ARG   44  far    0    93   0   -  4.9-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1152 from c13no.peaks (1.50, 2.73, 60.63 ppm; 4.59 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB2   ARG   44 + HA    ARG   44  OK   100   100 100 100  2.5-3.0   3.0=100
      HB3   LEU   68 - HA    ARG   44  far    0    95   0   -  5.2-6.9
      QB    ALA  117 - HA    ARG  344  far    0    83   0   -  8.6-32.5
      HG3   ARG   70 - HA    ARG   44  far    0    68   0   -  9.7-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1153 from c13no.peaks (-0.75, 2.73, 60.63 ppm; 4.73 A):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   ARG   44 + HA    ARG   44  OK   100   100 100 100  2.1-4.0   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1154 from c13no.peaks (0.60, 2.73, 60.63 ppm; 4.73 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   ARG   44 + HA    ARG   44  OK   100   100 100 100  2.6-3.5   3.9=100
      QD2   LEU   65 - HA    ARG   44  far    0    99   0   -  6.5-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1160 from c13no.peaks (0.60, 0.60, 26.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   ARG   44 + HG2   ARG   44  OK   100   100   - 100
 
    Peak 1161 from c13no.peaks (-0.75, -0.75, 26.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   ARG   44 + HG3   ARG   44  OK   100   100   - 100
 
    Peak 1166 from c13no.peaks (1.65, 1.65, 28.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    ARG   46 + QG    ARG   46  OK   100   100   - 100
 
    Peak 1167 from c13no.peaks (3.98, 1.65, 28.60 ppm; 3.58 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    ARG   46 + QG    ARG   46  OK   100   100 100 100  2.0-2.7   3.3=100
      HA    GLN   71 - QG    ARG   46  far    0   100   0   -  8.6-12.0
      QA    GLY  121 - QG    ARG  346  far    0   100   0   -  9.5-22.2
      QA    GLY  106 - QG    ARG  346  far    0    60   0   -  9.9-17.5
      HA    GLN   91 - QG    ARG   46  far    0    97   0   - 10.0-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1169 from c13no.peaks (3.25, 3.25, 43.81 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QD    ARG   46 + QD    ARG   46  OK   100   100   - 100
      QD    ARG  103 + QD    ARG  103  OK    93    93   - 100
 
    Peak 1170 from c13no.peaks (3.98, 3.25, 43.81 ppm; 3.81 A increased from 3.39 A):
    1 out of 9 assignments used, quality = 0.92:
    * HA    ARG   46 + QD    ARG   46  OK    92   100  95  97  2.1-3.7   4.2=72, 3.0/661=57, ~664=38, ~1961=31...(6)
      QA    GLY  127 - QD    ARG  103  far    2    90   3   -  3.1-15.4
      QA    GLY  106 - QD    ARG  103  far    0    55   0   -  4.1-5.1
      HA    ILE  100 - QD    ARG  103  far    0    53   0   -  5.0-5.4
      QA    GLY  121 - QD    ARG  103  far    0    97   0   -  7.1-8.3
      HA    GLN  105 - QD    ARG  103  far    0    95   0   -  7.2-8.0
      QA    GLY  106 - QD    ARG  346  far    0    60   0   -  8.3-16.6
      HA    GLN   71 - QD    ARG   46  far    0   100   0   -  8.4-11.4
      QA    GLY  121 - QD    ARG  346  far    0   100   0   -  9.7-21.3
    Violated in 2 structures by 0.05 A.
 
    Peak 1172 from c13no.peaks (3.83, 3.83, 55.78 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   48 + HA    ARG   48  OK   100   100   - 100
 
    Peak 1173 from c13no.peaks (2.84, 3.83, 55.78 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 0.99:
    * QD    ARG   48 + HA    ARG   48  OK    99   100 100  99  2.0-3.8   1185=91, 744/2.9=45, 2.5/1350=35, ~747=31...(7)
    Violated in 2 structures by 0.00 A.
 
    Peak 1174 from c13no.peaks (1.78, 3.83, 55.78 ppm; 4.09 A):
    1 out of 3 assignments used, quality = 1.00:
    * QB    ARG   48 + HA    ARG   48  OK   100   100 100 100  2.3-2.5   2.5=100
      HG    LEU   87 - HA    ARG   48  far    0    68   0   -  7.6-8.4
      HB2   LEU   45 - HA    ARG   48  far    0    65   0   -  7.9-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1176 from c13no.peaks (1.62, 3.83, 55.78 ppm; 4.26 A):
    1 out of 5 assignments used, quality = 1.00:
    * QG    ARG   48 + HA    ARG   48  OK   100   100 100 100  2.0-2.8   3.4=100
      QB    ALA   95 - HA    ARG   48  far    0    99   0   -  5.1-5.7
      QG    ARG   46 - HA    ARG   48  far    0    60   0   -  6.6-8.2
      HG    LEU   45 - HA    ARG   48  far    0   100   0   -  7.4-9.5
      QB    ALA   43 - HA    ARG   48  far    0    98   0   -  8.0-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1177 from c13no.peaks (2.84, 2.84, 42.84 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    ARG   48 + QD    ARG   48  OK   100   100   - 100
 
    Peak 1178 from c13no.peaks (1.62, 1.62, 26.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    ARG   48 + QG    ARG   48  OK   100   100   - 100
 
    Peak 1179 from c13no.peaks (3.83, 1.62, 26.01 ppm; 4.72 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   48 + QG    ARG   48  OK   100   100 100 100  2.0-2.8   3.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1181 from c13no.peaks (1.78, 1.78, 29.90 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ARG   48 + QB    ARG   48  OK   100   100   - 100
 
    Peak 1182 from c13no.peaks (3.83, 1.78, 29.90 ppm; 4.22 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   48 + QB    ARG   48  OK   100   100 100 100  2.3-2.5   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1185 from c13no.peaks (3.83, 2.84, 42.84 ppm; 3.89 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   48 + QD    ARG   48  OK   100   100 100 100  2.0-3.8   1173=100, 2.9/744=48, 1350/2.5=38, ~747=33...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1188 from c13no.peaks (3.16, 3.62, 60.59 ppm; 3.81 A):
    1 out of 2 assignments used, quality = 0.92:
      HD3   PRO   75 + HA    ARG   70  OK    92    93 100  99  2.1-3.1   2688=73, 1.8/2687=64, 2704/314=40, 2680/2996=33...(11)
    ! HD3   ARG   70 - HA    ARG   70  far    8   100   8   -  3.8-4.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1189 from c13no.peaks (1.75, 1.75, 28.60 ppm; diagonal):
    1 out of 1 assignment used, quality = 0.78:
    * HG2   ARG   70 + HG2   ARG   70  OK    78    78   - 100
 
    Peak 1190 from c13no.peaks (1.53, 1.53, 28.98 ppm; diagonal):
    1 out of 1 assignment used, quality = 0.90:
    * HG3   ARG   70 + HG3   ARG   70  OK    90    90   - 100
 
    Peak 1193 from c13no.peaks (3.62, 1.75, 28.60 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 0.78:
    * HA    ARG   70 + HG2   ARG   70  OK    78    78 100 100  2.5-2.7   1195=100, 213/1.8=54, 214/3.0=49, 2996/2574=47...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1195 from c13no.peaks (1.75, 3.62, 60.59 ppm; 3.70 A):
    1 out of 6 assignments used, quality = 1.00:
    * HG2   ARG   70 + HA    ARG   70  OK   100   100 100 100  2.5-2.7   1193=96, 1.8/213=53, 3.0/214=48, 2574/2996=47...(12)
      QE    MET   83 - HA    ARG   70  far    5    60   8   -  3.6-4.7
      QB    LEU   84 - HA    ARG   70  far    0    97   0   -  4.7-5.5
      QD    LYS   80 - HA    ARG   70  far    0   100   0   -  5.8-7.8
      HB2   LEU   86 - HA    ARG   70  far    0    83   0   -  8.8-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1196 from c13no.peaks (3.23, 3.23, 43.16 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   ARG   70 + HD2   ARG   70  OK   100   100   - 100
 
    Peak 1197 from c13no.peaks (3.16, 3.16, 43.16 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   ARG   70 + HD3   ARG   70  OK   100   100   - 100
 
    Peak 1200 from c13no.peaks (1.53, 1.53, 32.61 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ARG   78 + HB3   ARG   78  OK   100   100   - 100
 
    Peak 1201 from c13no.peaks (1.53, 4.63, 56.61 ppm; 3.73 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   ARG   78 + HA    ARG   78  OK   100   100 100 100  3.0-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1205 from c13no.peaks (1.77, 1.77, 30.22 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG2   ARG   78 + HG2   ARG   78  OK   100   100   - 100
      HB3   GLU   53 + HB3   GLU   53  OK    54    54   - 100
 
    Peak 1206 from c13no.peaks (1.48, 1.48, 30.22 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   ARG   78 + HG3   ARG   78  OK   100   100   - 100
 
    Peak 1209 from c13no.peaks (1.48, 4.63, 56.61 ppm; 4.09 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG3   ARG   78 + HA    ARG   78  OK   100   100 100 100  2.4-3.2   4.2=95, 1.8/272=88, 2831/3.0=52, 3.0/273=48...(16)
      HB3   LYS   80 - HA    ARG   78  far    0    85   0   -  8.8-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1210 from c13no.peaks (3.06, 3.06, 43.48 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HD2   ARG   78 + HD2   ARG   78  OK   100   100   - 100
      HD3   ARG   66 + HD3   ARG   66  OK    43    43   - 100
      HD2   ARG   66 + HD2   ARG   66  OK    39    39   - 100
 
    Peak 1211 from c13no.peaks (2.77, 2.77, 43.48 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   ARG   78 + HD3   ARG   78  OK   100   100   - 100
 
    Peak 1219 from c13no.peaks (4.33, 4.33, 57.00 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG  123 + HA    ARG  123  OK   100   100   - 100
 
    Peak 1220 from c13no.peaks (3.32, 4.33, 57.00 ppm; 4.64 A):
    1 out of 1 assignment used, quality = 1.00:
    * QD    ARG  123 + HA    ARG  123  OK   100   100 100 100  1.9-4.3   4.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1221 from c13no.peaks (1.97, 1.97, 30.87 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QB    ARG  123 + QB    ARG  123  OK   100   100   - 100
 
    Peak 1222 from c13no.peaks (4.33, 1.97, 30.87 ppm; 3.08 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    ARG  123 + QB    ARG  123  OK   100   100 100 100  2.2-2.5   2.5=100
      HA    LEU  122 - QB    ARG  123  far    0    90   0   -  4.9-5.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1223 from c13no.peaks (1.82, 1.82, 27.63 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HG2   ARG  123 + HG2   ARG  123  OK   100   100   - 100
      HG2   ARG  103 + HG2   ARG  103  OK    91    91   - 100
      HG    LEU   86 + HG    LEU   86  OK    77    77   - 100
 
    Peak 1224 from c13no.peaks (1.75, 1.75, 27.63 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   ARG  123 + HG3   ARG  123  OK   100   100   - 100
      HG3   ARG  103 + HG3   ARG  103  OK    95    95   - 100
 
    Peak 1226 from c13no.peaks (3.32, 1.75, 27.63 ppm; 3.19 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD    ARG  123 + HG3   ARG  123  OK   100   100 100 100  2.1-2.5   2.5=100
      QD    ARG  123 - HG3   ARG  103  far    0    98   0   -  8.6-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1228 from c13no.peaks (3.32, 1.82, 27.63 ppm; 3.15 A):
    1 out of 2 assignments used, quality = 1.00:
    * QD    ARG  123 + HG2   ARG  123  OK   100   100 100 100  2.1-2.5   2.5=100
      QD    ARG  123 - HG2   ARG  103  far    0    97   0   -  7.3-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1230 from c13no.peaks (1.97, 4.33, 57.00 ppm; 3.02 A):
    1 out of 4 assignments used, quality = 1.00:
    * QB    ARG  123 + HA    ARG  123  OK   100   100 100 100  2.2-2.5   2.5=100
      HB3   PRO  126 - HA    ARG  123  far    0    99   0   -  5.0-11.8
      HB2   ARG  103 - HA    ARG  123  far    0    78   0   -  7.3-8.3
      HB    VAL  104 - HA    ARG  123  far    0    99   0   -  9.1-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1231 from c13no.peaks (1.82, 4.33, 57.00 ppm; 3.79 A increased from 3.37 A):
    1 out of 6 assignments used, quality = 1.00:
    * HG2   ARG  123 + HA    ARG  123  OK   100   100 100 100  2.2-3.8   4034=100, 1.8/4033=74, 1301/2.9=58, ~4043=31...(11)
      HB3   ARG  124 - HA    ARG  123  far    0    76   0   -  4.2-6.2
      HB2   LEU  122 - HA    ARG  123  far    0    68   0   -  5.7-5.8
      HG2   ARG  103 - HA    ARG  123  far    0    97   0   -  6.4-7.4
      HB    ILE  100 - HA    ARG  123  far    0    99   0   -  6.8-8.6
      HB3   GLU   41 - HA    ARG  423  far    0    68   0   -  7.2-48.1
    Violated in 2 structures by 0.00 A.
 
    Peak 1232 from c13no.peaks (1.75, 4.33, 57.00 ppm; 3.94 A increased from 3.31 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG3   ARG  123 + HA    ARG  123  OK   100   100 100 100  2.1-3.8   3.9=100
      HG3   ARG  103 - HA    ARG  123  far    0    98   0   -  7.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1233 from c13no.peaks (3.32, 3.32, 44.13 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    ARG  123 + QD    ARG  123  OK   100   100   - 100
 
    Peak 1235 from c13no.peaks (4.33, 3.32, 44.13 ppm; 4.42 A increased from 3.93 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    ARG  123 + QD    ARG  123  OK   100   100 100 100  1.9-4.3   4.2=100
      HA    LEU  122 - QD    ARG  123  far    0    90   0   -  5.8-7.5
      HA    ALA   61 - QD    ARG  123  far    0    97   0   -  9.8-11.1
    Violated in 1 structures by 0.00 A.
 
    Peak 1238 from c13no.peaks (1.80, 4.37, 56.29 ppm; 3.29 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB3   ARG  124 + HA    ARG  124  OK   100   100 100 100  2.3-3.0   3.0=100
      HG2   ARG  123 - HA    ARG  124  far    0    76   0   -  3.4-7.2
      HB3   GLU   41 - HA    ARG  424  far    0   100   0   -  6.4-49.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1240 from c13no.peaks (1.80, 1.80, 31.47 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ARG  124 + HB3   ARG  124  OK   100   100   - 100
 
    Peak 1242 from c13no.peaks (4.37, 1.80, 31.47 ppm; 3.61 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG  124 + HB3   ARG  124  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1243 from c13no.peaks (1.68, 1.68, 27.31 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    ARG  124 + QG    ARG  124  OK   100   100   - 100
 
    Peak 1244 from c13no.peaks (4.37, 1.68, 27.31 ppm; 3.90 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG  124 + QG    ARG  124  OK   100   100 100 100  2.1-3.3   3.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1246 from c13no.peaks (3.22, 3.22, 43.48 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    ARG  124 + QD    ARG  124  OK   100   100   - 100
 
    Peak 1247 from c13no.peaks (4.37, 3.22, 43.48 ppm; 4.32 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG  124 + QD    ARG  124  OK   100   100 100 100  3.4-4.3   4.4=95, 3.0/4051=87, 3.0/4052=86, ~1339=41...(7)
    Violated in 1 structures by 0.00 A.
 
    Peak 1251 from c13no.peaks (4.32, 4.32, 55.46 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HA    ARG  108 + HA    ARG  108  OK   100   100   - 100
      HA    ALA   61 + HA    ALA   61  OK    75    75   - 100
      HA    GLN  107 + HA    GLN  107  OK    54    54   - 100
 
    Peak 1252 from c13no.peaks (4.13, 4.13, 55.78 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   74 + HA    ARG   74  OK   100   100   - 100
 
    Peak 1253 from c13no.peaks (1.76, 1.76, 28.93 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   ARG  108 + HB2   ARG  108  OK   100   100   - 100
      HG2   ARG   70 + HG2   ARG   70  OK    61    61   - 100
 
    Peak 1254 from c13no.peaks (1.71, 1.71, 28.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB3   ARG  108 + HB3   ARG  108  OK   100   100   - 100
 
    Peak 1255 from c13no.peaks (1.59, 1.59, 27.31 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG    ARG   74 + QG    ARG   74  OK   100   100   - 100
      HG    LEU   45 + HG    LEU   45  OK    29    29   - 100
 
    Peak 1256 from c13no.peaks (1.53, 1.53, 26.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    ARG  108 + QG    ARG  108  OK   100   100   - 100
 
    Peak 1257 from c13no.peaks (3.27, 3.27, 43.48 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   ARG  108 + HD2   ARG  108  OK   100   100   - 100
 
    Peak 1258 from c13no.peaks (3.15, 3.15, 43.48 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD3   ARG  108 + HD3   ARG  108  OK   100   100   - 100
 
    Peak 1259 from c13no.peaks (3.19, 3.19, 44.13 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    ARG   74 + QD    ARG   74  OK   100   100   - 100
 
    Peak 1263 from c13no.peaks (4.13, 4.13, 55.78 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    ARG   74 + HA    ARG   74  OK   100   100   - 100
 
    Peak 1264 from c13no.peaks (3.19, 4.13, 55.78 ppm; 4.43 A):
    2 out of 2 assignments used, quality = 1.00:
    * QD    ARG   74 + HA    ARG   74  OK   100   100 100 100  2.7-4.3   2653=99, 2.1/1265=96, 2669/5.8=27
      HD3   PRO   75 + HA    ARG   74  OK    89    89 100 100  2.4-2.7   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1265 from c13no.peaks (1.59, 4.13, 55.78 ppm; 3.15 A):
    1 out of 4 assignments used, quality = 0.87:
    * QG    ARG   74 + HA    ARG   74  OK    87   100 100  87  2.3-2.7   3.4=80, 2.1/2653=35
      QB    ALA   43 - HA    ARG   74  far    0    76   0   -  6.9-7.8
      QG    ARG   66 - HA    ARG   74  far    0   100   0   -  9.1-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1267 from c13no.peaks (1.92, 1.92, 29.25 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HB2   ARG   74 + HB2   ARG   74  OK   100   100   - 100
      HB3   GLU  113 + HB3   GLU  113  OK    75    75   - 100
      HB3   GLU   81 + HB3   GLU   81  OK    69    69   - 100
 
    Peak 1268 from c13no.peaks (1.80, 1.80, 29.25 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   ARG   74 + HB3   ARG   74  OK   100   100   - 100
      HB3   GLU   41 + HB3   GLU   41  OK    93    93   - 100
 
    Peak 1269 from c13no.peaks (1.80, 3.19, 44.13 ppm; 3.32 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB3   ARG   74 + QD    ARG   74  OK   100   100 100 100  2.0-3.3   3.2=100
      QE    MET   83 - QD    ARG   74  far    0    73   0   -  5.2-6.2
      HB3   GLU   41 - QD    ARG   74  far    0   100   0   -  8.1-11.7
      HG    LEU   84 - QD    ARG   74  far    0    81   0   -  8.3-10.3
      HG    LEU   87 - QD    ARG   74  far    0    97   0   -  8.5-10.6
      HG2   ARG   78 - QD    ARG   74  far    0    60   0   -  9.3-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1270 from c13no.peaks (1.92, 3.19, 44.13 ppm; 3.32 A increased from 3.12 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   ARG   74 + QD    ARG   74  OK   100   100 100 100  2.0-3.2   3.2=100
      HB3   GLU  125 - QD    ARG  374  far    0    93   0   -  7.5-34.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1273 from c13no.peaks (3.15, 4.32, 55.46 ppm; 4.10 A):
    1 out of 2 assignments used, quality = 0.99:
    * HD3   ARG  108 + HA    ARG  108  OK    99   100 100  99  2.0-3.1   3636=91, 1.8/3635=83, 3640/3634=48
      HD3   ARG  108 - HA    GLN  107  far    0    61   0   -  5.8-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1274 from c13no.peaks (3.27, 4.32, 55.46 ppm; 4.53 A):
    1 out of 7 assignments used, quality = 1.00:
    * HD2   ARG  108 + HA    ARG  108  OK   100   100 100 100  2.0-3.8   3635=100, 1.8/1273=88
      HD2   ARG  108 - HA    GLN  107  far    0    61   0   -  5.1-6.9
      QD    ARG  103 - HA    GLN  107  far    0    33   0   -  6.2-7.4
      HB2   PHE   50 - HA    ALA   61  far    0    67   0   -  6.6-7.3
      QD    ARG   46 - HA    GLN  407  far    0    48   0   -  6.9-34.6
      QD    ARG  103 - HA    ARG  108  far    0    65   0   -  8.6-9.6
      HB2   PHE   47 - HA    ALA   61  far    0    75   0   -  9.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1275 from c13no.peaks (1.71, 4.32, 55.46 ppm; 3.90 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   ARG  108 + HA    ARG  108  OK   100   100 100 100  2.4-3.0   3.0=100
      HB3   ARG  108 - HA    GLN  107  far    0    61   0   -  4.1-6.0
      QB    GLN   91 - HA    ALA   61  far    0    46   0   -  7.8-8.9
      HG    LEU   89 - HA    ARG  108  far    0    78   0   -  8.1-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1276 from c13no.peaks (1.76, 4.32, 55.46 ppm; 3.71 A):
    1 out of 10 assignments used, quality = 1.00:
    * HB2   ARG  108 + HA    ARG  108  OK   100   100 100 100  2.4-3.0   3.0=100
      HB2   ARG  108 - HA    GLN  107  far    0    61   0   -  4.1-5.9
      HG3   PRO  109 - HA    ARG  108  far    0    92   0   -  4.1-4.6
      HB2   LEU   62 - HA    ALA   61  far    0    69   0   -  5.6-5.7
      HG3   ARG  103 - HA    GLN  107  far    0    44   0   -  7.0-10.2
      HB3   GLU   53 - HA    ALA   61  far    0    42   0   -  7.0-7.9
      HG3   PRO  109 - HA    GLN  107  far    0    51   0   -  7.4-8.4
      HB2   LEU   45 - HA    GLN  407  far    0    58   0   -  7.6-52.8
      HG3   ARG  103 - HA    ARG  108  far    0    83   0   -  8.6-11.5
      QB    ARG   48 - HA    GLN  407  far    0    45   0   -  8.8-41.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1277 from c13no.peaks (1.53, 4.32, 55.46 ppm; 3.55 A):
    1 out of 6 assignments used, quality = 1.00:
    * QG    ARG  108 + HA    ARG  108  OK   100   100 100 100  2.2-3.0   3.4=100
      QG    ARG  108 - HA    GLN  107  far    0    61   0   -  3.9-6.1
      QB    ALA   63 - HA    ALA   61  far    0    53   0   -  4.7-5.1
      HB3   LEU   68 - HA    ALA   61  far    0    66   0   -  7.6-9.6
      QB    ALA  117 - HA    GLN  107  far    0    59   0   -  8.8-9.7
      QB    ALA  117 - HA    ARG  108  far    0    99   0   -  9.3-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1285 from c13no.peaks (1.76, 1.53, 26.01 ppm; 3.27 A):
    1 out of 3 assignments used, quality = 1.00:
    * HB2   ARG  108 + QG    ARG  108  OK   100   100 100 100  2.1-2.4   2.5=100
      HG3   PRO  109 - QG    ARG  108  far    0    92   0   -  4.8-6.9
      HG3   ARG  103 - QG    ARG  108  far    0    83   0   -  8.3-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1286 from c13no.peaks (1.71, 1.53, 26.01 ppm; 3.24 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB3   ARG  108 + QG    ARG  108  OK   100   100 100 100  2.2-2.4   2.5=100
      HG    LEU   89 - QG    ARG  108  far    0    78   0   -  7.3-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1287 from c13no.peaks (3.04, 3.04, 43.48 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HD3   ARG   66 + HD3   ARG   66  OK   100   100   - 100
      HD2   ARG   78 + HD2   ARG   78  OK    43    43   - 100
 
    Peak 1288 from c13no.peaks (3.09, 3.09, 43.48 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HD2   ARG   66 + HD2   ARG   66  OK   100   100   - 100
      HD2   ARG   78 + HD2   ARG   78  OK    39    39   - 100
 
    Peak 1289 from c13no.peaks (3.80, 3.04, 43.48 ppm; 5.19 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    ARG   66 + HD3   ARG   66  OK   100   100 100 100  3.7-5.0   4.6=100
      HA    LEU   62 - HD3   ARG   66  far   13    85  15   -  5.0-7.9
      HA    LYS   80 - HD3   ARG   66  far    0    97   0   -  6.6-9.8
      HA    LYS   80 - HD2   ARG   78  far    0    66   0   -  6.9-7.6
      HA    GLU  113 - HD3   ARG   66  far    0   100   0   -  7.4-11.3
      HD3   PRO  112 - HD3   ARG   66  far    0    99   0   -  8.9-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1290 from c13no.peaks (3.80, 3.09, 43.48 ppm; 5.50 A increased from 5.27 A):
    1 out of 6 assignments used, quality = 1.00:
    * HA    ARG   66 + HD2   ARG   66  OK   100   100 100 100  3.8-5.5   4.6=100
      HA    LEU   62 - HD2   ARG   66  far    6    85   8   -  5.1-7.8
      HA    LYS   80 - HD2   ARG   66  far    0    97   0   -  6.2-10.3
      HA    LYS   80 - HD2   ARG   78  far    0    63   0   -  6.9-7.6
      HA    GLU  113 - HD2   ARG   66  far    0   100   0   -  7.6-11.4
      HD3   PRO  112 - HD2   ARG   66  far    0    99   0   -  9.9-12.8
    Violated in 8 structures by 0.01 A.
 
    Peak 1292 from c13no.peaks (3.04, 3.80, 60.81 ppm; 5.03 A):
    1 out of 5 assignments used, quality = 1.00:
    * HD3   ARG   66 + HA    ARG   66  OK   100   100 100 100  3.7-5.0   4.6=100
      HB3   PHE   92 - HA    GLU  113  far    0    50   0   -  6.6-7.6
      HD3   ARG   66 - HA    GLU  113  far    0    58   0   -  7.4-11.3
      HB3   PHE   92 - HA    ARG   66  far    0    95   0   -  7.6-8.5
      HB3   PHE   47 - HA    ARG   66  far    0   100   0   -  8.0-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1294 from c13no.peaks (1.59, 1.59, 30.54 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    ARG   66 + QG    ARG   66  OK   100   100   - 100
 
    Peak 1300 from c13no.peaks (2.32, 2.32, 35.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLU   41 + HG2   GLU   41  OK   100   100   - 100
 
    Peak 1306 from c13no.peaks (2.19, 2.19, 35.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLU   41 + HG3   GLU   41  OK   100   100   - 100
 
    Peak 1308 from c13no.peaks (2.19, 4.47, 58.24 ppm; 4.29 A):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLU   41 + HA    GLU   41  OK   100   100 100 100  2.9-4.2   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1311 from c13no.peaks (2.26, 2.26, 37.01 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG    GLU   54 + QG    GLU   54  OK   100   100   - 100
      HG3   GLU  114 + HG3   GLU  114  OK    98    98   - 100
 
    Peak 1316 from c13no.peaks (2.45, 3.96, 60.16 ppm; 3.59 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG3   GLN   59 + HA    GLN   59  OK   100   100 100 100  2.2-3.4   2203=100, 1.8/2204=66, 2219/2.9=54, 2205/2197=36...(14)
      HG2   GLU  113 - HA    GLN   59  far    0    90   0   -  5.7-6.9
      QG    GLN  107 - HA    ARG  346  far    0    53   0   -  6.6-38.3
      HG3   GLN   71 - HA    ARG   46  far    0    58   0   -  8.8-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1317 from c13no.peaks (2.50, 2.50, 34.10 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLN   59 + HG2   GLN   59  OK   100   100   - 100
 
    Peak 1318 from c13no.peaks (2.45, 2.45, 34.10 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLN   59 + HG3   GLN   59  OK   100   100   - 100
 
    Peak 1322 from c13no.peaks (2.00, 2.00, 29.34 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   GLU   60 + HB3   GLU   60  OK   100   100   - 100
      HB2   GLU   81 + HB2   GLU   81  OK    94    94   - 100
 
    Peak 1323 from c13no.peaks (2.00, 4.22, 59.32 ppm; 3.01 A):
    2 out of 4 assignments used, quality = 1.00:
    * HB3   GLU   60 + HA    GLU   60  OK   100   100 100 100  2.3-3.0   3.0=100
      QB    ARG   70 + HA    GLU   67  OK    43    57 100  76  2.1-3.1   3.3/2593=27, 989/196=24, 2.5/2596=19, 276/2481=17...(7)
      QG    PRO   75 - HA    GLU   67  far    0    74   0   -  6.2-7.7
      HB2   GLU   81 - HA    GLU   67  far    0    87   0   -  9.2-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1324 from c13no.peaks (2.35, 4.22, 59.32 ppm; 3.94 A increased from 3.32 A):
    2 out of 4 assignments used, quality = 1.00:
    * HG3   GLU   60 + HA    GLU   60  OK   100   100 100 100  3.5-3.9   2226=89, 1.8/2227=88, 2239/3.0=48, ~138=46...(15)
      HG2   GLU   67 + HA    GLU   67  OK    70    70 100 100  3.6-3.8   4.0=97, 1.8/191=68, 950/3.0=52, ~951=35...(11)
      HB2   LEU   87 - HA    GLU   67  far    0    54   0   -  9.2-10.2
      HG2   GLU   67 - HA    GLU   60  far    0    83   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1328 from c13no.peaks (2.41, 2.41, 36.69 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLU   60 + HG2   GLU   60  OK   100   100   - 100
 
    Peak 1329 from c13no.peaks (2.35, 2.35, 36.69 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   GLU   60 + HG3   GLU   60  OK   100   100   - 100
      QG    GLU   99 + QG    GLU   99  OK    77    77   - 100
 
    Peak 1332 from c13no.peaks (2.73, 2.73, 34.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLN   64 + HG2   GLN   64  OK   100   100   - 100
 
    Peak 1333 from c13no.peaks (2.48, 2.48, 34.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLN   64 + HG3   GLN   64  OK   100   100   - 100
 
    Peak 1336 from c13no.peaks (4.12, 2.48, 34.43 ppm; 3.81 A increased from 3.39 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    GLN   64 + HG3   GLN   64  OK   100   100 100 100  3.8-3.8   3.9=95, 159/1.8=81, 3.0/2334=76, 1340/3.0=74...(14)
      HA    ALA   63 - HG3   GLN   64  far    0    85   0   -  5.7-5.9
      HA    TYR   52 - HG3   GLN   64  far    0    85   0   -  6.6-7.3
      HA    PHE   50 - HG3   GLN   64  far    0    81   0   -  7.9-8.4
      HD2   PRO   58 - HG3   GLN   64  far    0    60   0   - 10.0-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1337 from c13no.peaks (4.12, 2.73, 34.43 ppm; 3.62 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLN   64 + HG2   GLN   64  OK   100   100 100 100  2.7-2.8   159=100, 1340/3.0=69, 1336/1.8=68, 2.9/907=59...(17)
      HA    ALA   63 - HG2   GLN   64  far    0    85   0   -  5.0-5.1
      HA    TYR   52 - HG2   GLN   64  far    0    85   0   -  8.3-9.1
      HA    PHE   50 - HG2   GLN   64  far    0    81   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1338 from c13no.peaks (2.28, 2.28, 29.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HB2   GLN   64 + HB2   GLN   64  OK   100   100   - 100
 
    Peak 1339 from c13no.peaks (2.48, 4.12, 59.24 ppm; 3.98 A increased from 3.35 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG3   GLN   64 + HA    GLN   64  OK   100   100 100 100  3.8-3.8   3.9=100
      HG3   GLN   64 - HA    TYR   52  far    0    71   0   -  6.6-7.3
      HB3   CYS   69 - HA    GLN   64  far    0    68   0   -  8.0-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1340 from c13no.peaks (2.14, 4.12, 59.24 ppm; 2.85 A):
    1 out of 9 assignments used, quality = 0.99:
    * HB3   GLN   64 + HA    GLN   64  OK    99   100 100  99  2.3-2.3   3.0=86, 2347/2.9=34, 3.0/159=34, 3.0/1336=31...(15)
      QB    GLU   67 - HA    GLN   64  far    2    85   3   -  2.8-3.6
      QG    GLU   53 - HA    TYR   52  far    0    63   0   -  3.2-3.3
      HB2   LEU   68 - HA    GLN   64  far    0    78   0   -  4.2-7.1
      HB2   GLU   60 - HA    TYR   52  far    0    59   0   -  6.8-8.5
      QB    GLN   71 - HA    GLN   64  far    0   100   0   -  7.9-9.1
      HB2   GLU   60 - HA    GLN   64  far    0    92   0   -  8.1-8.5
      HB3   GLN   64 - HA    TYR   52  far    0    71   0   -  8.4-9.0
      QG    GLU   53 - HA    GLN   64  far    0    96   0   -  8.7-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1344 from c13no.peaks (2.28, 2.73, 34.43 ppm; 3.18 A):
    1 out of 2 assignments used, quality = 1.00:
    * HB2   GLN   64 + HG2   GLN   64  OK   100   100 100 100  2.9-2.9   3.0=100
      HG3   GLU   67 - HG2   GLN   64  far    0    60   0   -  6.6-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1345 from c13no.peaks (2.14, 2.73, 34.43 ppm; 3.08 A):
    1 out of 5 assignments used, quality = 1.00:
    * HB3   GLN   64 + HG2   GLN   64  OK   100   100 100 100  2.7-2.8   3.0=100
      QB    GLU   67 - HG2   GLN   64  far    0    85   0   -  5.1-5.7
      HB2   GLU   60 - HG2   GLN   64  far    0    92   0   -  5.4-5.9
      HB2   LEU   68 - HG2   GLN   64  far    0    78   0   -  6.4-9.4
      QG    GLU   53 - HG2   GLN   64  far    0    96   0   -  7.0-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1346 from c13no.peaks (2.14, 2.14, 29.07 ppm; diagonal):
    4 out of 4 assignments used, quality = 1.00:
    * HB3   GLN   64 + HB3   GLN   64  OK   100   100   - 100
      QB    GLN   71 + QB    GLN   71  OK    91    91   - 100
      QB    GLU   67 + QB    GLU   67  OK    51    51   - 100
      HB2   GLU   60 + HB2   GLU   60  OK    47    47   - 100
 
    Peak 1348 from c13no.peaks (2.45, 3.98, 59.02 ppm; 3.14 A):
    2 out of 3 assignments used, quality = 0.81:
    * HG3   GLN   71 + HA    GLN   71  OK    61   100  65  94  2.3-3.8   3.9=51, 1.8/1355=51, 2628/3.0=37, ~271=25...(7)
      QG    GLN   82 + HA    GLN   82  OK    50    59  95  89  2.3-3.2   3.3=83, 1056/2.9=32, ~1354=4
      HG2   GLU  113 - HA    GLN   82  far    0    48   0   -  8.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1350 from c13no.peaks (2.71, 2.71, 34.75 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLN   71 + HG2   GLN   71  OK   100   100   - 100
 
    Peak 1351 from c13no.peaks (2.45, 2.45, 34.75 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   GLN   71 + HG3   GLN   71  OK   100   100   - 100
      QG    GLN   82 + QG    GLN   82  OK   100   100   - 100
 
    Peak 1354 from c13no.peaks (3.98, 2.45, 34.75 ppm; 3.25 A):
    3 out of 7 assignments used, quality = 0.89:
      HA    GLN   82 + QG    GLN   82  OK    63    67  98  96  2.3-3.2   3.3=92, 2.9/1056=35, ~305=8, ~1348=5
    * HA    GLN   71 + HG3   GLN   71  OK    62   100  65  96  2.3-3.8   3.9=57, 1355/1.8=55, 3.0/2628=40, ~271=27...(7)
      HB3   SER   79 + QG    GLN   82  OK    23    86  73  37  2.0-4.1   326/2934=31, 346/7.1=9
      HD2   PRO   75 - HG3   GLN   71  far    0    81   0   -  6.7-8.5
      HD2   PRO   75 - QG    GLN   82  far    0    80   0   -  8.1-10.9
      HB3   SER  111 - QG    GLN   82  far    0    91   0   -  8.8-11.9
      HA    ARG   46 - HG3   GLN   71  far    0   100   0   -  8.8-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1355 from c13no.peaks (3.98, 2.71, 34.75 ppm; 3.80 A increased from 3.58 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    GLN   71 + HG2   GLN   71  OK   100   100 100 100  2.6-3.9   221=99, 3.0/271=65, 1348/1.8=50, ~272=36...(8)
      HD2   PRO   75 - HG2   GLN   71  far    0    81   0   -  6.7-8.1
      HA    ARG   46 - HG2   GLN   71  far    0   100   0   -  9.5-12.3
    Violated in 1 structures by 0.00 A.
 
    Peak 1358 from c13no.peaks (2.37, 2.37, 35.40 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLU   67 + HG2   GLU   67  OK   100   100   - 100
 
    Peak 1359 from c13no.peaks (2.25, 2.25, 35.40 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLU   67 + HG3   GLU   67  OK   100   100   - 100
 
    Peak 1360 from c13no.peaks (2.25, 2.37, 35.40 ppm; 2.44 A):
    1 out of 2 assignments used, quality = 1.00:
    * HG3   GLU   67 + HG2   GLU   67  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   GLN   64 - HG2   GLU   67  far    0    60   0   -  4.9-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1361 from c13no.peaks (2.12, 2.37, 35.40 ppm; 2.79 A):
    1 out of 3 assignments used, quality = 1.00:
    * QB    GLU   67 + HG2   GLU   67  OK   100   100 100 100  2.3-2.4   2.5=100
      HB3   GLN   64 - HG2   GLU   67  far    0    85   0   -  4.1-4.6
      QB    GLN   71 - HG2   GLU   67  far    0    85   0   -  5.2-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1363 from c13no.peaks (4.21, 2.37, 35.40 ppm; 3.99 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    GLU   67 + HG2   GLU   67  OK   100   100 100 100  3.6-3.8   4.0=100
      HA    GLU   60 - HG2   GLU   67  far    0    97   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1364 from c13no.peaks (4.21, 2.25, 35.40 ppm; 4.04 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   67 + HG3   GLU   67  OK   100   100 100 100  3.3-3.6   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1366 from c13no.peaks (2.12, 2.12, 29.25 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * QB    GLU   67 + QB    GLU   67  OK   100   100   - 100
      HB2   GLU   60 + HB2   GLU   60  OK    97    97   - 100
      HB3   GLN   64 + HB3   GLN   64  OK    51    51   - 100
 
    Peak 1369 from c13no.peaks (4.21, 2.12, 29.25 ppm; 2.96 A):
    2 out of 7 assignments used, quality = 1.00:
    * HA    GLU   67 + QB    GLU   67  OK   100   100 100 100  2.1-2.2   2.5=100
      HA    GLU   60 + HB2   GLU   60  OK    92    93 100  99  2.5-3.0   3.0=99
      HA3   GLY   57 - HB2   GLU   60  far    0    97   0   -  3.6-4.1
      HA    GLU   60 - HB3   GLN   64  far    0    62   0   -  6.8-7.1
      HA    GLU   67 - HB3   GLN   64  far    0    68   0   -  7.4-7.8
      HA    GLU   53 - HB2   GLU   60  far    0    76   0   -  7.9-9.4
      HA    GLU   60 - QB    GLU   67  far    0    97   0   -  8.1-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1371 from c13no.peaks (2.39, 2.39, 36.37 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLU   76 + HG2   GLU   76  OK   100   100   - 100
 
    Peak 1375 from c13no.peaks (2.22, 3.83, 61.06 ppm; 3.86 A increased from 3.43 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG3   GLU   81 + HA    GLU   81  OK   100   100 100 100  2.6-3.7   2907=95, 1.8/294=72, 1051/3.0=52, 2914/3.6=43...(15)
      HB2   MET   83 - HA    GLU   81  far    0   100   0   -  5.8-6.9
      HG3   GLU  113 - HA    GLU   81  far    0   100   0   -  7.4-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1376 from c13no.peaks (2.42, 2.42, 37.34 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG2   GLU   81 + HG2   GLU   81  OK   100   100   - 100
      HG2   GLU   85 + HG2   GLU   85  OK    36    36   - 100
 
    Peak 1377 from c13no.peaks (2.22, 2.22, 37.34 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLU   81 + HG3   GLU   81  OK   100   100   - 100
 
    Peak 1384 from c13no.peaks (2.44, 2.44, 34.75 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG    GLN   82 + QG    GLN   82  OK   100   100   - 100
      HG3   GLN   71 + HG3   GLN   71  OK   100   100   - 100
 
    Peak 1386 from c13no.peaks (3.12, 3.95, 58.89 ppm; 4.13 A):
    1 out of 2 assignments used, quality = 0.47:
      HB2   PHE   92 + HA    LEU   89  OK    47    56 100  84  2.9-3.4   4.0/2935=37, 2.4/3192=33, 473/3.0=28, 1158/6.4=21...(6)
      HA    CYS   69 - HA    GLN   71  far    0    56   0   -  6.3-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1387 from c13no.peaks (2.39, 2.39, 37.34 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG2   GLU   85 + HG2   GLU   85  OK   100   100   - 100
      HG2   GLU   81 + HG2   GLU   81  OK    36    36   - 100
 
    Peak 1388 from c13no.peaks (2.26, 2.26, 37.34 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLU   85 + HG3   GLU   85  OK   100   100   - 100
 
    Peak 1389 from c13no.peaks (4.07, 2.26, 37.34 ppm; 3.88 A increased from 3.65 A):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU   85 + HG3   GLU   85  OK   100   100 100 100  3.4-3.7   3.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1390 from c13no.peaks (4.07, 2.39, 37.34 ppm; 3.99 A increased from 3.55 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    GLU   85 + HG2   GLU   85  OK   100   100 100 100  3.8-3.9   3.7=100
      HA    GLU   85 - HG2   GLU   81  far    0    65   0   -  6.8-8.8
      HA    ALA   63 - HG2   GLU   81  far    0    34   0   -  7.0-12.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1399 from c13no.peaks (2.14, 2.14, 37.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    GLU   90 + QG    GLU   90  OK   100   100   - 100
 
    Peak 1402 from c13no.peaks (1.84, 1.84, 34.10 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLN   91 + HG2   GLN   91  OK   100   100   - 100
 
    Peak 1403 from c13no.peaks (1.28, 1.28, 34.10 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLN   91 + HG3   GLN   91  OK   100   100   - 100
 
    Peak 1404 from c13no.peaks (3.21, 1.84, 34.10 ppm; 5.50 A):
    0 out of 1 assignment used, quality = 0.00:
      HD2   ARG   44 + HG2   GLN   91  far    0    65   0   -  9.2-11.6
    Violated in 20 structures by 4.80 A.
 
    Peak 1405 from c13no.peaks (3.97, 1.84, 34.10 ppm; 4.93 A):
    2 out of 4 assignments used, quality = 1.00:
    * HA    GLN   91 + HG2   GLN   91  OK   100   100 100 100  3.2-3.8   4.0=100
      HA    PHE   92 + HG2   GLN   91  OK    31    76  45  90  3.4-5.6   3230/3213=47, 3229/3214=41, 6.8=37, 380/2.5=31...(6)
      HA    ARG   46 - HG2   GLN   91  far    0    97   0   -  8.1-9.1
      HA    PRO  112 - HG2   GLN   91  far    0    97   0   -  8.3-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1406 from c13no.peaks (2.96, 1.28, 34.10 ppm; 5.50 A):
    0 out of 1 assignment used, quality = 0.00:
      HB2   HIS   51 + HG3   GLN   91  far    0   100   0   -  8.0-9.4
    Violated in 20 structures by 3.59 A.
 
    Peak 1407 from c13no.peaks (3.97, 1.28, 34.10 ppm; 4.93 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLN   91 + HG3   GLN   91  OK   100   100 100 100  2.6-3.7   4.0=100
      HA    PHE   92 - HG3   GLN   91  far   11    76  15   -  3.2-6.1
      HA    PRO  112 - HG3   GLN   91  far    0    97   0   -  7.7-10.4
      HA    ARG   46 - HG3   GLN   91  far    0    97   0   -  7.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1408 from c13no.peaks (2.89, 3.97, 57.62 ppm; 5.50 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   CYS   49 + HA    GLN   91  far    0    99   0   -  8.9-9.8
      HB3   HIS   51 + HA    GLN   91  far    0    90   0   -  9.0-9.6
    Violated in 20 structures by 3.02 A.
 
    Peak 1409 from c13no.peaks (2.34, 2.34, 36.69 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG    GLU   99 + QG    GLU   99  OK   100   100   - 100
      HG3   GLU   60 + HG3   GLU   60  OK    77    77   - 100
 
    Peak 1411 from c13no.peaks (4.15, 2.34, 36.69 ppm; 3.55 A increased from 3.34 A):
    1 out of 3 assignments used, quality = 1.00:
    * HA    GLU   99 + QG    GLU   99  OK   100   100 100 100  2.6-3.3   3.4=100
      HA    PRO   98 - QG    GLU   99  far    0    97   0   -  4.9-6.6
      HA    ALA  102 - QG    GLU   99  far    0    85   0   -  7.1-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1414 from c13no.peaks (2.83, 3.56, 60.67 ppm; 5.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1417 from c13no.peaks (2.40, 2.40, 34.43 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG    GLN  105 + QG    GLN  105  OK   100   100   - 100
      HG2   GLN  101 + HG2   GLN  101  OK    39    39   - 100
 
    Peak 1418 from c13no.peaks (3.97, 2.40, 34.43 ppm; 3.38 A):
    1 out of 7 assignments used, quality = 1.00:
    * HA    GLN  105 + QG    GLN  105  OK   100   100 100 100  2.6-3.0   3.3=100
      QA    GLY  106 - QG    GLN  105  far    0    78   0   -  4.9-5.4
      HA    GLN  105 - HG2   GLN  101  far    0    68   0   -  7.0-7.7
      HA    PHE   92 - HG2   GLN  101  far    0    51   0   -  7.6-8.2
      HA    GLN   91 - HG2   GLN  101  far    0    67   0   -  8.9-9.3
      HA    PRO  112 - HG2   GLN  101  far    0    66   0   -  9.6-10.5
      QA    GLY  106 - HG2   GLN  101  far    0    46   0   -  9.7-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1422 from c13no.peaks (2.44, 2.44, 34.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QG    GLN  107 + QG    GLN  107  OK   100   100   - 100
 
    Peak 1424 from c13no.peaks (4.33, 2.44, 34.43 ppm; 3.48 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLN  107 + QG    GLN  107  OK   100   100 100 100  2.2-3.4   3.4=100
      HA    ARG  108 - QG    GLN  107  far    0    96   0   -  3.6-6.2
      HA    LEU  122 - QG    GLN  107  far    0    89   0   -  7.3-9.3
      HB2   SER  111 - QG    GLN  107  far    0    87   0   -  9.0-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1427 from c13no.peaks (2.46, 2.46, 37.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLU  113 + HG2   GLU  113  OK   100   100   - 100
 
    Peak 1428 from c13no.peaks (2.22, 2.22, 37.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLU  113 + HG3   GLU  113  OK   100   100   - 100
 
    Peak 1429 from c13no.peaks (3.80, 2.46, 37.66 ppm; 3.69 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLU  113 + HG2   GLU  113  OK   100   100 100 100  2.4-2.8   3.6=100
      HD3   PRO  112 - HG2   GLU  113  far    0    99   0   -  5.6-6.6
      HA    LEU   62 - HG2   GLU  113  far    0    89   0   -  5.9-6.6
      HA    ARG   66 - HG2   GLU  113  far    0   100   0   -  7.7-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1431 from c13no.peaks (3.80, 2.22, 37.66 ppm; 3.37 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    GLU  113 + HG3   GLU  113  OK   100   100 100 100  2.2-3.1   491=98, 3.0/3850=59, 2.9/1267=41, ~1266=28...(14)
      HA    LEU   62 - HG3   GLU  113  far    0    89   0   -  6.1-7.8
      HD3   PRO  112 - HG3   GLU  113  far    0    99   0   -  7.2-7.8
      HA    ARG   66 - HG3   GLU  113  far    0   100   0   -  8.9-10.2
      HD3   PRO   58 - HG3   GLU  113  far    0    89   0   -  9.5-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1435 from c13no.peaks (1.92, 1.92, 29.02 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HB3   GLU  113 + HB3   GLU  113  OK   100   100   - 100
      HB2   ARG   74 + HB2   ARG   74  OK    75    75   - 100
      HB3   GLU   81 + HB3   GLU   81  OK    32    32   - 100
 
    Peak 1437 from c13no.peaks (3.80, 1.92, 29.02 ppm; 3.25 A):
    1 out of 10 assignments used, quality = 1.00:
    * HA    GLU  113 + HB3   GLU  113  OK   100   100 100 100  2.5-2.8   3.0=100
      HA    LYS   80 - HB3   GLU   81  far    0    45   0   -  5.6-6.6
      HD3   PRO  112 - HB3   GLU  113  far    0    99   0   -  7.1-7.4
      HA    ARG   66 - HB3   GLU   81  far    0    47   0   -  7.5-9.8
      HD3   PRO  112 - HB3   GLU   81  far    0    45   0   -  7.7-10.0
      HA    LEU   62 - HB3   GLU  113  far    0    89   0   -  8.2-8.9
      HA    LYS   80 - HB2   ARG   74  far    0    72   0   -  8.2-8.7
      HA    GLU  113 - HB3   GLU   81  far    0    47   0   -  8.8-11.4
      HD2   PRO  126 - HB2   ARG  374  far    0    48   0   -  9.6-52.2
      HA3   GLY  110 - HB3   GLU  113  far    0    81   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1441 from c13no.peaks (2.39, 2.39, 37.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG2   GLU  114 + HG2   GLU  114  OK   100   100   - 100
 
    Peak 1442 from c13no.peaks (2.27, 2.27, 37.01 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   GLU  114 + HG3   GLU  114  OK   100   100   - 100
      QG    GLU   54 + QG    GLU   54  OK    98    98   - 100
 
    Peak 1444 from c13no.peaks (4.09, 2.39, 37.01 ppm; 3.88 A increased from 3.44 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    GLU  114 + HG2   GLU  114  OK   100   100 100 100  3.7-3.9   504=100, 502/1.8=90, 3.0/3869=65, 3.6/3870=39...(8)
      HA    GLU   85 - HG2   GLU  114  far    0    93   0   -  9.2-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1446 from c13no.peaks (4.09, 2.27, 37.01 ppm; 3.48 A):
    1 out of 5 assignments used, quality = 1.00:
    * HA    GLU  114 + HG3   GLU  114  OK   100   100 100 100  2.5-3.0   502=100, 504/1.8=65, 3.0/3864=48, 3.6/3865=32...(9)
      HD2   PRO   58 - QG    GLU   54  far    0    99   0   -  4.4-5.0
      HA    TYR   52 - QG    GLU   54  far    0    92   0   -  5.8-6.5
      HA    LEU   96 - QG    GLU   54  far    0    79   0   -  5.9-6.6
      HA    GLU   85 - HG3   GLU  114  far    0    93   0   -  8.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1449 from c13no.peaks (2.06, 2.06, 29.90 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   GLU  125 + HB2   GLU  125  OK   100   100   - 100
      HB2   GLN  101 + HB2   GLN  101  OK    84    84   - 100
 
    Peak 1450 from c13no.peaks (4.59, 4.59, 55.13 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HA    GLU  125 + HA    GLU  125  OK   100   100   - 100
 
    Peak 1451 from c13no.peaks (2.30, 4.59, 55.13 ppm; 4.31 A):
    1 out of 4 assignments used, quality = 1.00:
    * QG    GLU  125 + HA    GLU  125  OK   100   100 100 100  2.1-3.3   3.4=100
      HB2   PRO  126 - HA    GLU  125  far    0    99   0   -  5.5-5.6
      HG2   GLU   41 - HA    GLU  425  far    0    96   0   -  7.0-46.3
      HG2   PRO   97 - HA    GLU  125  far    0    83   0   -  9.1-16.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1452 from c13no.peaks (1.94, 4.59, 55.13 ppm; 4.06 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   GLU  125 + HA    GLU  125  OK   100   100 100 100  2.3-3.0   3.0=100
      HG    LEU  122 - HA    GLU  125  far    0   100   0   -  6.0-10.2
      HB3   ARG  103 - HA    GLU  125  far    0    85   0   -  7.4-14.6
      HB2   ARG   74 - HA    GLU  425  far    0    93   0   -  9.4-51.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1453 from c13no.peaks (2.06, 4.59, 55.13 ppm; 5.10 A):
    2 out of 4 assignments used, quality = 1.00:
    * HB2   GLU  125 + HA    GLU  125  OK   100   100 100 100  2.4-3.0   3.0=100
      QG    PRO  126 + HA    GLU  125  OK    98    98 100 100  3.9-4.1   2.2/4082=100, 2.2/4083=100, 5.2=93
      HB2   GLU   41 - HA    GLU  425  far    2    99   3   -  4.7-48.5
      QB    GLU   99 - HA    GLU  125  far    0    95   0   -  5.3-14.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1454 from c13no.peaks (1.94, 1.94, 29.90 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   GLU  125 + HB3   GLU  125  OK   100   100   - 100
      HB3   GLN  101 + HB3   GLN  101  OK    61    61   - 100
 
    Peak 1457 from c13no.peaks (4.59, 2.06, 29.90 ppm; 3.74 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    GLU  125 + HB2   GLU  125  OK   100   100 100 100  2.4-3.0   3.0=100
      HA    ASP  120 - HB2   GLU  125  far    0    68   0   -  5.2-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1459 from c13no.peaks (3.28, 4.59, 55.13 ppm; 4.97 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1460 from c13no.peaks (2.30, 2.30, 36.37 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * QG    GLU  125 + QG    GLU  125  OK   100   100   - 100
      HG3   GLU   76 + HG3   GLU   76  OK    62    62   - 100
 
    Peak 1462 from c13no.peaks (4.59, 2.30, 36.37 ppm; 4.26 A):
    1 out of 2 assignments used, quality = 1.00:
    * HA    GLU  125 + QG    GLU  125  OK   100   100 100 100  2.1-3.3   3.4=100
      HA    ASP  120 - QG    GLU  125  far    0    68   0   -  6.1-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1467 from c13no.peaks (1.97, 1.97, 30.22 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB2   GLU   53 + HB2   GLU   53  OK   100   100   - 100
      QB    ARG   70 + QB    ARG   70  OK    86    86   - 100
 
    Peak 1468 from c13no.peaks (1.79, 1.79, 30.22 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   GLU   53 + HB3   GLU   53  OK   100   100   - 100
      HG2   ARG   78 + HG2   ARG   78  OK    54    54   - 100
 
    Peak 1471 from c13no.peaks (4.23, 1.79, 30.22 ppm; 3.54 A):
    1 out of 4 assignments used, quality = 1.00:
    * HA    GLU   53 + HB3   GLU   53  OK   100   100 100 100  2.7-2.8   3.0=100
      HA    THR   56 - HB3   GLU   53  far    0    83   0   -  4.9-5.5
      HA3   GLY   57 - HB3   GLU   53  far    0    71   0   -  7.0-7.4
      HA    GLU   60 - HB3   GLU   53  far    0    97   0   -  9.2-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1472 from c13no.peaks (4.23, 1.97, 30.22 ppm; 3.23 A):
    2 out of 4 assignments used, quality = 1.00:
    * HA    GLU   53 + HB2   GLU   53  OK   100   100 100 100  2.2-2.3   3.0=100
      HA    GLU   67 + QB    ARG   70  OK    48    64 100  75  2.1-3.1   2593/3.3=26, 2481/2098=20, 2596/2.5=19, 196/3.3=18...(7)
      HA    THR   56 - HB2   GLU   53  far    0    83   0   -  6.6-7.3
      HA3   GLY   57 - HB2   GLU   53  far    0    71   0   -  8.6-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1473 from c13no.peaks (1.79, 4.23, 55.13 ppm; 3.66 A):
    1 out of 4 assignments used, quality = 1.00:
    * HB3   GLU   53 + HA    GLU   53  OK   100   100 100 100  2.7-2.8   3.0=100
      QB    ARG   48 - HA    ALA  417  far    0    96   0   -  8.1-44.5
      HB    ILE  100 - HA    GLU   53  far    0    73   0   -  8.3-9.7
      HB3   ARG  124 - HA    ALA  117  far    0    96   0   -  8.4-13.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1475 from c13no.peaks (3.93, 4.93, 52.55 ppm; 2.59 A):
    1 out of 1 assignment used, quality = 0.98:
      QD    PRO   38 + HA    ASP   37  OK    98   100 100  98  1.9-2.2   1521=95, 1497/3.0=24, 2.0/1522=22, 1530/3.0=21...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1476 from c13no.peaks (3.92, 2.64, 41.87 ppm; 4.00 A):
    1 out of 1 assignment used, quality = 0.98:
      QD    PRO   38 + HB3   ASP   37  OK    98    98 100 100  1.9-3.6   1530=83, 1521/3.0=81, 1497/1.8=74, ~1498=44...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1477 from c13no.peaks (4.93, 2.64, 41.87 ppm; 3.35 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ASP   37 + HB3   ASP   37  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1478 from c13no.peaks (2.63, 2.79, 41.87 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 0.98:
      HB3   ASP   37 + HB2   ASP   37  OK    98    98 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1479 from c13no.peaks (2.79, 2.64, 41.87 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 0.99:
      HB2   ASP   37 + HB3   ASP   37  OK    99    99 100 100  1.8-1.8   1.8=100
      HB3   TRP   72 - HB3   ASP   37  far    0    76   0   -  9.5-12.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1482 from c13no.peaks (4.93, 2.79, 41.87 ppm; 3.49 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ASP   37 + HB2   ASP   37  OK   100   100 100 100  2.7-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1483 from c13no.peaks (2.07, 2.64, 41.87 ppm; 5.40 A increased from 4.80 A):
    1 out of 4 assignments used, quality = 0.65:
      QG    PRO   38 + HB3   ASP   37  OK    65    65 100 100  3.8-5.2   2.0/1476=99, 1498/1.8=97, ~1497=83, ~1475=81...(9)
      HB3   PRO   38 - HB3   ASP   37  far    0    99   0   -  5.7-6.9
      HB2   GLU   41 - HB3   ASP   37  far    0    81   0   -  7.3-11.8
      HB2   GLU  125 - HB3   ASP  337  far    0    93   0   -  7.5-41.1
    Violated in 1 structures by 0.00 A.
 
    Peak 1484 from c13no.peaks (2.30, 2.64, 41.87 ppm; 4.47 A):
    0 out of 2 assignments used, quality = 0.00:
      HG2   GLU   41 + HB3   ASP   37  far    0    95   0   -  5.6-11.0
      QG    GLU  125 + HB3   ASP  337  far    0   100   0   -  8.2-25.7
    Violated in 20 structures by 4.37 A.
 
    Peak 1485 from c13no.peaks (4.23, 2.72, 41.55 ppm; 3.80 A increased from 3.58 A):
    1 out of 2 assignments used, quality = 0.96:
      HA    ALA  117 + HB3   ASP  120  OK    96    97 100  98  2.9-3.8   1492/1.8=78, 3899=53, 2.1/1487=40, 625/1494=34...(7)
      HA3   GLY   57 - HB3   ASP  120  far    0    76   0   -  6.9-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1486 from c13no.peaks (2.25, 2.72, 41.55 ppm; 3.92 A):
    1 out of 4 assignments used, quality = 0.79:
      HG2   PRO   58 + HB3   ASP  120  OK    79    96  95  86  3.6-3.9   1489/1.8=74, 805/1494=28, 1317/1493=18, 1755/1488=13
      HB    VAL  119 - HB3   ASP  120  far    0    81   0   -  5.3-6.5
      QG    GLU   54 - HB3   ASP  120  far    0    92   0   -  7.6-8.6
      HG3   GLU  113 - HB3   ASP  120  far    0    71   0   -  9.8-11.5
    Violated in 1 structures by 0.00 A.
 
    Peak 1487 from c13no.peaks (1.52, 2.72, 41.55 ppm; 5.13 A increased from 4.32 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    ALA  117 + HB3   ASP  120  OK   100   100 100 100  4.3-5.0   2.1/1485=97, ~1492=79, 1490/1.8=79, ~3900=77...(8)
      HB2   ARG   44 - HB3   ASP  420  far    0    90   0   -  9.8-55.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1488 from c13no.peaks (0.97, 2.72, 41.55 ppm; 5.25 A increased from 4.67 A):
    1 out of 2 assignments used, quality = 0.96:
      QG2   VAL  119 + HB3   ASP  120  OK    96    96 100 100  3.9-5.0   1491/1.8=90, 806/1494=84, 1761/3.0=83, 6.6=50...(10)
      QD2   LEU   87 - HB3   ASP  420  far    0    60   0   -  9.6-35.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1489 from c13no.peaks (2.25, 2.80, 41.55 ppm; 3.94 A):
    1 out of 4 assignments used, quality = 0.88:
      HG2   PRO   58 + HB2   ASP  120  OK    88    99 100  89  1.9-2.4   1486/1.8=75, 805/1496=30, 1317/1495=20, 1755/1491=18
      HB    VAL  119 - HB2   ASP  120  far   16    90  18   -  4.0-5.3
      QG    GLU   54 - HB2   ASP  120  far    0    97   0   -  6.7-7.7
      HG3   GLU  113 - HB2   ASP  120  far    0    57   0   -  9.1-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1490 from c13no.peaks (1.52, 2.80, 41.55 ppm; 5.23 A increased from 4.40 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    ALA  117 + HB2   ASP  120  OK   100   100 100 100  4.5-5.1   2.1/1492=99, 1487/1.8=83, ~1485=79, ~3899=77...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1491 from c13no.peaks (0.97, 2.80, 41.55 ppm; 4.81 A):
    1 out of 1 assignment used, quality = 0.96:
      QG2   VAL  119 + HB2   ASP  120  OK    96    96 100 100  2.8-3.9   1761/3.0=75, 3981/1496=73, 1488/1.8=69, 3957=58...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1492 from c13no.peaks (4.23, 2.80, 41.55 ppm; 3.66 A):
    1 out of 3 assignments used, quality = 0.96:
      HA    ALA  117 + HB2   ASP  120  OK    96    97 100  99  3.0-3.6   3900=87, 1485/1.8=69, 2.1/1490=34, 625/1496=29...(7)
      HA3   GLY   57 - HB2   ASP  120  far    0    76   0   -  5.9-6.5
      HA    GLU   60 - HB2   ASP  120  far    0    99   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1493 from c13no.peaks (7.97, 2.72, 41.55 ppm; 3.82 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLY  121 + HB3   ASP  120  OK    99   100 100  99  2.6-3.0   1495/1.8=74, 597/1494=63, 4.6=56, 592/1323=29...(12)
      H     GLY  128 - HB3   ASP  120  far    0    60   0   -  7.7-18.9
      H     ALA  115 - HB3   ASP  120  far    0    78   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1494 from c13no.peaks (8.40, 2.72, 41.55 ppm; 3.22 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ASP  120 + HB3   ASP  120  OK    97    99 100  98  2.7-3.0   804/1.8=73, 4.1=50, 597/1493=38, 625/1485=21...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1495 from c13no.peaks (7.97, 2.80, 41.55 ppm; 3.83 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLY  121 + HB2   ASP  120  OK    99   100 100  99  3.4-3.8   1493/1.8=75, 597/1496=60, 4.6=57, 1320/1490=26...(12)
      H     GLY  128 - HB2   ASP  120  far    0    60   0   -  8.6-19.6
      H     ALA  115 - HB2   ASP  120  far    0    78   0   -  8.8-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1496 from c13no.peaks (8.40, 2.80, 41.55 ppm; 3.34 A):
    1 out of 1 assignment used, quality = 0.94:
      H     ASP  120 + HB2   ASP  120  OK    94    96 100  99  2.2-2.4   1494/1.8=73, 804=65, 597/1495=39, 625/3900=30...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1497 from c13no.peaks (3.93, 2.79, 41.87 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PRO   38 + HB2   ASP   37  OK   100   100 100 100  2.1-3.0   1529=81, 1475/3.0=80, 1530/1.8=68, 2.0/1498=58...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1498 from c13no.peaks (2.07, 2.79, 41.87 ppm; 4.43 A):
    1 out of 4 assignments used, quality = 0.62:
      QG    PRO   38 + HB2   ASP   37  OK    62    65  95 100  3.6-4.5   2.0/1497=87, ~1476=61, ~1530=59, ~1475=57...(10)
      HB3   PRO   38 - HB2   ASP   37  far    0    99   0   -  5.2-5.9
      HB2   GLU   41 - HB2   ASP   37  far    0    81   0   -  7.4-10.2
      HB2   GLU  125 - HB2   ASP  337  far    0    93   0   -  8.1-42.5
    Violated in 2 structures by 0.00 A.
 
    Peak 1499 from c13no.peaks (4.74, 4.21, 46.72 ppm; 4.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1500 from c13no.peaks (4.74, 4.06, 46.72 ppm; 4.64 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1501 from c13no.peaks (3.70, 4.06, 46.72 ppm; 3.73 A increased from 3.51 A):
    1 out of 1 assignment used, quality = 1.00:
      HD3   PRO   40 + HA3   GLY   39  OK   100   100 100 100  3.3-3.7   3.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1502 from c13no.peaks (2.28, 4.06, 46.72 ppm; 5.50 A increased from 4.77 A):
    1 out of 3 assignments used, quality = 0.79:
      HG2   PRO   40 + HA3   GLY   39  OK    79    96  83 100  4.6-5.6   2.3/1556=99, 5.6=94, 1508/1.8=90, ~1557=86...(14)
      HB2   PRO   38 - HA3   GLY   39  far    2    96   3   -  5.5-5.9
      QG    GLU  125 - HA3   GLY  339  far    0    71   0   -  6.9-29.6
    Violated in 5 structures by 0.03 A.
 
    Peak 1503 from c13no.peaks (2.08, 4.06, 46.72 ppm; 4.92 A increased from 4.63 A):
    1 out of 3 assignments used, quality = 0.99:
      HB3   PRO   38 + HA3   GLY   39  OK    99   100 100  99  4.0-4.7   5.2=83, ~2529=50, ~640=44, ~1534=40...(7)
      HB2   GLU   41 - HA3   GLY   39  far    2    68   3   -  4.4-7.2
      HB2   GLU  125 - HA3   GLY  339  far    0    85   0   -  7.6-46.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1504 from c13no.peaks (1.44, 4.06, 46.72 ppm; 4.38 A):
    1 out of 1 assignment used, quality = 0.97:
      QB    ALA   42 + HA3   GLY   39  OK    97   100 100  97  3.1-4.3   1510/1.8=65, 646/2.9=57, 1517/5.2=36, 1526/5.9=33...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1505 from c13no.peaks (3.87, 4.21, 46.72 ppm; 3.53 A):
    1 out of 1 assignment used, quality = 0.81:
      HD2   PRO   40 + HA2   GLY   39  OK    81    81 100 100  2.3-2.6   3.7=86, 1.8/1506=71, 1556/1.8=56, 2.3/1509=39...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1506 from c13no.peaks (3.70, 4.21, 46.72 ppm; 3.56 A):
    1 out of 1 assignment used, quality = 0.99:
      HD3   PRO   40 + HA2   GLY   39  OK    99    99 100 100  1.9-2.3   1554=98, 1.8/1557=74, ~1556=46, 2.3/1509=40...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1507 from c13no.peaks (2.75, 4.21, 46.72 ppm; 5.01 A):
    1 out of 3 assignments used, quality = 0.98:
      QB    PRO   40 + HA2   GLY   39  OK    98    98 100 100  4.5-4.6   2.9/1505=91, 2.9/1506=91, 2.2/1509=81, 2.2/1508=79...(11)
      HB3   TRP   72 - HA2   GLY   39  far    0    87   0   -  6.9-7.9
      HA    ARG   44 - HA2   GLY   39  far    0    96   0   -  9.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1508 from c13no.peaks (2.27, 4.21, 46.72 ppm; 4.84 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   PRO   40 + HA2   GLY   39  OK   100   100 100 100  4.1-4.6   2.3/1505=95, 2.3/1506=95, 1.8/1509=82, 2.2/1507=71...(12)
      HB2   PRO   38 - HA2   GLY   39  far    0   100   0   -  5.8-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1509 from c13no.peaks (2.08, 4.21, 46.72 ppm; 4.74 A increased from 4.46 A):
    1 out of 4 assignments used, quality = 0.60:
      HG3   PRO   40 + HA2   GLY   39  OK    60    60 100 100  4.3-4.5   2.3/1505=94, 2.3/1506=94, 1.8/1508=77, 2.2/1507=68...(12)
      HB3   PRO   38 - HA2   GLY   39  far    5   100   5   -  4.4-5.7
      HB2   GLU   41 - HA2   GLY   39  far    0    57   0   -  5.4-6.6
      HB2   GLU  125 - HA2   GLY  339  far    0    76   0   -  6.1-45.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1510 from c13no.peaks (1.44, 4.21, 46.72 ppm; 4.88 A increased from 4.60 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    ALA   42 + HA2   GLY   39  OK   100   100 100 100  4.3-4.8   1504/1.8=90, 646/2.9=69, 1517/5.2=45, 1526/5.9=42...(10)
    Violated in 2 structures by 0.00 A.
 
    Peak 1511 from c13no.peaks (2.75, 4.06, 46.72 ppm; 5.47 A increased from 5.15 A):
    1 out of 3 assignments used, quality = 0.98:
      QB    PRO   40 + HA3   GLY   39  OK    98    98 100 100  5.0-5.3   5.5=97, 2.9/1556=96, 1507/1.8=91, 2.2/1502=77...(14)
      HB3   TRP   72 - HA3   GLY   39  far    0    87   0   -  6.9-8.0
      HA    ARG   44 - HA3   GLY   39  far    0    96   0   -  9.6-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1512 from c13no.peaks (8.60, 4.21, 46.72 ppm; 3.96 A):
    1 out of 1 assignment used, quality = 0.78:
      H     GLY   39 + HA2   GLY   39  OK    78    78 100 100  2.3-2.8   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1513 from c13no.peaks (8.60, 4.06, 46.72 ppm; 3.97 A):
    1 out of 1 assignment used, quality = 0.78:
      H     GLY   39 + HA3   GLY   39  OK    78    78 100 100  2.3-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1514 from c13no.peaks (8.57, 4.06, 46.72 ppm; 4.26 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLY   39 + HA3   GLY   39  OK    99    99 100 100  2.3-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1517 from c13no.peaks (1.45, 2.27, 32.81 ppm; 4.45 A):
    1 out of 1 assignment used, quality = 0.93:
      QB    ALA   42 + HB2   PRO   38  OK    93    99  98  96  2.6-3.8   1526/2.2=79, 646/3.9=49, 1504/5.2=38, 1510/5.2=34
    Violated in 1 structures by 0.01 A.
 
    Peak 1518 from c13no.peaks (0.96, 2.27, 32.81 ppm; 4.57 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   68 + HB2   PRO   38  far    0    97   0   -  7.5-10.2
    Violated in 20 structures by 4.57 A.
 
    Peak 1519 from c13no.peaks (3.94, 2.08, 32.81 ppm; 3.61 A increased from 3.21 A):
    2 out of 7 assignments used, quality = 0.98:
      QD    PRO   38 + HB3   PRO   38  OK    97    97 100 100  3.5-3.5   2.9=100
      HA    LEU   89 + HB2   PRO  112  OK    33    87  40  95  3.5-4.0   3177/2266=28, ~1129=26, ~3787=24, ~3811=23...(13)
      HA    GLN   59 - HB2   PRO  112  far    0    70   0   -  6.5-7.6
      HA    ALA  116 - HB2   PRO  112  far    0    78   0   -  6.9-7.3
      HA    ALA  115 - HB2   PRO  112  far    0    87   0   -  7.8-8.1
      HA    LEU   65 - HB2   PRO  112  far    0    66   0   -  8.1-8.8
      HA    GLN   82 - HB2   PRO  112  far    0    75   0   -  9.0-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1520 from c13no.peaks (4.52, 3.93, 51.25 ppm; 3.99 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   38 + QD    PRO   38  OK   100   100 100 100  3.4-3.4   3.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1521 from c13no.peaks (4.93, 3.93, 51.25 ppm; 2.63 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ASP   37 + QD    PRO   38  OK   100   100 100 100  1.9-2.2   1475=100, 3.0/1497=25, 1522/2.0=24, 3.0/1476=23...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1522 from c13no.peaks (4.93, 2.04, 26.98 ppm; 4.25 A increased from 3.78 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    ASP   37 + QG    PRO   38  OK   100   100 100 100  3.8-4.1   1521/2.0=100, 5.2=54, ~1497=42, ~1476=41...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1523 from c13no.peaks (4.52, 2.04, 26.98 ppm; 3.58 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    PRO   38 + QG    PRO   38  OK   100   100 100 100  3.5-3.5   3.5=100
      HA    CYS   49 - HG    LEU   68  far    0    98   0   -  8.1-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1524 from c13no.peaks (3.93, 2.04, 26.98 ppm; 2.71 A):
    1 out of 3 assignments used, quality = 1.00:
      QD    PRO   38 + QG    PRO   38  OK   100   100 100 100  2.0-2.0   2.0=100
      HA    LEU   65 - HG    LEU   68  far    0    90   0   -  3.7-4.9
      QD    PRO   38 - HG    LEU   68  far    0    99   0   -  9.5-14.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1525 from c13no.peaks (2.26, 2.04, 26.98 ppm; 2.58 A):
    1 out of 5 assignments used, quality = 1.00:
      HB2   PRO   38 + QG    PRO   38  OK   100   100 100 100  2.2-2.2   2.2=100
      HG3   GLU   67 - HG    LEU   68  far    0    97   0   -  2.9-6.5
      HB2   GLN   64 - HG    LEU   68  far    0    79   0   -  4.5-6.7
      HG2   PRO   40 - QG    PRO   38  far    0   100   0   -  7.2-8.8
      HG3   GLU   67 - QG    PRO   38  far    0    99   0   -  8.3-14.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1526 from c13no.peaks (1.44, 2.04, 26.98 ppm; 4.11 A increased from 3.87 A):
    1 out of 3 assignments used, quality = 0.87:
      QB    ALA   42 + QG    PRO   38  OK    87   100 100  87  2.7-4.1   1517/2.2=62, 646/4.8=35, 1504/5.9=27, 1510/5.9=25
      QB    ALA   42 - HG    LEU   68  far    0    99   0   -  7.3-9.6
    Violated in 3 structures by 0.00 A.
 
    Peak 1527 from c13no.peaks (1.52, 2.04, 26.98 ppm; 3.84 A):
    1 out of 7 assignments used, quality = 0.96:
      HB3   LEU   68 + HG    LEU   68  OK    96    96 100 100  2.2-3.0   3.0=100
      QB    ALA   63 - HG    LEU   68  far    0    71   0   -  7.0-9.7
      HB2   ARG   44 - HG    LEU   68  far    0    74   0   -  7.3-11.1
      HG3   ARG   70 - HG    LEU   68  far    0    99   0   -  7.9-10.8
      HB2   ARG   44 - QG    PRO   38  far    0    76   0   -  8.5-10.8
      HB3   LEU   68 - QG    PRO   38  far    0    97   0   -  9.0-14.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1528 from c13no.peaks (1.61, 2.04, 26.98 ppm; 3.84 A):
    0 out of 10 assignments used, quality = 0.00:
      QB    ALA   43 + QG    PRO   38  poor  20   100  20   -  3.3-7.4
      QB    ALA   43 + HG    LEU   68  far    2    99   3   -  3.8-5.9
      QG    ARG   66 + HG    LEU   68  far    0    79   0   -  6.0-8.2
      QG    ARG   48 + HG    LEU   68  far    0    98   0   -  6.2-11.0
      HG    LEU   45 + HG    LEU   68  far    0    99   0   -  7.0-12.9
      HG    LEU   45 + QG    PRO   38  far    0   100   0   -  7.0-11.6
      QG    ARG   74 + QG    PRO   38  far    0    68   0   -  7.6-10.9
      QB    ALA   95 + HG    LEU   68  far    0    99   0   -  8.4-10.5
      QG    ARG   74 + HG    LEU   68  far    0    66   0   -  9.8-11.2
    Violated in 12 structures by 0.27 A.
 
    Peak 1529 from c13no.peaks (2.79, 3.93, 51.25 ppm; 4.14 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   ASP   37 + QD    PRO   38  OK   100   100 100 100  2.1-3.0   1497=100, 3.0/1475=87, 1.8/1476=78, 1498/2.0=67...(8)
      HB3   TRP   72 - QD    PRO   38  far    0    71   0   -  7.8-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1530 from c13no.peaks (2.62, 3.93, 51.25 ppm; 4.14 A):
    1 out of 1 assignment used, quality = 0.93:
      HB3   ASP   37 + QD    PRO   38  OK    93    93 100 100  1.9-3.6   1476=91, 3.0/1475=87, 1.8/1497=83, ~1498=48...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1531 from c13no.peaks (2.26, 3.93, 51.25 ppm; 3.51 A):
    1 out of 3 assignments used, quality = 1.00:
      HB2   PRO   38 + QD    PRO   38  OK   100   100 100 100  2.9-2.9   2.9=100
      HG2   PRO   40 - QD    PRO   38  far    0   100   0   -  7.7-8.5
      HG3   GLU   67 - QD    PRO   38  far    0    99   0   -  9.0-16.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1532 from c13no.peaks (2.04, 3.93, 51.25 ppm; 2.68 A):
    1 out of 4 assignments used, quality = 1.00:
      QG    PRO   38 + QD    PRO   38  OK   100   100 100 100  2.0-2.0   2.0=100
      HB2   GLU   41 - QD    PRO   38  far    0    99   0   -  6.6-9.9
      HB2   GLU  125 - QD    PRO  338  far    0    95   0   -  8.7-26.8
      HG    LEU   68 - QD    PRO   38  far    0    99   0   -  9.5-14.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1533 from c13no.peaks (8.57, 4.21, 46.72 ppm; 4.27 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLY   39 + HA2   GLY   39  OK    99    99 100 100  2.3-2.8   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1534 from c13no.peaks (8.58, 3.93, 51.25 ppm; 4.73 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLY   39 + QD    PRO   38  OK    99   100 100 100  2.7-4.0   5.0=84, 2529/2.0=67, 643/1476=49, 642/4.4=48...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1535 from c13no.peaks (2.11, 2.74, 32.29 ppm; 3.66 A):
    1 out of 3 assignments used, quality = 1.00:
      HG3   PRO   40 + QB    PRO   40  OK   100   100 100 100  2.2-2.2   2.2=100
      QB    GLN   71 - QB    PRO   40  far    0    60   0   -  4.9-6.3
      QB    PRO   75 - QB    PRO   40  far    0    76   0   -  8.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1536 from c13no.peaks (2.74, 2.27, 27.95 ppm; 3.45 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    PRO   40 + HG2   PRO   40  OK   100   100 100 100  2.2-2.2   2.2=100
      HB3   ASP  120 - HG2   PRO   58  far    0    81   0   -  3.6-3.9
      HB3   TRP   72 - HG2   PRO   40  far    0    73   0   -  5.2-6.2
      HA    ARG   44 - HG2   PRO   40  far    0    99   0   -  7.6-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1538 from c13no.peaks (2.74, 2.11, 27.95 ppm; 3.65 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    PRO   40 + HG3   PRO   40  OK   100   100 100 100  2.2-2.2   2.2=100
      HB3   TRP   72 - HG3   PRO   40  far    0    73   0   -  5.6-6.6
      HA    ARG   44 - HG3   PRO   40  far    0    99   0   -  8.5-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1539 from c13no.peaks (2.27, 2.11, 27.95 ppm; 2.40 A):
    1 out of 4 assignments used, quality = 1.00:
      HG2   PRO   40 + HG3   PRO   40  OK   100   100 100 100  1.8-1.8   1.8=100
      HG2   PRO   97 - HG3   PRO   98  far    0    59   0   -  6.6-7.1
      HG3   GLU   76 - HG3   PRO   40  far    0    95   0   -  8.6-13.0
      HB2   PRO   38 - HG3   PRO   40  far    0   100   0   -  8.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1542 from c13no.peaks (3.71, 2.27, 27.95 ppm; 3.48 A):
    1 out of 2 assignments used, quality = 0.99:
      HD3   PRO   40 + HG2   PRO   40  OK    99    99 100 100  2.3-3.0   2.3=100
      HD3   PRO  126 - HG2   PRO  340  far    0    65   0   -  6.8-48.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1543 from c13no.peaks (3.85, 2.27, 27.95 ppm; 3.17 A):
    1 out of 6 assignments used, quality = 1.00:
      HD2   PRO   40 + HG2   PRO   40  OK   100   100 100 100  2.3-3.0   2.3=100
      HA    GLU   54 - HG2   PRO   58  far    0    83   0   -  5.7-6.7
      HD2   PRO  126 - HG2   PRO  340  far    0    63   0   -  6.5-47.1
      QA    GLY  128 - HG2   PRO  340  far    0    96   0   -  8.8-27.7
      QA    GLY  128 - HG2   PRO   58  far    0    94   0   -  9.5-19.6
      HD2   PRO  126 - HG2   PRO   58  far    0    61   0   -  9.8-15.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1544 from c13no.peaks (3.70, 2.11, 27.95 ppm; 3.22 A):
    1 out of 1 assignment used, quality = 1.00:
      HD3   PRO   40 + HG3   PRO   40  OK   100   100 100 100  2.3-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1545 from c13no.peaks (3.85, 2.11, 27.95 ppm; 2.95 A):
    2 out of 5 assignments used, quality = 1.00:
      HD2   PRO   40 + HG3   PRO   40  OK   100   100 100 100  2.3-2.7   2.3=100
      HD3   PRO   98 + HG3   PRO   98  OK    57    57 100 100  2.3-2.3   2.3=100
      QA    GLY  128 - HG3   PRO   98  far    0    61   0   -  6.9-26.0
      HD2   PRO  126 - HG3   PRO  340  far    0    63   0   -  7.0-47.0
      QA    GLY  128 - HG3   PRO  340  far    0    96   0   -  8.1-27.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1546 from c13no.peaks (4.70, 2.11, 27.95 ppm; 4.23 A increased from 3.76 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    PRO   40 + HG3   PRO   40  OK    99    99 100 100  4.0-4.0   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1547 from c13no.peaks (4.70, 2.27, 27.95 ppm; 4.08 A increased from 3.84 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   40 + HG2   PRO   40  OK   100   100 100 100  3.9-3.9   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1548 from c13no.peaks (3.85, 3.70, 50.93 ppm; 2.67 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   PRO   40 + HD3   PRO   40  OK   100   100 100 100  1.8-1.8   1.8=100
      HD2   PRO  126 - HD3   PRO  340  far    0    63   0   -  8.6-45.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1549 from c13no.peaks (3.70, 3.85, 50.93 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 1.00:
      HD3   PRO   40 + HD2   PRO   40  OK   100   100 100 100  1.8-1.8   1.8=100
      HD3   PRO   40 - HD2   PRO  426  far    0    75   0   -  8.6-45.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1550 from c13no.peaks (2.77, 3.70, 50.93 ppm; 5.46 A increased from 4.60 A):
    1 out of 2 assignments used, quality = 0.65:
      HB2   ASP   37 + HD3   PRO   40  OK    65    76 100  85  5.0-5.4   642/641=60, 7.8/1554=33, 1498/7.4=27, 1497/8.0=23
      HB3   TRP   72 - HD3   PRO   40  far    0    99   0   -  6.1-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1551 from c13no.peaks (2.27, 3.70, 50.93 ppm; 3.44 A):
    1 out of 3 assignments used, quality = 1.00:
      HG2   PRO   40 + HD3   PRO   40  OK   100   100 100 100  2.3-3.0   2.3=100
      HB2   PRO   38 - HD3   PRO   40  far    0   100   0   -  6.3-8.5
      HG3   GLU   76 - HD3   PRO   40  far    0    95   0   - 10.0-14.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1552 from c13no.peaks (2.77, 3.85, 50.93 ppm; 4.23 A):
    0 out of 4 assignments used, quality = 0.00:
      HB2   ASP   37 + HD2   PRO   40  far    0    76   0   -  5.9-6.1
      HB3   TRP   72 + HD2   PRO   40  far    0    99   0   -  6.1-7.2
      QB    TYR   52 + HD3   PRO   98  far    0    87   0   -  7.9-8.4
      HB3   TRP   72 + HD2   PRO  426  far    0    74   0   -  9.9-52.4
    Violated in 20 structures by 1.31 A.
 
    Peak 1553 from c13no.peaks (2.28, 3.85, 50.93 ppm; 3.24 A):
    1 out of 11 assignments used, quality = 0.95:
      HG2   PRO   40 + HD2   PRO   40  OK    95    95 100 100  2.3-3.0   2.3=100
      QG    GLU  125 - HD2   PRO  126  poor  16    48  33   -  1.9-5.0
      QG    GLU  125 - HD2   PRO  340  far    0    73   0   -  4.7-30.7
      HG2   PRO   97 - HD3   PRO   98  far    0    97   0   -  5.3-5.6
      HG2   PRO   40 - HD2   PRO  426  far    0    67   0   -  6.5-47.1
      QG    GLU   54 - HD2   PRO  126  far    0    63   0   -  7.7-13.9
      HB2   PRO   38 - HD2   PRO   40  far    0    95   0   -  7.7-8.7
      QG    GLU   54 - HD3   PRO   98  far    0    85   0   -  8.9-9.7
      HG2   PRO   97 - HD2   PRO  126  far    0    75   0   -  9.5-17.3
      QB    GLN  107 - HD2   PRO  126  far    0    58   0   -  9.6-18.8
      HG2   PRO   58 - HD2   PRO  126  far    0    58   0   -  9.8-15.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1554 from c13no.peaks (4.21, 3.70, 50.93 ppm; 3.58 A):
    1 out of 1 assignment used, quality = 1.00:
      HA2   GLY   39 + HD3   PRO   40  OK   100   100 100 100  1.9-2.3   1506=99, 1557/1.8=74, ~1556=47, 1509/2.3=40...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1555 from c13no.peaks (4.07, 3.70, 50.93 ppm; 3.77 A increased from 3.55 A):
    1 out of 3 assignments used, quality = 1.00:
      HA3   GLY   39 + HD3   PRO   40  OK   100   100 100 100  3.3-3.7   3.7=100
      HA    ALA   42 - HD3   PRO   40  far    0    99   0   -  7.1-8.2
      HA    ALA   43 - HD3   PRO   40  far    0    85   0   -  8.0-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1556 from c13no.peaks (4.07, 3.85, 50.93 ppm; 3.64 A increased from 3.24 A):
    1 out of 5 assignments used, quality = 1.00:
      HA3   GLY   39 + HD2   PRO   40  OK   100   100 100 100  2.6-3.6   3.7=95, 1.8/1557=77, ~1506=49, ~1554=49...(14)
      HA    LEU   96 - HD3   PRO   98  far    0    97   0   -  6.7-6.8
      HA    ALA   42 - HD2   PRO   40  far    0    99   0   -  7.0-8.3
      HA    ALA   43 - HD2   PRO   40  far    0    85   0   -  8.0-9.2
      HD2   PRO   58 - HD2   PRO  126  far    0    46   0   -  9.3-15.4
    Violated in 1 structures by 0.00 A.
 
    Peak 1557 from c13no.peaks (4.22, 3.85, 50.93 ppm; 3.49 A):
    1 out of 3 assignments used, quality = 0.99:
      HA2   GLY   39 + HD2   PRO   40  OK    99    99 100 100  2.3-2.6   3.7=83, 1554/1.8=69, 1.8/1556=68, 1509/2.3=37...(12)
      HA    LEU  118 - HD2   PRO  126  far    0    44   0   -  7.3-16.1
      HA3   GLY   57 - HD2   PRO  126  far    0    71   0   -  9.3-17.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1558 from c13no.peaks (7.98, 3.70, 50.93 ppm; 4.71 A):
    1 out of 3 assignments used, quality = 0.92:
      H     GLU   41 + HD3   PRO   40  OK    92    92 100 100  2.6-3.8   1560/1.8=79, 1562/2.3=74, 1566/2.3=70, 5.6=60...(11)
      H     LEU   73 - HD3   PRO   40  far    0    93   0   -  8.2-9.5
      H     ARG  124 - HD3   PRO  340  far    0    73   0   -  9.6-45.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1559 from c13no.peaks (8.59, 3.70, 50.93 ppm; 4.69 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLY   39 + HD3   PRO   40  OK    99    99 100 100  2.8-4.4   641=98, 2.9/1554=84, ~1557=59, ~1505=59...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 1560 from c13no.peaks (7.98, 3.85, 50.93 ppm; 4.72 A):
    1 out of 5 assignments used, quality = 0.92:
      H     GLU   41 + HD2   PRO   40  OK    92    92 100 100  2.6-3.9   1558/1.8=79, 1562/2.3=74, 1566/2.3=70, 5.6=60...(11)
      H     ARG  124 - HD2   PRO  126  far    8    48  18   -  2.9-7.4
      H     GLY  121 - HD2   PRO  126  far    0    68   0   -  6.5-13.7
      H     GLU   41 - HD2   PRO  426  far    0    64   0   -  8.0-47.4
      H     LEU   73 - HD2   PRO   40  far    0    93   0   -  8.1-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1561 from c13no.peaks (8.59, 3.85, 50.93 ppm; 4.98 A increased from 4.68 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLY   39 + HD2   PRO   40  OK    99    99 100 100  4.1-5.0   4.8=100
    Violated in 2 structures by 0.01 A.
 
    Peak 1562 from c13no.peaks (7.97, 2.11, 27.95 ppm; 4.62 A):
    1 out of 2 assignments used, quality = 0.98:
      H     GLU   41 + HG3   PRO   40  OK    98    98 100 100  3.8-4.0   1566/1.8=81, 5.0=76, 1558/2.3=70, 1560/2.3=69...(10)
      H     LEU   73 - HG3   PRO   40  far    0    83   0   -  7.1-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1563 from c13no.peaks (8.51, 2.11, 27.95 ppm; 4.49 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLY  127 + HG3   PRO  340  far    0    81   0   -  5.2-46.8
      H     GLN  101 + HG3   PRO   98  far    0    58   0   -  7.1-7.2
    Violated in 20 structures by 2.66 A.
 
    Peak 1565 from c13no.peaks (6.86, 2.27, 27.95 ppm; 4.81 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1566 from c13no.peaks (7.97, 2.27, 27.95 ppm; 4.47 A):
    1 out of 6 assignments used, quality = 1.00:
      H     GLU   41 + HG2   PRO   40  OK   100   100 100 100  2.2-2.5   1562/1.8=73, 5.0=69, 1558/2.3=60, 1560/2.3=60...(11)
      H     GLY  121 - HG2   PRO   58  far    0    99   0   -  4.9-5.9
      H     LEU   73 - HG2   PRO   40  far    0    68   0   -  7.3-8.2
      H     GLY  128 - HG2   PRO  340  far    0    68   0   -  8.1-45.6
      H     ALA  115 - HG2   PRO   58  far    0    83   0   -  8.6-8.9
      H     GLY  128 - HG2   PRO   58  far    0    66   0   -  9.9-20.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1567 from c13no.peaks (7.18, 2.74, 32.29 ppm; 4.62 A):
    1 out of 1 assignment used, quality = 0.99:
      HD1   TRP   72 + QB    PRO   40  OK    99    99 100 100  2.0-2.1   51/2.2=80, 221/2.2=79, 222/2.2=68, 2.6/251=64...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1568 from c13no.peaks (7.96, 2.74, 32.29 ppm; 4.73 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLU   41 + QB    PRO   40  OK   100   100 100 100  3.1-3.3   3.7=100
      H     GLY  128 - QB    PRO  340  far    0    83   0   -  6.6-31.6
      H     ARG   70 - QB    PRO   40  far    0   100   0   -  8.0-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1571 from c13no.peaks (1.80, 2.19, 35.07 ppm; 3.84 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   GLU   41 + HG3   GLU   41  OK   100   100 100 100  2.3-2.8   3.0=100
      QB    ARG   48 - HG3   GLU   41  far    0    95   0   -  9.4-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1572 from c13no.peaks (4.47, 2.19, 35.07 ppm; 4.34 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLU   41 + HG3   GLU   41  OK   100   100 100 100  2.9-4.2   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1573 from c13no.peaks (4.47, 2.32, 35.07 ppm; 4.72 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    GLU   41 + HG2   GLU   41  OK   100   100 100 100  2.2-4.2   4.0=100
      HA    PRO  126 - HG2   GLU  341  far    0    60   0   -  8.9-49.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1576 from c13no.peaks (7.55, 4.05, 55.20 ppm; 4.03 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ARG   46 + HA    ALA   43  OK    97   100 100  97  3.1-3.7   664/1584=64, 127/3.6=47, ~1627=31, 668/1582=28...(8)
      H     ARG   46 - HA    ALA   42  far    5    95   5   -  4.0-4.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1577 from c13no.peaks (7.87, 4.05, 55.20 ppm; 3.22 A):
    2 out of 5 assignments used, quality = 1.00:
      H     ALA   42 + HA    ALA   42  OK    96    96 100 100  2.8-2.9   3.0=100
      H     ALA   43 + HA    ALA   43  OK    90    90 100 100  2.8-2.9   2.9=100
      H     ALA   43 - HA    ALA   42  far    0    83   0   -  3.5-3.6
      H     ALA   42 - HA    ALA   43  far    0   100   0   -  5.0-5.4
      HE21  GLN   71 - HA    ALA   43  far    0    97   0   -  5.7-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1578 from c13no.peaks (8.09, 4.05, 55.20 ppm; 4.07 A):
    1 out of 2 assignments used, quality = 0.77:
      H     LEU   45 + HA    ALA   42  OK    77    79 100  98  3.6-4.1   680=83, 688/1581=46, 685/1583=45, 130/5.4=27...(7)
      H     LEU   45 - HA    ALA   43  far   13    87  15   -  4.1-5.0
    Violated in 3 structures by 0.01 A.
 
    Peak 1579 from c13no.peaks (8.45, 4.05, 55.20 ppm; 4.28 A):
    2 out of 2 assignments used, quality = 0.82:
      H     ARG   44 + HA    ALA   43  OK    73    73 100 100  3.5-3.6   3.6=100
      H     ARG   44 + HA    ALA   42  OK    33    66  50  99  4.1-4.7   121/3.6=64, 579/3.0=63, 124/680=51, 716/5.0=44...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1580 from c13no.peaks (3.24, 4.06, 55.20 ppm; 4.26 A):
    2 out of 6 assignments used, quality = 0.94:
      QD    ARG   46 + HA    ALA   43  OK    83    84 100  99  2.0-4.1   2.1/1584=78, ~1627=47, 661/1576=46, 694/2.9=43...(7)
      QD    ARG   46 + HA    ALA   42  OK    66    92  78  92  3.4-4.8   1797/2.1=67, 694/3.6=39, 682/680=33, 712/6.4=18...(6)
      QD    ARG  103 - HA    ALA  342  far    0   100   0   -  6.2-28.6
      HB2   PHE   50 - HA    ALA   43  far    0    75   0   -  8.1-9.2
      HD2   ARG   70 - HA    ALA   43  far    0    90   0   -  8.5-10.6
      HA    LEU   73 - HA    ALA   43  far    0    95   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1581 from c13no.peaks (0.82, 4.05, 55.20 ppm; 3.81 A increased from 3.59 A):
    1 out of 3 assignments used, quality = 0.94:
      QD1   LEU   45 + HA    ALA   42  OK    94    94 100 100  1.9-3.7   1948=98, 3.1/1583=47, 688/680=43, 1951/3.0=21...(8)
      QD1   LEU   45 - HA    ALA   43  far    7    99   8   -  3.6-6.7
    Violated in 1 structures by 0.00 A.
 
    Peak 1582 from c13no.peaks (0.97, 4.05, 55.20 ppm; 4.29 A):
    1 out of 3 assignments used, quality = 0.96:
      QD2   LEU   68 + HA    ALA   43  OK    96   100 100  96  3.0-4.2   2504/2.1=87, 2505/1584=53, 668/1576=34
      QD2   LEU   68 - HA    ALA   42  far    0    95   0   -  6.9-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1583 from c13no.peaks (1.76, 4.05, 55.20 ppm; 4.35 A increased from 3.66 A):
    1 out of 7 assignments used, quality = 0.88:
      HB2   LEU   45 + HA    ALA   42  OK    88    95 100  93  2.7-4.3   3.1/1948=70, 685/680=62, ~1951=17, 3.0/36=11...(6)
      HB2   LEU   45 - HA    ALA   43  far    0   100   0   -  4.9-6.6
      QB    ARG   48 - HA    ALA   43  far    0    78   0   -  7.1-8.3
      QB    ARG   48 - HA    ALA   42  far    0    71   0   -  7.5-8.7
      HG3   ARG  103 - HA    ALA  342  far    0    81   0   -  9.6-43.6
      HG2   ARG   70 - HA    ALA   43  far    0    90   0   -  9.9-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1584 from c13no.peaks (1.93, 4.05, 55.20 ppm; 3.57 A):
    1 out of 5 assignments used, quality = 0.89:
      QB    ARG   46 + HA    ALA   43  OK    89    99 100  91  2.1-3.0   664/1576=45, 1627/2.1=41, 2505/1582=31, 2.1/1580=26...(7)
      QB    ARG   46 - HA    ALA   42  far    0    93   0   -  4.5-5.8
      HB3   GLU  125 - HA    ALA  342  far    0    95   0   -  7.6-48.7
      HB3   ARG  103 - HA    ALA  342  far    0    83   0   -  8.7-44.7
      HG    LEU  122 - HA    ALA  342  far    0    95   0   -  9.2-46.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1585 from c13no.peaks (2.29, 4.05, 55.20 ppm; 5.13 A increased from 4.83 A):
    1 out of 9 assignments used, quality = 0.53:
      HG2   GLU   41 + HA    ALA   42  OK    53    66  95  85  3.6-5.1   ~701=47, 6.7=45, 734/6.4=28, 26/6.1=27
      HB2   PRO   38 - HA    ALA   42  far   10    63  15   -  4.3-6.7
      HB2   PRO   38 - HA    ALA   43  far    0    71   0   -  6.1-8.4
      QG    GLU  125 - HA    ALA  342  far    0    89   0   -  6.9-33.5
      HG2   GLU   41 - HA    ALA   43  far    0    73   0   -  7.1-8.4
      HG2   PRO   40 - HA    ALA   42  far    0    63   0   -  7.3-7.6
      QG    GLU  125 - HA    ALA  343  far    0    96   0   -  8.2-34.8
      HG2   PRO   40 - HA    ALA   43  far    0    71   0   -  8.3-9.0
      QB    GLN  107 - HA    ALA  342  far    0    93   0   -  8.3-33.2
    Violated in 2 structures by 0.03 A.
 
    Peak 1586 from c13no.peaks (0.87, 4.13, 55.31 ppm; 4.53 A increased from 4.27 A):
    1 out of 5 assignments used, quality = 1.00:
      QQG   VAL  104 + HA    ALA  102  OK   100   100 100 100  4.1-4.3   1219/513=70, 1211/2.9=67, 4.6/1587=58, 3583/3.6=56...(16)
      QG2   ILE  100 - HA    ALA  102  far    0    65   0   -  6.4-6.6
      QD1   LEU  122 - HA    ALA  102  far    0   100   0   -  6.9-7.5
      QD2   LEU  122 - HA    ALA  102  far    0   100   0   -  7.4-8.2
      QD1   ILE  100 - HA    ALA  102  far    0    99   0   -  7.9-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1587 from c13no.peaks (2.09, 4.13, 55.31 ppm; 3.46 A):
    1 out of 3 assignments used, quality = 0.94:
      QB    GLN  105 + HA    ALA  102  OK    94    99 100  95  2.6-2.8   2.1/1588=51, 1216/513=47, 3.8/496=29, 4.6/1586=26...(9)
      HG3   PRO   97 - HA    ALA  102  far    0    97   0   -  8.4-10.3
      HG3   PRO   98 - HA    ALA  102  far    0    95   0   -  9.3-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1588 from c13no.peaks (2.38, 4.13, 55.31 ppm; 4.13 A):
    1 out of 3 assignments used, quality = 0.76:
      QG    GLN  105 + HA    ALA  102  OK    76    76 100 100  2.3-3.8   2.1/1587=86, 4095=71, 2.3/496=56, 1215/513=48...(10)
      HG2   GLN  101 - HA    ALA  102  far    0   100   0   -  6.2-6.4
      HB2   PRO   98 - HA    ALA  102  far    0    78   0   -  6.9-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1589 from c13no.peaks (3.18, 4.13, 55.31 ppm; 4.97 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1590 from c13no.peaks (3.64, 4.13, 55.31 ppm; 4.00 A):
    0 out of 1 assignment used, quality = 0.00:
      HD2   PRO  109 + HA    ALA  102  far    0    73   0   -  9.1-9.8
    Violated in 20 structures by 5.53 A.
 
    Peak 1591 from c13no.peaks (7.26, 4.13, 55.31 ppm; 4.87 A):
    1 out of 1 assignment used, quality = 0.99:
      HE21  GLN  105 + HA    ALA  102  OK    99    99 100 100  3.6-4.0   496=99, 2.3/1588=87, 3.8/1587=77, 1.7/497=64...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1592 from c13no.peaks (7.37, 4.13, 55.31 ppm; 4.20 A):
    1 out of 2 assignments used, quality = 0.93:
      H     ARG  103 + HA    ALA  102  OK    93    93 100 100  3.5-3.5   3.6=100
      H     ILE  100 - HA    ALA  102  far    0    98   0   -  6.7-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1593 from c13no.peaks (8.08, 4.13, 55.31 ppm; 3.68 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA  102 + HA    ALA  102  OK   100   100 100 100  2.8-2.9   2.9=100
      H     GLY  106 - HA    ALA  102  far    0    92   0   -  4.9-5.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1594 from c13no.peaks (8.58, 4.13, 55.31 ppm; 4.30 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN  105 + HA    ALA  102  OK   100   100 100 100  3.5-3.8   513=98, 1216/1587=77, 495/3.6=58, 1218/2.1=56...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1595 from c13no.peaks (0.28, 1.89, 19.36 ppm; 4.50 A):
    1 out of 2 assignments used, quality = 0.97:
      QD2   LEU   62 + QB    ALA   61  OK    97   100  98 100  3.3-4.4   2.1/2274=91, 888/882=71, 2361/1598=61, 166/1666=59...(12)
      QD1   LEU   73 - QB    ALA   61  far    0   100   0   -  9.9-10.8
    Violated in 1 structures by 0.03 A.
 
    Peak 1596 from c13no.peaks (0.50, 1.89, 19.36 ppm; 5.04 A increased from 4.48 A):
    1 out of 1 assignment used, quality = 0.85:
      QD1   LEU   62 + QB    ALA   61  OK    85    87  98 100  2.6-4.9   2.1/1595=87, 2274=87, 889/882=80, 4.0/1603=67...(13)
    Violated in 1 structures by 0.02 A.
 
    Peak 1597 from c13no.peaks (0.59, 1.89, 19.36 ppm; 4.63 A):
    1 out of 1 assignment used, quality = 0.96:
      QD2   LEU   65 + QB    ALA   61  OK    96    96 100 100  3.8-4.4   2.1/1598=91, 2.1/1599=72, 272/266=62, 281/277=61...(8)
    Violated in 1 structures by 0.00 A.
 
    Peak 1598 from c13no.peaks (0.75, 1.89, 19.36 ppm; 3.82 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   65 + QB    ALA   61  OK    99   100 100  99  1.9-2.8   2.1/1597=51, 271/266=49, 2.1/1599=48, 284/277=44...(12)
      QD2   LEU   89 - QB    ALA   61  far    0    93   0   -  7.0-8.0
      QD1   LEU   87 - QB    ALA   61  far    0    96   0   -  9.2-10.2
      QD1   LEU   84 - QB    ALA   61  far    0    96   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1599 from c13no.peaks (1.00, 1.89, 19.36 ppm; 4.75 A increased from 4.22 A):
    1 out of 3 assignments used, quality = 0.83:
      HG    LEU   65 + QB    ALA   61  OK    83    83 100 100  3.4-4.6   2.1/1598=92, 2.1/1597=77, 283/277=48, 270/266=47...(8)
      QG2   VAL  119 - QB    ALA   61  far    0    93   0   -  5.1-5.7
      QD2   LEU   68 - QB    ALA   61  far    0    60   0   -  7.8-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1600 from c13no.peaks (1.30, 1.89, 19.36 ppm; 3.54 A):
    1 out of 3 assignments used, quality = 0.89:
      QG2   THR   56 + QB    ALA   61  OK    89    93  98  98  2.8-3.5   1768=68, 894/2.9=50, 248/244=31, 1776/1671=26...(12)
      HB3   LEU   62 - QB    ALA   61  far    0    89   0   -  4.2-5.4
      HG3   GLN   91 - QB    ALA   61  far    0    87   0   -  5.1-8.3
    Violated in 1 structures by 0.01 A.
 
    Peak 1601 from c13no.peaks (1.42, 1.89, 19.36 ppm; 3.41 A):
    0 out of 2 assignments used, quality = 0.00:
      QB    ALA  115 + QB    ALA   61  far    0    87   0   -  6.3-6.9
      QB    ALA   55 + QB    ALA   61  far    0    97   0   -  6.5-7.4
    Violated in 20 structures by 2.64 A.
 
    Peak 1602 from c13no.peaks (2.76, 1.89, 19.36 ppm; 4.85 A):
    1 out of 1 assignment used, quality = 0.68:
      QB    TYR   52 + QB    ALA   61  OK    68    68 100 100  3.1-3.9   2.1/1665=98, 262/266=71, 3.9/1664=67, 4.0/1672=62...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1603 from c13no.peaks (3.80, 1.89, 19.36 ppm; 4.32 A):
    1 out of 8 assignments used, quality = 0.81:
      HA    LEU   62 + QB    ALA   61  OK    81    81 100 100  3.6-3.8   3.0/882=84, 4.6=83, 4.0/2274=59, 2368/1598=51...(12)
      HA    GLU   54 - QB    ALA   61  far    0    60   0   -  5.5-6.2
      HD3   PRO   58 - QB    ALA   61  far    0    95   0   -  5.6-6.0
      HD2   PRO   97 - QB    ALA   61  far    0    90   0   -  6.8-8.0
      HA    GLU  113 - QB    ALA   61  far    0   100   0   -  7.1-7.5
      HA    ARG   66 - QB    ALA   61  far    0   100   0   -  8.0-8.8
      HD3   PRO  112 - QB    ALA   61  far    0   100   0   -  9.3-9.9
      HA2   GLY   94 - QB    ALA   61  far    0    93   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1604 from c13no.peaks (3.97, 1.89, 19.36 ppm; 4.69 A increased from 4.42 A):
    1 out of 5 assignments used, quality = 0.70:
      HA    PHE   92 + QB    ALA   61  OK    70    71 100  98  3.9-4.5   3230/1598=52, 84/266=51, 3.7/144=47, 5.6/1666=45...(8)
      HA    GLN   59 - QB    ALA   61  far    0    96   0   -  4.8-5.1
      HA    PRO  112 - QB    ALA   61  far    0    96   0   -  7.0-7.6
      HA    GLN   91 - QB    ALA   61  far    0   100   0   -  7.5-8.2
      QA    GLY  127 - QB    ALA   61  far    0   100   0   -  9.9-19.5
    Violated in 1 structures by 0.00 A.
 
    Peak 1605 from c13no.peaks (4.61, 1.89, 19.36 ppm; 3.39 A):
    1 out of 1 assignment used, quality = 0.92:
      HA    PRO   58 + QB    ALA   61  OK    92   100 100  92  2.4-2.8   42/244=43, 872/2.9=36, 46/1664=30, 875/882=30...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1606 from c13no.peaks (2.33, 1.89, 19.36 ppm; 5.11 A increased from 4.09 A):
    1 out of 4 assignments used, quality = 0.59:
      HG3   GLU   60 + QB    ALA   61  OK    59    63  95 100  4.4-5.0   4.8/1671=55, 6.4=51, ~891=51, 2229/1600=50...(11)
      HB    VAL   88 - QB    ALA   61  far    0   100   0   -  5.7-8.4
      HB2   LEU   87 - QB    ALA   61  far    0   100   0   -  9.6-10.4
      QG    GLU   99 - QB    ALA   61  far    0    96   0   -  9.6-11.9
    Violated in 2 structures by 0.03 A.
 
    Peak 1607 from c13no.peaks (2.14, 1.89, 19.36 ppm; 4.03 A increased from 3.58 A):
    2 out of 8 assignments used, quality = 0.98:
      QG    GLU   53 + QB    ALA   61  OK    89    96 100  93  3.1-4.0   2078/1600=51, 2088/244=42, 4.5/1672=39, 2090/266=26...(6)
      HB2   GLU   60 + QB    ALA   61  OK    82    92  90  99  4.0-5.0   891/2.9=62, 2236/1600=50, 2250/1671=44, 3.0/1606=42...(13)
      HB3   GLN   64 - QB    ALA   61  far    0   100   0   -  5.4-5.9
      HB2   LEU   68 - QB    ALA   61  far    0    78   0   -  7.3-9.6
      QB    GLU   67 - QB    ALA   61  far    0    85   0   -  7.9-8.3
      QB    GLU   85 - QB    ALA   61  far    0    87   0   -  9.2-10.4
      QB    GLU  114 - QB    ALA   61  far    0    65   0   -  9.6-10.1
      QG    GLU   90 - QB    ALA   61  far    0   100   0   -  9.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1608 from c13no.peaks (2.22, 1.89, 19.36 ppm; 4.05 A):
    0 out of 2 assignments used, quality = 0.00:
      HG3   PRO   58 + QB    ALA   61  far    0    65   0   -  5.6-6.3
      HG3   GLU  113 + QB    ALA   61  far    0   100   0   -  7.9-9.1
    Violated in 20 structures by 1.66 A.
 
    Peak 1609 from c13no.peaks (0.54, 0.90, 19.22 ppm; 2.93 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   96 + QG2   ILE  100  OK    99   100 100  99  1.8-2.1   2.1/3465=54, 3317=44, 3463/2.1=28, 3951/1610=24...(24)
    Violated in 0 structures by 0.00 A.
 
    Peak 1610 from c13no.peaks (1.12, 0.90, 19.22 ppm; 3.07 A):
    1 out of 1 assignment used, quality = 0.45:
      QG1   VAL  119 + QG2   ILE  100  OK    45    63 100  72  1.8-1.9   3951/1609=28, 3949/3465=26, 3.2/3946=19, 3953/3.2=16...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1611 from c13no.peaks (1.57, 0.90, 19.22 ppm; 3.20 A):
    1 out of 3 assignments used, quality = 0.99:
      HG12  ILE  100 + QG2   ILE  100  OK    99    99 100 100  2.6-2.7   3.2=100
      HB2   LEU   96 - QG2   ILE  100  far    0    65   0   -  3.8-4.3
      HB3   LEU  122 - QG2   ILE  100  far    0   100   0   -  5.0-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1612 from c13no.peaks (2.03, 0.90, 19.22 ppm; 3.51 A):
    0 out of 6 assignments used, quality = 0.00:
      HG3   GLN  101 + QG2   ILE  100  far    0    78   0   -  4.3-5.3
      HB2   GLN  101 + QG2   ILE  100  far    0    68   0   -  4.8-5.0
      QB    GLU   54 + QG2   ILE  100  far    0    95   0   -  5.3-6.9
      QB    GLU   99 + QG2   ILE  100  far    0    92   0   -  5.3-5.6
      HB3   PRO   97 + QG2   ILE  100  far    0   100   0   -  5.9-6.2
      HB2   GLU  125 + QG2   ILE  100  far    0    63   0   -  8.5-12.4
    Violated in 20 structures by 0.52 A.
 
    Peak 1613 from c13no.peaks (2.33, 0.90, 19.22 ppm; 4.78 A increased from 4.03 A):
    1 out of 4 assignments used, quality = 0.96:
      QG    GLU   99 + QG2   ILE  100  OK    96    96 100 100  4.3-4.6   3477/3.2=70, 3475/3.2=68, 3457/2.1=65, 4.3/1674=62...(15)
      QB    GLN  107 - QG2   ILE  100  far    0    65   0   -  6.3-7.9
      QG    GLU  125 - QG2   ILE  100  far    0    78   0   -  6.8-11.4
      HB2   PRO  126 - QG2   ILE  100  far    0    93   0   -  9.6-15.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1614 from c13no.peaks (3.24, 0.90, 19.22 ppm; 3.92 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   PRO   97 + QG2   ILE  100  OK   100   100 100 100  3.0-3.3   3378/2.1=63, 3327/3465=54, 2728/3.0=53, 3374=52...(25)
      QD    ARG  103 - QG2   ILE  100  far    0   100   0   -  5.3-5.6
      QD    ARG  124 - QG2   ILE  100  far    0    87   0   -  6.7-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1615 from c13no.peaks (3.52, 0.90, 19.22 ppm; 3.89 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1616 from c13no.peaks (3.80, 0.90, 19.22 ppm; 4.62 A increased from 4.10 A):
    1 out of 7 assignments used, quality = 0.81:
      HD2   PRO   97 + QG2   ILE  100  OK    81    81 100 100  4.4-4.7   1.8/1614=92, 1751/3465=75, 3483/2.1=67, ~3378=59...(24)
      HA    VAL  104 - QG2   ILE  100  poor  18   100  20  91  4.6-5.0   3.0/1676=68, 3590/1609=50, ~737=35, 5.8/3543=9
      HA2   GLY   94 - QG2   ILE  100  far    0    98   0   -  7.4-8.1
      HD3   PRO   58 - QG2   ILE  100  far    0    87   0   -  7.7-8.3
      HD2   PRO  126 - QG2   ILE  100  far    0    71   0   -  8.5-12.8
      HA    LEU   62 - QG2   ILE  100  far    0    90   0   -  9.4-11.0
      HA    GLU  113 - QG2   ILE  100  far    0   100   0   -  9.9-10.3
    Violated in 2 structures by 0.00 A.
 
    Peak 1617 from c13no.peaks (4.02, 0.90, 19.22 ppm; 3.16 A):
    1 out of 3 assignments used, quality = 0.97:
      HA    ILE  100 + QG2   ILE  100  OK    97    97 100 100  2.3-2.4   3.2=97, 2732/3.0=43, 3.0/1674=39, 2734/3.2=38...(22)
      HA    PHE   92 - QG2   ILE  100  far    0    60   0   -  7.5-7.9
      HA    GLU   90 - QG2   ILE  100  far    0    90   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1618 from c13no.peaks (0.28, 1.25, 18.25 ppm; 3.66 A increased from 3.44 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   62 + QB    ALA  116  OK    99    99 100 100  3.1-3.6   2.1/1619=82, 3836/1623=38, 977/1662=34, 166/162=32...(15)
    Violated in 1 structures by 0.00 A.
 
    Peak 1619 from c13no.peaks (0.49, 1.25, 18.25 ppm; 3.07 A):
    1 out of 1 assignment used, quality = 0.98:
      QD1   LEU   62 + QB    ALA  116  OK    98    99 100  99  1.8-2.3   2.1/1618=49, 3837/1623=31, 978/1662=29, 3885/2.1=28...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 1620 from c13no.peaks (2.08, 1.25, 18.25 ppm; 3.43 A increased from 3.23 A):
    1 out of 4 assignments used, quality = 0.99:
      HB3   PRO   58 + QB    ALA  116  OK    99   100 100 100  3.2-3.5   2138=81, 1.8/2132=51, 2.3/1625=38, 2.3/1621=38...(18)
      QB    GLN   59 - QB    ALA  116  far    0    57   0   -  3.9-4.5
      HB2   PRO  112 - QB    ALA  116  far    0    87   0   -  4.6-4.9
      HG2   PRO  109 - QB    ALA  116  far    0    68   0   -  6.4-7.5
    Violated in 3 structures by 0.00 A.
 
    Peak 1621 from c13no.peaks (2.24, 1.25, 18.25 ppm; 3.94 A increased from 3.50 A):
    2 out of 6 assignments used, quality = 0.92:
      HG2   PRO   58 + QB    ALA  116  OK    88    89 100 100  2.9-3.9   2.3/1620=78, 2.3/2132=62, 836/840=43, 3.8/1625=40...(13)
      HG3   GLU  113 + QB    ALA  116  OK    33    83  43  95  3.8-5.0   3.6/1623=61, 1.8/3838=40, 3839=39, 3835/1619=34...(7)
      HB    VAL  119 - QB    ALA  116  far    0    68   0   -  4.1-5.8
      HG3   GLU  114 - QB    ALA  116  far    0    68   0   -  6.1-6.2
      QG    GLU   54 - QB    ALA  116  far    0    83   0   -  7.5-8.1
      HB2   LEU   89 - QB    ALA  116  far    0    78   0   -  8.7-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1622 from c13no.peaks (2.42, 1.25, 18.25 ppm; 4.03 A increased from 3.59 A):
    1 out of 4 assignments used, quality = 0.70:
      HG3   GLN   59 + QB    ALA  116  OK    70    71 100  99  3.0-4.0   2205=60, 3.5/850=57, 3.5/856=56, 1.8/2206=46...(14)
      HG2   GLU   60 - QB    ALA  116  far    0    87   0   -  8.1-8.6
      QG    GLN  107 - QB    ALA  116  far    0    93   0   -  8.2-9.5
      HG2   GLU   81 - QB    ALA  116  far    0    99   0   -  9.8-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1623 from c13no.peaks (3.81, 1.25, 18.25 ppm; 3.20 A):
    1 out of 9 assignments used, quality = 0.90:
      HA    GLU  113 + QB    ALA  116  OK    90    92 100  98  2.5-2.8   3842=70, 975/1662=40, 3837/1619=35, 3836/1618=25...(12)
      HD3   PRO   58 - QB    ALA  116  far    0   100   0   -  4.6-5.1
      HD3   PRO  112 - QB    ALA  116  far    0    99   0   -  7.1-7.4
      HA    GLU   54 - QB    ALA  116  far    0    87   0   -  7.5-8.1
      QA    GLY  128 - QB    ALA  116  far    0    71   0   -  8.5-19.5
      HA    VAL  104 - QB    ALA  116  far    0    90   0   -  8.7-9.4
      HA    ARG   66 - QB    ALA  116  far    0    95   0   -  9.4-10.2
      HD2   PRO   97 - QB    ALA  116  far    0   100   0   -  9.4-9.7
      HA3   GLY  110 - QB    ALA  116  far    0    99   0   -  9.9-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1624 from c13no.peaks (4.23, 1.25, 18.25 ppm; 3.97 A):
    1 out of 5 assignments used, quality = 0.95:
      HA    ALA  117 + QB    ALA  116  OK    95    96 100 100  3.8-3.9   2075=86, 2.9/1294=75, 868/856=37, 845/850=36...(8)
      HA3   GLY   57 - QB    ALA  116  far    0    81   0   -  6.3-6.7
      HA    GLU   60 - QB    ALA  116  far    0    99   0   -  6.6-7.1
      HA    GLU   53 - QB    ALA  116  far    0   100   0   -  9.6-10.2
      HA    THR   56 - QB    ALA  116  far    0    73   0   -  9.7-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1625 from c13no.peaks (4.61, 1.25, 18.25 ppm; 4.62 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   58 + QB    ALA  116  OK   100   100 100 100  3.7-4.1   2.3/1620=93, 2.3/2132=81, 3.6/840=64, ~2136=52...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 1626 from c13no.peaks (1.87, 1.61, 18.28 ppm; 3.79 A):
    0 out of 4 assignments used, quality = 0.00:
      HG2   GLN   91 + QB    ALA   43  far    0    63   0   -  8.3-10.2
      QB    ARG   66 + QB    ALA   43  far    0   100   0   -  8.5-9.3
      HB2   LEU  122 + QB    ALA  343  far    0    87   0   -  9.8-23.9
      HB2   LYS   80 + QB    ALA   43  far    0    99   0   -  9.9-11.6
    Violated in 20 structures by 4.08 A.
 
    Peak 1627 from c13no.peaks (1.95, 1.61, 18.28 ppm; 4.23 A increased from 3.76 A):
    1 out of 4 assignments used, quality = 0.67:
      QB    ARG   46 + QB    ALA   43  OK    67    73  93  99  3.5-4.2   1584/2.1=69, 2505/1633=63, 3.3/1653=45, ~1576=36...(12)
      HB2   ARG   74 - QB    ALA   43  far    0    65   0   -  7.4-8.3
      HB3   GLU  125 - QB    ALA  343  far    0    95   0   -  7.9-25.9
      HB2   LEU   65 - QB    ALA   43  far    0   100   0   -  9.1-10.3
    Violated in 4 structures by 0.04 A.
 
    Peak 1628 from c13no.peaks (2.13, 1.61, 18.28 ppm; 3.46 A):
    1 out of 4 assignments used, quality = 0.59:
      QB    GLN   71 + QB    ALA   43  OK    59    97  88  69  2.1-3.7   4.0/1652=34, 5.3/1632=24, 6.0/1629=19, 6.0/1630=18
      HG3   PRO   40 - QB    ALA   43  far    0    85   0   -  5.7-6.7
      QB    GLU   67 - QB    ALA   43  far    0    99   0   -  6.6-7.6
      HB3   GLN   64 - QB    ALA   43  far    0    97   0   -  8.5-9.6
    Violated in 1 structures by 0.01 A.
 
    Peak 1629 from c13no.peaks (2.75, 1.61, 18.28 ppm; 3.54 A):
    1 out of 3 assignments used, quality = 0.89:
      HB3   TRP   72 + QB    ALA   43  OK    89    90 100  99  1.9-2.6   1.8/1630=56, 2633=56, 3.0/1632=52, 695/2.9=37...(13)
      HA    ARG   44 - QB    ALA   43  far    5    93   5   -  3.6-3.9
      QB    PRO   40 - QB    ALA   43  far    0    97   0   -  3.8-4.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1630 from c13no.peaks (3.29, 1.61, 18.28 ppm; 4.13 A):
    1 out of 2 assignments used, quality = 0.65:
      HB2   TRP   72 + QB    ALA   43  OK    65    65 100 100  2.0-3.1   1.8/1629=90, 3.0/1632=69, 3.9/1652=50, 2635=43...(9)
      HB2   PHE   47 - QB    ALA   43  far   14    81  18   -  3.9-4.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1631 from c13no.peaks (4.71, 1.61, 18.28 ppm; 3.42 A):
    1 out of 1 assignment used, quality = 0.43:
      HA    PRO   40 + QB    ALA   43  OK    43    96 100  45  2.4-3.4   740/2.9=39, 10/1629=9
    Violated in 1 structures by 0.00 A.
 
    Peak 1632 from c13no.peaks (4.90, 1.61, 18.28 ppm; 3.64 A increased from 3.24 A):
    1 out of 1 assignment used, quality = 0.90:
      HA    TRP   72 + QB    ALA   43  OK    90    93 100  96  2.9-3.5   3.0/1629=57, 3.0/1652=49, 3.0/1630=47, 693/2.9=29...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1633 from c13no.peaks (0.97, 1.61, 18.28 ppm; 3.91 A):
    1 out of 3 assignments used, quality = 0.98:
      QD2   LEU   68 + QB    ALA   43  OK    98   100 100  98  2.2-3.5   2504=87, 1582/2.1=61, 2505/1627=50, 2532/1653=24...(6)
      HG    LEU   65 - QB    ALA   43  far    0    99   0   -  8.9-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1634 from c13no.peaks (1.77, 1.77, 15.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QE    MET   83 + QE    MET   83  OK   100   100   - 100
 
    Peak 1635 from c13no.peaks (0.28, 1.77, 15.66 ppm; 3.11 A):
    0 out of 4 assignments used, quality = 0.00:
     ?HB3   LEU   73 - QE    MET   83  poor  18    39  90  52  2.3-4.2   1777/1782=17, 1002/996=11, 1915/1912=10, 237/2648=10...(7)
      QD1   LEU   73 - QE    MET   83  far   17   100  18   -  1.7-3.5
      HB3   ARG   44 - QE    MET   83  far    0    92   0   -  8.4-9.6
      QD2   LEU   62 - QE    MET   83  far    0    99   0   -  9.6-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1636 from c13no.peaks (0.74, 1.77, 15.66 ppm; 2.90 A increased from 2.57 A):
    2 out of 4 assignments used, quality = 0.97:
      QD1   LEU   84 + QE    MET   83  OK    94   100 100  94  2.6-2.9   2994=38, 3067/1782=31, 3004/2977=26, 2861/1639=23...(15)
     ?HB3   LEU   73 + QE    MET   83  OK    43    95  90  50  2.3-4.2   1932/1782=21, 1003/996=17, 1918/1921=8, 2968/2977=6...(7)
      QD1   LEU   87 - QE    MET   83  far    0   100   0   -  3.7-4.5
      QD1   LEU   65 - QE    MET   83  far    0    95   0   - 10.0-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1637 from c13no.peaks (2.60, 1.77, 15.66 ppm; 3.43 A):
    1 out of 3 assignments used, quality = 1.00:
      HG2   MET   83 + QE    MET   83  OK   100   100 100 100  2.8-3.3   3.3=100
      HB2   CYS   69 - QE    MET   83  far    0   100   0   -  5.3-6.6
      HD3   ARG   44 - QE    MET   83  far    0    98   0   -  8.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1638 from c13no.peaks (2.18, 1.77, 15.66 ppm; 2.95 A):
    0 out of 2 assignments used, quality = 0.00:
      HB    VAL   77 + QE    MET   83  far    0    99   0   -  5.2-6.7
      HB2   LEU   68 + QE    MET   83  far    0    81   0   -  9.7-10.7
    Violated in 20 structures by 3.19 A.
 
    Peak 1639 from c13no.peaks (3.78, 1.77, 15.66 ppm; 3.38 A increased from 3.00 A):
    1 out of 3 assignments used, quality = 0.76:
      HA    LYS   80 + QE    MET   83  OK    76    98  90  86  2.7-3.6   2861/1636=25, 2903/1648=24, 2.9/1650=24, 2991/2977=21...(10)
      HA    LEU   84 - QE    MET   83  far    0    87   0   -  4.5-4.9
      HA    ARG   66 - QE    MET   83  far    0    85   0   -  6.9-7.9
    Violated in 4 structures by 0.02 A.
 
    Peak 1640 from c13no.peaks (3.66, 1.77, 15.66 ppm; 4.23 A increased from 3.56 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    MET   83 + QE    MET   83  OK   100   100 100 100  4.0-4.1   3.0/2977=71, 2971/3.3=68, 2.9/1648=66, 311/3.3=63...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 1641 from c13no.peaks (3.21, 1.77, 15.66 ppm; 3.98 A):
    2 out of 5 assignments used, quality = 0.80:
      HD3   PRO   75 + QE    MET   83  OK    59    63 100  94  2.7-3.2   994/996=58, 3.6/1643=56, 2680/1636=18, 6.9/2648=18...(11)
      HA    LEU   73 + QE    MET   83  OK    51    60  85  99  3.8-4.3   3.0/1635=75, 3.6/996=57, 4.0/1782=53, 4.3/1912=37...(10)
      QD    ARG   74 - QE    MET   83  far    0    97   0   -  5.2-6.2
      HD2   ARG   70 - QE    MET   83  far    0    78   0   -  6.1-7.7
      HD2   ARG   44 - QE    MET   83  far    0    76   0   -  9.7-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1642 from c13no.peaks (3.05, 1.77, 15.66 ppm; 4.40 A increased from 3.91 A):
    1 out of 3 assignments used, quality = 0.80:
      HD2   ARG   78 + QE    MET   83  OK    80    92 100  87  3.8-4.3   3.5/1645=50, 2803/3.3=34, 1067/1648=30, 3.5/277=18...(7)
      HD3   ARG   66 - QE    MET   83  far    0    97   0   -  8.0-10.7
      HB3   PHE   47 - QE    MET   83  far    0    95   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1643 from c13no.peaks (4.36, 1.77, 15.66 ppm; 3.63 A):
    1 out of 1 assignment used, quality = 0.84:
      HA    PRO   75 + QE    MET   83  OK    84    99 100  85  1.7-1.9   2676/1645=26, 5.6/996=25, 3.6/1641=23, 2695/1636=22...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1644 from c13no.peaks (4.45, 1.77, 15.66 ppm; 5.21 A increased from 4.39 A):
    1 out of 3 assignments used, quality = 0.94:
      HA    SER   79 + QE    MET   83  OK    94   100  98  96  4.4-5.2   5.4/1639=62, 3.6/1650=60, 6.0/1645=36, 342/1646=25...(7)
      HB2   SER   79 - QE    MET   83  far    0   100   0   -  5.6-6.6
      HA    VAL   77 - QE    MET   83  far    0    76   0   -  5.8-6.6
    Violated in 1 structures by 0.00 A.
 
    Peak 1645 from c13no.peaks (1.53, 1.77, 15.66 ppm; 3.02 A increased from 2.84 A):
    2 out of 4 assignments used, quality = 0.69:
      HB3   ARG   78 + QE    MET   83  OK    55   100  63  89  2.0-3.4   3.5/1642=25, 2946/3.3=24, 2676/1643=23, 2822=21...(12)
     ?HB3   LEU   73 + QE    MET   83  OK    30    58  90  58  2.3-4.2   997/996=56, 2678/1641=5
      HG3   ARG   70 - QE    MET   83  far    0   100   0   -  5.3-6.3
      HB3   LEU   68 - QE    MET   83  far    0    89   0   -  9.4-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1646 from c13no.peaks (7.86, 1.77, 15.66 ppm; 5.50 A increased from 4.61 A):
    1 out of 3 assignments used, quality = 0.89:
      H     GLN   82 + QE    MET   83  OK    89    92  98 100  5.1-5.6   347/1648=83, 2905/1639=70, 6.3/1640=49, 7.2/2977=41...(10)
      H     GLU   85 - QE    MET   83  far    0    99   0   -  6.0-6.4
      HE21  GLN   71 - QE    MET   83  far    0   100   0   -  9.5-10.6
    Violated in 7 structures by 0.02 A.
 
    Peak 1647 from c13no.peaks (8.04, 1.77, 15.66 ppm; 3.81 A increased from 3.59 A):
    2 out of 2 assignments used, quality = 0.98:
      H     LEU   84 + QE    MET   83  OK    92   100  93  99  3.6-4.2   1078/2977=51, 353/1648=49, 1080/1636=46, 3.6/1640=44...(12)
      H     ARG   78 + QE    MET   83  OK    81    87 100  93  2.9-3.9   2714/1643=45, 1026/1645=35, 1022/3.3=26, 1025=26...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1648 from c13no.peaks (8.26, 1.77, 15.66 ppm; 4.03 A increased from 3.79 A):
    1 out of 1 assignment used, quality = 0.93:
      H     MET   83 + QE    MET   83  OK    93    93 100 100  3.7-3.9   1070=81, 1068/3.3=58, 2.9/1640=57, 4.0/2977=51...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1649 from c13no.peaks (8.71, 1.77, 15.66 ppm; 4.70 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLU   81 + QE    MET   83  far    0   100   0   -  5.5-6.3
    Violated in 20 structures by 1.29 A.
 
    Peak 1650 from c13no.peaks (9.11, 1.77, 15.66 ppm; 5.39 A increased from 5.07 A):
    1 out of 1 assignment used, quality = 0.80:
      H     LYS   80 + QE    MET   83  OK    80    81 100 100  4.2-5.2   2.9/1639=97, 3.6/1644=66, 7.7/1646=28, 7.7/1645=22...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 1651 from c13no.peaks (7.19, 1.61, 18.28 ppm; 3.78 A):
    0 out of 2 assignments used, quality = 0.00:
      HD1   TRP   72 + QB    ALA   43  far    0    98   0   -  4.1-5.2
      HZ    PHE   47 + QB    ALA   43  far    0    99   0   -  8.3-9.0
    Violated in 20 structures by 1.12 A.
 
    Peak 1652 from c13no.peaks (7.35, 1.61, 18.28 ppm; 4.03 A increased from 3.80 A):
    1 out of 3 assignments used, quality = 0.96:
      H     TRP   72 + QB    ALA   43  OK    96    98 100  98  3.1-4.0   3.0/1632=67, 3.9/1629=54, 4.0/1628=54, 3.9/1630=47...(7)
      QE    PHE   47 - QB    ALA   43  far    0    93   0   -  6.6-7.3
      HZ2   TRP   72 - QB    ALA   43  far    0    97   0   -  6.9-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1653 from c13no.peaks (7.57, 1.61, 18.28 ppm; 5.05 A increased from 4.49 A):
    1 out of 2 assignments used, quality = 0.65:
      H     ARG   46 + QB    ALA   43  OK    65    65 100 100  4.3-4.8   3.3/1627=77, ~1584=56, 2532/1633=51, 1576/2.1=49...(16)
      H     LEU   87 - QB    ALA   43  far    0   100   0   - 10.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1654 from c13no.peaks (7.86, 1.61, 18.28 ppm; 2.92 A):
    1 out of 3 assignments used, quality = 0.99:
      H     ALA   43 + QB    ALA   43  OK    99    99 100  99  2.0-2.3   2.9=99
      HE21  GLN   71 - QB    ALA   43  far    0   100   0   -  3.7-5.2
      H     ALA   42 - QB    ALA   43  far    0    97   0   -  4.0-4.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1655 from c13no.peaks (8.44, 1.61, 18.28 ppm; 3.53 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ARG   44 + QB    ALA   43  OK    97    97 100 100  2.4-2.9   716=100, 121/2.9=54, 4.0/1825=26, 715/5.8=22...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 1656 from c13no.peaks (6.91, 1.25, 18.25 ppm; 3.59 A):
    2 out of 5 assignments used, quality = 1.00:
      HE22  GLN   59 + QB    ALA  116  OK   100   100 100 100  1.9-2.3   856=83, 1.7/850=69, 3.5/1622=42, 857/1619=36...(15)
      HZ    PHE   92 + QB    ALA  116  OK    75    76 100  99  2.5-3.4   3892/2.1=58, 176=57, 2.2/162=54, 2174/1620=40...(14)
      QD    PHE   92 - QB    ALA  116  far    0   100   0   -  4.0-4.4
      H     LEU   96 - QB    ALA  116  far    0    83   0   -  8.5-9.8
      HE22  GLN  107 - QB    ALA  116  far    0    92   0   -  9.0-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1657 from c13no.peaks (7.03, 1.25, 18.25 ppm; 4.23 A):
    1 out of 2 assignments used, quality = 0.78:
      QE    PHE   92 + QB    ALA  116  OK    78    78 100 100  3.0-3.5   2.2/176=73, 162=71, ~117=54, ~3892=51...(18)
      QD    PHE   50 - QB    ALA  116  far    0   100   0   -  8.2-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1658 from c13no.peaks (7.63, 1.25, 18.25 ppm; 4.17 A):
    1 out of 6 assignments used, quality = 0.99:
      HE21  GLN   59 + QB    ALA  116  OK    99    99 100 100  2.5-3.3   850=97, 1.7/856=84, 3.5/1622=57, 165/840=44...(15)
      H     GLY   57 - QB    ALA  116  far    0    97   0   -  7.8-8.1
      H     LEU  122 - QB    ALA  116  far    0    85   0   -  7.9-8.2
      H     ALA   95 - QB    ALA  116  far    0    96   0   -  8.9-9.4
      HE21  GLN   64 - QB    ALA  116  far    0    68   0   -  9.3-9.8
      HE21  GLN  101 - QB    ALA  116  far    0   100   0   -  9.3-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1659 from c13no.peaks (7.77, 1.25, 18.25 ppm; 3.16 A):
    1 out of 4 assignments used, quality = 0.94:
      H     ALA  117 + QB    ALA  116  OK    94    95 100 100  2.8-2.9   1294=94, 533/1662=49, 2.9/1624=38, 1695/4.7=29...(15)
      H     ALA   61 - QB    ALA  116  far    0    90   0   -  5.4-5.8
      H     GLY   94 - QB    ALA  116  far    0   100   0   -  8.9-9.3
      H     GLU   90 - QB    ALA  116  far    0    68   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1660 from c13no.peaks (7.91, 1.25, 18.25 ppm; 3.87 A):
    0 out of 2 assignments used, quality = 0.00:
      H     VAL  119 + QB    ALA  116  far    0   100   0   -  4.7-5.0
      H     GLN   91 + QB    ALA  116  far    0    96   0   -  9.2-9.6
    Violated in 20 structures by 0.97 A.
 
    Peak 1661 from c13no.peaks (8.12, 1.25, 18.25 ppm; 4.82 A):
    1 out of 3 assignments used, quality = 0.99:
      H     LEU   62 + QB    ALA  116  OK    99   100 100  99  4.3-4.7   889/1619=77, 888/1618=71, 132/162=56, 875/1625=44...(6)
      H     LEU   93 - QB    ALA  116  far    0    85   0   -  6.9-7.3
      H     GLN   64 - QB    ALA  116  far    0    93   0   -  7.3-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1662 from c13no.peaks (8.51, 1.25, 18.25 ppm; 2.85 A):
    1 out of 3 assignments used, quality = 0.99:
      H     ALA  116 + QB    ALA  116  OK    99   100 100  99  2.0-2.2   2.9=92, 533/1294=39, 975/1623=28, 978/1619=23...(16)
      H     GLN   59 - QB    ALA  116  far    0    92   0   -  3.1-3.7
      H     LEU   89 - QB    ALA  116  far    0   100   0   -  8.3-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1663 from c13no.peaks (8.93, 1.25, 18.25 ppm; 5.02 A increased from 4.73 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLU  113 + QB    ALA  116  OK   100   100 100 100  4.6-4.8   1271=97, 2.9/1623=95, 634/1662=69, 1274/1619=63...(17)
      H     GLY  110 - QB    ALA  116  far    0    96   0   -  8.4-8.9
      H     VAL   88 - QB    ALA  116  far    0    60   0   -  9.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1664 from c13no.peaks (6.56, 1.89, 19.36 ppm; 4.00 A increased from 3.37 A):
    1 out of 1 assignment used, quality = 0.76:
      QE    TYR   52 + QB    ALA   61  OK    76    76 100 100  3.6-3.9   2.2/244=89, 109/1666=51, 46/1605=49, 3.9/1602=38...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1665 from c13no.peaks (6.84, 1.89, 19.36 ppm; 3.33 A):
    1 out of 1 assignment used, quality = 0.80:
      QD    TYR   52 + QB    ALA   61  OK    80    81 100  99  2.2-2.8   244=77, 2.2/1664=48, 2.1/1602=32, 42/1605=31...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1666 from c13no.peaks (7.04, 1.89, 19.36 ppm; 3.55 A):
    1 out of 3 assignments used, quality = 1.00:
      QE    PHE   92 + QB    ALA   61  OK   100   100 100 100  1.9-2.7   158=89, 2.2/144=43, 132/882=39, 130/2.9=36...(10)
      QD    PHE   50 - QB    ALA   61  far    4    78   5   -  3.6-3.9
      HD2   HIS   51 - QB    ALA   61  far    0    98   0   -  6.1-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1667 from c13no.peaks (7.32, 1.89, 19.36 ppm; 3.46 A):
    1 out of 1 assignment used, quality = 0.67:
      QE    PHE   50 + QB    ALA   61  OK    67    68 100  98  1.9-2.0   266=65, 2.2/277=48, 2258/2.1=45, 60/244=37...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1668 from c13no.peaks (7.37, 1.89, 19.36 ppm; 3.53 A):
    0 out of 2 assignments used, quality = 0.00:
      QE    PHE   47 + QB    ALA   61  far    0   100   0   -  6.4-7.3
      H     GLU   67 + QB    ALA   61  far    0    93   0   -  7.6-8.0
    Violated in 20 structures by 2.91 A.
 
    Peak 1669 from c13no.peaks (7.81, 1.89, 19.36 ppm; 3.00 A):
    1 out of 3 assignments used, quality = 0.89:
      H     ALA   61 + QB    ALA   61  OK    89    89 100 100  2.0-2.2   2.9=100
      H     GLU  114 - QB    ALA   61  far    0    76   0   -  9.3-9.7
      H     LEU  118 - QB    ALA   61  far    0    65   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1670 from c13no.peaks (8.12, 1.89, 19.36 ppm; 3.26 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU   62 + QB    ALA   61  OK   100   100 100 100  2.4-2.8   882=99, 177/2.9=54, 3.0/1603=35, 889/2274=32...(22)
      H     GLN   64 - QB    ALA   61  far    0   100   0   -  4.4-4.7
      H     LEU   93 - QB    ALA   61  far    0    98   0   -  6.5-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1671 from c13no.peaks (8.59, 1.89, 19.36 ppm; 4.55 A increased from 4.04 A):
    1 out of 2 assignments used, quality = 0.94:
      H     GLU   60 + QB    ALA   61  OK    94    95 100 100  4.1-4.4   172/2.9=83, 175/882=61, 5.6=54, 1776/1600=54...(12)
      H     CYS   69 - QB    ALA   61  far    0   100   0   -  8.7-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1672 from c13no.peaks (8.47, 1.89, 19.36 ppm; 4.32 A):
    1 out of 3 assignments used, quality = 0.74:
      H     GLU   53 + QB    ALA   61  OK    74    78 100  94  2.7-3.6   61/244=68, 4.0/1602=44, 797/266=35, 6.6/1664=26...(6)
      H     GLN   59 - QB    ALA   61  far    0    83   0   -  4.7-5.0
      H     GLN  101 - QB    ALA   61  far    0    65   0   - 10.0-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1673 from c13no.peaks (6.92, 0.90, 19.22 ppm; 4.64 A):
    0 out of 4 assignments used, quality = 0.00:
      HE22  GLN  107 + QG2   ILE  100  far    0    68   0   -  5.2-5.9
      H     LEU   96 + QG2   ILE  100  far    0    98   0   -  5.6-5.9
      QD    PHE   92 + QG2   ILE  100  far    0    99   0   -  5.6-6.2
      HE22  GLN   59 + QG2   ILE  100  far    0    96   0   -  8.5-9.3
    Violated in 20 structures by 0.16 A.
 
    Peak 1674 from c13no.peaks (7.37, 0.90, 19.22 ppm; 3.85 A):
    1 out of 2 assignments used, quality = 0.96:
      H     ILE  100 + QG2   ILE  100  OK    96    96 100 100  3.8-3.8   4.0=88, 235/2.1=86, 3.0/1617=71, 237/3.2=61...(24)
      H     ARG  103 - QG2   ILE  100  far    0    89   0   -  4.1-4.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1675 from c13no.peaks (7.64, 0.90, 19.22 ppm; 5.50 A increased from 4.99 A):
    1 out of 5 assignments used, quality = 0.24:
      HE21  GLN  101 + QG2   ILE  100  OK    24    89  28  99  5.0-5.9   1201/1609=72, 1202/3465=58, 481/1677=53, 475/5.9=46...(8)
      H     LEU  122 - QG2   ILE  100  far   17    99  18   -  5.4-5.9
      H     ALA   95 - QG2   ILE  100  far    0    73   0   -  7.2-7.6
      H     GLY   57 - QG2   ILE  100  far    0    78   0   -  8.4-9.5
      HE21  GLN   59 - QG2   ILE  100  far    0    83   0   -  8.4-9.1
    Violated in 16 structures by 0.22 A.
 
    Peak 1676 from c13no.peaks (7.97, 0.90, 19.22 ppm; 4.41 A):
    1 out of 4 assignments used, quality = 0.91:
      H     VAL  104 + QG2   ILE  100  OK    91    99 100  92  3.3-3.5   737/1617=63, 725/1609=56, 738/5.9=34, 3569/3543=13
      H     ARG  124 - QG2   ILE  100  far    0    63   0   -  6.1-8.2
      H     GLY  121 - QG2   ILE  100  far    0    99   0   -  6.3-6.9
      H     ALA  115 - QG2   ILE  100  far    0    65   0   -  7.7-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1677 from c13no.peaks (8.51, 0.90, 19.22 ppm; 3.91 A):
    1 out of 4 assignments used, quality = 0.95:
      H     GLN  101 + QG2   ILE  100  OK    95    95 100 100  3.1-3.3   1136/2.1=80, 4.3=74, 3.6/1617=62, 231/1674=58...(22)
      H     ALA  116 - QG2   ILE  100  far    0   100   0   -  7.1-7.4
      H     GLN   59 - QG2   ILE  100  far    0    83   0   -  8.4-9.1
      H     GLY  127 - QG2   ILE  100  far    0    83   0   -  9.3-15.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1678 from c13no.peaks (0.28, 1.41, 18.89 ppm; 4.97 A increased from 4.41 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   62 + QB    ALA  115  OK   100   100 100 100  4.1-4.8   147/145=81, 2289/3742=75, 166/1688=68, 1618/4.6=64...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1679 from c13no.peaks (0.52, 1.41, 18.89 ppm; 3.96 A):
    1 out of 1 assignment used, quality = 0.78:
      QD1   LEU   96 + QB    ALA  115  OK    78    81 100  97  2.9-3.5   3320=71, 165/1688=46, 148/145=43, 3591/1681=33...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 1680 from c13no.peaks (0.76, 1.41, 18.89 ppm; 3.25 A increased from 2.89 A):
    1 out of 3 assignments used, quality = 0.51:
      QD2   LEU   89 + QB    ALA  115  OK    51    65 100  78  2.7-3.2   3744/3742=38, 1287/2.9=37, 3200/145=21, 1279/1689=18
      QD1   LEU   65 - QB    ALA  115  far    0    97   0   -  6.0-6.7
      QD1   LEU   87 - QB    ALA  115  far    0    71   0   -  9.2-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1681 from c13no.peaks (0.89, 1.41, 18.89 ppm; 3.16 A):
    1 out of 9 assignments used, quality = 0.43:
      QQG   VAL  104 + QB    ALA  115  OK    43    78 100  55  2.1-2.6   3591/3320=27, 3580/1688=17, 3595/1685=13, 3579/145=9
      QD2   LEU  118 - QB    ALA  115  far    0    81   0   -  3.3-3.4
      QG2   ILE  100 - QB    ALA  115  far    0    99   0   -  4.6-5.0
      QG1   VAL   88 - QB    ALA  115  far    0    95   0   -  5.3-5.9
      QD1   LEU  122 - QB    ALA  115  far    0    71   0   -  5.3-5.8
      QD1   ILE  100 - QB    ALA  115  far    0    93   0   -  6.2-6.7
      HB3   LEU   96 - QB    ALA  115  far    0    68   0   -  6.3-6.6
      QD2   LEU  122 - QB    ALA  115  far    0    68   0   -  6.9-7.5
      QD2   LEU   86 - QB    ALA  115  far    0   100   0   -  8.8-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1682 from c13no.peaks (1.75, 1.41, 18.89 ppm; 3.62 A):
    1 out of 7 assignments used, quality = 1.00:
      HG3   PRO  109 + QB    ALA  115  OK   100   100 100 100  1.9-2.8   1.8/1685=77, 2.3/1683=68, 3887/2.1=56, 2.3/1684=49...(16)
      HG    LEU   89 - QB    ALA  115  far    0    89   0   -  4.4-5.5
      HB2   LEU   62 - QB    ALA  115  far    0   100   0   -  6.3-7.8
      HG3   ARG  103 - QB    ALA  115  far    0   100   0   -  7.3-10.3
      HB2   ARG  108 - QB    ALA  115  far    0    92   0   -  7.3-8.1
      HG3   ARG  123 - QB    ALA  115  far    0   100   0   -  9.3-10.6
      QB    LEU   84 - QB    ALA  115  far    0    99   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1683 from c13no.peaks (1.91, 1.41, 18.89 ppm; 3.49 A):
    1 out of 8 assignments used, quality = 0.73:
      HB3   PRO  109 + QB    ALA  115  OK    73    73 100 100  2.9-3.3   2.3/1685=64, 2.3/1682=60, 1283/2.9=53, 1.8/1684=52...(14)
      HB2   LEU   93 - QB    ALA  115  poor  17    83  20   -  3.3-4.7
      HG    LEU  118 - QB    ALA  115  far    2    73   3   -  3.6-3.8
      HB3   PRO  112 - QB    ALA  115  far    0   100   0   -  4.7-5.2
      QB    ALA   61 - QB    ALA  115  far    0    89   0   -  6.3-6.9
      HB3   GLU  113 - QB    ALA  115  far    0    99   0   -  6.5-6.7
      HG    LEU  122 - QB    ALA  115  far    0    73   0   -  7.4-7.9
      HB3   ARG  103 - QB    ALA  115  far    0    99   0   -  7.5-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1684 from c13no.peaks (1.99, 1.41, 18.89 ppm; 3.72 A increased from 3.50 A):
    2 out of 7 assignments used, quality = 1.00:
      HB2   PRO  109 + QB    ALA  115  OK   100   100 100 100  3.3-3.7   1.8/1683=80, 2.3/1685=71, 2.3/1682=68, 3704/2.9=58...(16)
      HG    LEU   93 + QB    ALA  115  OK    27   100  30  89  2.4-4.3   ~3278=38, 3265/3320=33, 2.1/3253=28, 2.1/3252=26...(7)
      HB    VAL  104 - QB    ALA  115  far    6    60  10   -  3.6-4.3
      HB2   GLU  113 - QB    ALA  115  far    0    78   0   -  6.2-6.4
      HB2   ARG  103 - QB    ALA  115  far    0   100   0   -  7.6-9.4
      QB    ARG  123 - QB    ALA  115  far    0    81   0   -  8.3-10.2
      QB    GLU   54 - QB    ALA  115  far    0    76   0   -  9.0-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1685 from c13no.peaks (2.12, 1.41, 18.89 ppm; 3.47 A):
    1 out of 9 assignments used, quality = 0.96:
      HG2   PRO  109 + QB    ALA  115  OK    96    97 100 100  2.0-2.8   1.8/1682=68, 2.3/1683=63, 2.3/1684=46, 2.3/1686=43...(15)
      QB    GLU  114 - QB    ALA  115  far    0   100   0   -  3.7-3.7
      HB2   PRO  112 - QB    ALA  115  far    0    85   0   -  4.9-5.3
      HB2   LEU  118 - QB    ALA  115  far    0   100   0   -  5.8-5.9
      QG    GLU   90 - QB    ALA  115  far    0    76   0   -  6.9-8.1
      QB    GLU   85 - QB    ALA  115  far    0    99   0   -  7.1-7.5
      QB    GLN  105 - QB    ALA  115  far    0    78   0   -  7.3-8.0
      QB    GLN   59 - QB    ALA  115  far    0    99   0   -  8.2-8.8
      HG3   PRO   97 - QB    ALA  115  far    0    89   0   -  8.9-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1686 from c13no.peaks (3.65, 1.41, 18.89 ppm; 4.43 A):
    1 out of 1 assignment used, quality = 0.93:
      HD2   PRO  109 + QB    ALA  115  OK    93    93 100 100  3.8-4.2   2.3/1685=89, 2.3/1682=87, 3.0/1683=79, 1.8/3671=64...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 1687 from c13no.peaks (6.92, 1.41, 18.89 ppm; 3.62 A):
    1 out of 4 assignments used, quality = 1.00:
      QD    PHE   92 + QB    ALA  115  OK   100   100 100 100  2.1-2.7   145=98, 2.2/1688=65, 148/3320=37, 147/1678=30...(12)
      HE22  GLN  107 - QB    ALA  115  far    0    78   0   -  6.0-7.7
      HE22  GLN   59 - QB    ALA  115  far    0    99   0   -  6.3-7.2
      H     LEU   96 - QB    ALA  115  far    0    95   0   -  6.4-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1688 from c13no.peaks (7.05, 1.41, 18.89 ppm; 3.71 A):
    1 out of 2 assignments used, quality = 1.00:
      QE    PHE   92 + QB    ALA  115  OK   100   100 100 100  1.9-2.6   180=84, 2.2/145=76, 165/3320=40, 2.2/178=40...(12)
      QD    PHE   50 - QB    ALA  115  far    0    71   0   -  8.8-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1689 from c13no.peaks (7.82, 1.41, 18.89 ppm; 4.48 A increased from 3.99 A):
    1 out of 4 assignments used, quality = 0.97:
      H     GLU  114 + QB    ALA  115  OK    97    97 100 100  4.2-4.4   534/2.9=85, 1277/5.0=53, 1279/1680=48, 3803/3742=47...(15)
      H     LEU  118 - QB    ALA  115  far    0    92   0   -  4.8-4.9
      H     ALA   61 - QB    ALA  115  far    0    60   0   -  8.8-9.2
      H     ARG  123 - QB    ALA  115  far    0    93   0   -  9.2-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1690 from c13no.peaks (7.96, 1.41, 18.89 ppm; 3.07 A):
    1 out of 3 assignments used, quality = 0.99:
      H     ALA  115 + QB    ALA  115  OK    99    99 100 100  2.0-2.2   2.9=100
      H     VAL  104 - QB    ALA  115  far    0    97   0   -  5.9-6.5
      H     GLY  121 - QB    ALA  115  far    0    97   0   -  7.6-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1691 from c13no.peaks (8.50, 1.41, 18.89 ppm; 3.39 A):
    1 out of 4 assignments used, quality = 1.00:
      H     ALA  116 + QB    ALA  115  OK   100   100 100 100  2.7-2.9   982=100, 565/2.9=57, 1662/4.6=34, 533/1295=32...(16)
      H     LEU   89 - QB    ALA  115  far    0   100   0   -  6.7-7.1
      H     GLN  101 - QB    ALA  115  far    0    99   0   -  7.5-7.9
      H     GLN   59 - QB    ALA  115  far    0    95   0   -  7.8-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1692 from c13no.peaks (8.94, 1.41, 18.89 ppm; 4.96 A):
    2 out of 3 assignments used, quality = 0.94:
      H     GLY  110 + QB    ALA  115  OK    90    90 100 100  3.9-4.6   3.9/1683=77, 1254/1685=72, 537/1263=61, 5.0/1682=59...(13)
      H     GLU  113 + QB    ALA  115  OK    40    99  40 100  4.9-5.1   3.6/3742=81, 543/2.9=75, 536/1689=65, 634/982=62...(17)
      H     VAL   88 - QB    ALA  115  far    0    71   0   -  8.7-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1693 from c13no.peaks (8.51, 1.52, 18.31 ppm; 4.29 A increased from 3.81 A):
    1 out of 6 assignments used, quality = 1.00:
      H     ALA  116 + QB    ALA  117  OK   100   100 100 100  4.1-4.2   533/1695=88, 5.2=57, 1662/4.7=56, ~1624=41...(17)
      H     GLN   59 - QB    ALA   63  far    0    45   0   -  5.7-6.8
      H     LEU   68 - QB    ALA   63  far    0    64   0   -  6.3-6.7
      H     GLN   59 - QB    ALA  117  far    0    81   0   -  6.6-7.3
      H     GLY  127 - QB    ALA  117  far    0    81   0   -  8.3-18.5
      H     ALA  116 - QB    ALA   63  far    0    63   0   -  8.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1694 from c13no.peaks (7.84, 1.52, 18.31 ppm; 2.96 A):
    1 out of 5 assignments used, quality = 0.94:
      H     LEU  118 + QB    ALA  117  OK    94    97 100  96  2.2-2.5   1304=79, 574/1695=58, 1303/5.5=15, 3916/5.6=14...(9)
      H     GLU  114 - QB    ALA  117  far    0    93   0   -  4.9-5.2
      HE21  GLN   71 - QB    ALA   63  far    0    46   0   -  8.5-9.3
      H     GLU   85 - QB    ALA   63  far    0    31   0   -  9.6-11.0
      H     GLU  114 - QB    ALA   63  far    0    55   0   -  9.8-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1695 from c13no.peaks (7.76, 1.52, 18.31 ppm; 2.59 A):
    1 out of 4 assignments used, quality = 0.98:
      H     ALA  117 + QB    ALA  117  OK    98   100 100  98  2.1-2.3   1296=91, 574/1694=39, 577/2062=21, 533/1693=19...(9)
      H     ALA   61 - QB    ALA   63  far    0    40   0   -  4.7-5.1
      H     ALA  117 - QB    ALA   63  far    0    63   0   -  9.5-11.0
      H     ALA   61 - QB    ALA  117  far    0    73   0   -  9.9-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1696 from c13no.peaks (3.82, 1.55, 18.36 ppm; 4.25 A):
    0 out of 12 assignments used, quality = 0.00:
      HA    GLU  113 + QB    ALA  117  far    0    49   0   -  5.1-5.6
      HA    ARG   66 + QB    ALA   63  far    0    90   0   -  6.7-6.9
      QA    GLY  128 + QB    ALA  117  far    0    43   0   -  6.8-18.6
      HA    GLU  113 + QB    ALA   63  far    0    87   0   -  6.9-8.2
      HD3   PRO   58 + QB    ALA  117  far    0    64   0   -  7.3-7.7
      HA    ARG   48 + QB    ALA  417  far    0    49   0   -  7.6-36.8
      HA    VAL  104 + QB    ALA  117  far    0    48   0   -  7.7-8.2
      HD3   PRO   58 + QB    ALA   63  far    0   100   0   -  7.8-8.7
      HA    GLU   81 + QB    ALA   63  far    0    89   0   -  8.4-10.0
      HD3   PRO  112 + QB    ALA  117  far    0    59   0   -  9.3-9.6
      HA3   GLY  110 + QB    ALA  117  far    0    64   0   -  9.4-9.8
      HD2   PRO  126 + QB    ALA  117  far    0    62   0   -  9.5-16.1
    Violated in 20 structures by 0.65 A.
 
    Peak 1697 from c13no.peaks (8.13, 1.55, 18.36 ppm; 2.97 A):
    1 out of 4 assignments used, quality = 0.98:
      H     GLN   64 + QB    ALA   63  OK    98    99 100  98  2.7-2.9   911=88, 180/2.9=44, 2339/2326=25, 181/1698=22...(14)
      H     LEU   62 - QB    ALA   63  far    0    92   0   -  4.2-4.5
      H     LEU   45 - QB    ALA  417  far    0    40   0   -  8.0-31.3
      H     LEU   62 - QB    ALA  117  far    0    54   0   -  9.0-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1698 from c13no.peaks (8.65, 1.55, 18.36 ppm; 4.75 A increased from 4.00 A):
    1 out of 3 assignments used, quality = 0.81:
      H     LEU   65 + QB    ALA   63  OK    81    81 100 100  4.5-4.8   181/1697=89, 934=75, 202/2.9=57, 5.5/2321=46...(18)
      H     ARG   66 - QB    ALA   63  poor  14    68  20   -  4.7-5.1
      HE    ARG   44 - QB    ALA  417  far    0    51   0   -  6.6-34.1
    Violated in 3 structures by 0.00 A.
 
    Peak 1699 from c13no.peaks (7.75, 1.55, 18.36 ppm; 2.64 A):
    2 out of 3 assignments used, quality = 0.86:
      H     ALA   63 + QB    ALA   63  OK    68    73 100  93  2.0-2.2   2.9=73, 180/1697=30, 389/2225=16, 202/934=12...(12)
      H     ALA  117 + QB    ALA  117  OK    56    61 100  93  2.1-2.3   2.9=73, 574/3.6=31, 577/2062=22, 1294/4.7=17...(9)
      H     ALA  117 - QB    ALA   63  far    0    99   0   -  9.5-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1705 from c13no.peaks (7.32, 1.43, 19.52 ppm; 4.38 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1706 from c13no.peaks (7.39, 1.43, 19.52 ppm; 4.30 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1707 from c13no.peaks (7.72, 1.43, 19.52 ppm; 3.50 A):
    1 out of 2 assignments used, quality = 1.00:
      H     THR   56 + QB    ALA   55  OK   100   100 100 100  2.7-2.9   817=97, 153/2.9=49, 3.0/2106=42, 2096/1709=28...(10)
      H     HIS   51 - QB    ALA   55  far    0    99   0   -  8.9-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1708 from c13no.peaks (8.42, 1.43, 19.52 ppm; 3.16 A):
    1 out of 3 assignments used, quality = 0.81:
      H     ALA   55 + QB    ALA   55  OK    81    81 100 100  2.0-2.2   2.9=100
      H     GLU   54 - QB    ALA   55  far    0    90   0   -  4.2-4.4
      H     GLU   53 - QB    ALA   55  far    0    65   0   -  5.5-5.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1709 from c13no.peaks (1.96, 1.43, 19.52 ppm; 3.77 A increased from 3.54 A):
    1 out of 4 assignments used, quality = 0.77:
      HB2   GLU   53 + QB    ALA   55  OK    77    97 100  79  3.5-3.8   2096/1707=35, ~810=30, 2082/5.5=24, ~3905=17...(7)
      QB    ARG  123 - QB    ALA   55  far    0    97   0   -  7.7-8.8
      HB3   PRO  126 - QB    ALA   55  far    0    87   0   -  8.3-18.7
      HB3   GLU  125 - QB    ALA   55  far    0    63   0   -  8.3-15.3
    Violated in 1 structures by 0.00 A.
 
    Peak 1710 from c13no.peaks (2.14, 1.43, 19.52 ppm; 3.51 A):
    0 out of 2 assignments used, quality = 0.00:
      QG    GLU   53 + QB    ALA   55  far    0    99   0   -  4.3-4.6
      HB2   GLU   60 + QB    ALA   55  far    0    85   0   -  7.0-7.6
    Violated in 20 structures by 0.91 A.
 
    Peak 1711 from c13no.peaks (0.59, 1.61, 20.52 ppm; 4.60 A increased from 4.09 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   65 + QB    ALA   95  OK    99    99 100 100  3.5-4.4   281/1722=77, 2.1/1712=75, 272/267=54, 2370/2008=51...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1712 from c13no.peaks (0.76, 1.61, 20.52 ppm; 4.59 A increased from 3.86 A):
    1 out of 3 assignments used, quality = 0.98:
      QD1   LEU   65 + QB    ALA   95  OK    98    98 100 100  3.8-4.6   2.1/1711=75, 284/1722=74, 2394/3232=65, 271/267=56...(8)
      QD2   LEU   89 - QB    ALA   95  far    0    71   0   -  6.6-7.3
      QD1   LEU   87 - QB    ALA   95  far    0    76   0   -  8.6-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1713 from c13no.peaks (2.79, 1.61, 20.52 ppm; 3.70 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    TYR   52 + QB    ALA   95  OK    99   100 100  99  2.7-3.0   2059=61, 791/1727=53, 2.5/1717=51, 1114/1111=33...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1714 from c13no.peaks (3.27, 1.61, 20.52 ppm; 5.50 A increased from 4.71 A):
    1 out of 3 assignments used, quality = 0.97:
      HB2   PHE   50 + QB    ALA   95  OK    97    97 100 100  5.1-5.6   2.5/1722=100, 2012=97, 1.8/2008=94, 4.4/267=70...(13)
      HB2   PHE   47 - QB    ALA   95  far    0   100   0   -  8.2-8.8
      QD    ARG   46 - QB    ALA   95  far    0    90   0   -  9.8-11.2
    Violated in 11 structures by 0.02 A.
 
    Peak 1715 from c13no.peaks (3.80, 1.61, 20.52 ppm; 5.18 A increased from 4.36 A):
    1 out of 5 assignments used, quality = 0.98:
      HA2   GLY   94 + QB    ALA   95  OK    98    98 100 100  4.9-5.0   4.4=100
      HD2   PRO   97 - QB    ALA   95  far   12    81  15   -  5.2-5.7
      HA    LEU   62 - QB    ALA   95  far    0    90   0   -  6.5-7.7
      HA    ARG   66 - QB    ALA   95  far    0   100   0   -  9.7-10.8
      HD3   PRO  112 - QB    ALA   95  far    0    98   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1716 from c13no.peaks (4.02, 1.61, 20.52 ppm; 3.60 A):
    1 out of 3 assignments used, quality = 0.60:
      HA    PHE   92 + QB    ALA   95  OK    60    63 100  96  2.6-3.0   3232=43, 3.6/1726=32, 3.0/1728=31, 3241/2.9=23...(14)
      HA    GLU   90 - QB    ALA   95  far    0    89   0   -  6.6-6.9
      HA    ILE  100 - QB    ALA   95  far    0    97   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1717 from c13no.peaks (4.12, 1.61, 20.52 ppm; 4.26 A):
    1 out of 3 assignments used, quality = 0.73:
      HA    TYR   52 + QB    ALA   95  OK    73    73 100 100  3.8-4.2   2.5/1713=78, 3.0/1727=72, 72/267=52, 5.3/1718=39...(11)
      HA    PHE   50 - QB    ALA   95  far    0    90   0   -  4.7-5.1
      HA    GLN   64 - QB    ALA   95  far    0   100   0   -  9.5-10.4
    Violated in 1 structures by 0.00 A.
 
    Peak 1718 from c13no.peaks (4.73, 1.61, 20.52 ppm; 3.68 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    HIS   51 + QB    ALA   95  OK    97   100 100  97  1.8-2.0   151/1727=53, 3.0/2046=36, 3.0/787=34, 3.0/2051=32...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1719 from c13no.peaks (6.45, 1.61, 20.52 ppm; 4.10 A):
    1 out of 1 assignment used, quality = 0.97:
      HE22  GLN   91 + QB    ALA   95  OK    97    99 100  98  1.8-4.1   1.7/1720=78, 1162=63, 446/1111=44, ~416=22...(8)
    Violated in 1 structures by 0.00 A.
 
    Peak 1720 from c13no.peaks (6.70, 1.61, 20.52 ppm; 4.02 A):
    1 out of 3 assignments used, quality = 0.62:
      HE21  GLN   91 + QB    ALA   95  OK    62    65 100  95  1.9-4.0   1.7/1719=74, 1064=38, ~446=31, 447/1111=19...(8)
      HE22  GLN  101 - QB    ALA   95  far    0    93   0   -  6.1-7.3
      HE22  GLN  105 - QB    ALA   95  far    0   100   0   -  8.7-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1721 from c13no.peaks (6.94, 1.61, 20.52 ppm; 3.69 A increased from 3.48 A):
    1 out of 2 assignments used, quality = 0.98:
      H     LEU   96 + QB    ALA   95  OK    98    98 100 100  2.9-3.6   3.6=100
      QD    PHE   92 - QB    ALA   95  far    0    68   0   -  4.3-4.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1722 from c13no.peaks (7.03, 1.61, 20.52 ppm; 3.47 A increased from 3.27 A):
    1 out of 3 assignments used, quality = 1.00:
      QD    PHE   50 + QB    ALA   95  OK   100   100 100 100  2.8-3.3   278=97, 2.2/267=45, 2.5/2008=35, 281/1711=33...(15)
      HD2   HIS   51 - QB    ALA   95  far    0    97   0   -  4.5-5.0
      QE    PHE   92 - QB    ALA   95  far    0    78   0   -  5.4-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1723 from c13no.peaks (7.31, 1.61, 20.52 ppm; 4.59 A increased from 3.86 A):
    1 out of 1 assignment used, quality = 0.89:
      QE    PHE   50 + QB    ALA   95  OK    89    89 100 100  3.6-4.4   2.2/1722=94, 267=89, 72/1717=54, 2065/1713=49...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 1724 from c13no.peaks (7.63, 1.61, 20.52 ppm; 3.00 A):
    1 out of 5 assignments used, quality = 0.93:
      H     ALA   95 + QB    ALA   95  OK    93    93 100 100  2.1-2.3   2.9=100
      HE21  GLN  101 - QB    ALA   95  far    0    99   0   -  6.0-7.2
      H     PHE   47 - QB    ALA   95  far    0    78   0   -  8.6-9.1
      H     GLY   57 - QB    ALA   95  far    0    96   0   -  9.4-9.9
      HE21  GLN   64 - QB    ALA   95  far    0    73   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1725 from c13no.peaks (7.77, 1.61, 20.52 ppm; 4.58 A increased from 4.07 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLY   94 + QB    ALA   95  OK    99    99 100 100  4.2-4.4   1177=98, 431/1111=87, 432/3.6=60, 434/2.1=58...(17)
      H     GLU   90 - QB    ALA   95  far    0    81   0   -  7.5-7.7
      H     ALA   61 - QB    ALA   95  far    0    81   0   -  7.7-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1726 from c13no.peaks (8.15, 1.61, 20.52 ppm; 4.90 A):
    1 out of 4 assignments used, quality = 0.91:
      H     LEU   93 + QB    ALA   95  OK    91    96  95 100  4.6-5.0   3.6/1716=80, 439/2.9=72, 422/1177=69, 3.0/3274=58...(17)
      HE1   HIS   51 - QB    ALA   95  far    0    96   0   -  7.1-7.4
      H     LEU   62 - QB    ALA   95  far    0    68   0   -  7.2-8.1
      H     GLN   64 - QB    ALA   95  far    0    89   0   -  8.4-9.3
    Violated in 2 structures by 0.01 A.
 
    Peak 1727 from c13no.peaks (8.30, 1.61, 20.52 ppm; 3.69 A):
    1 out of 1 assignment used, quality = 1.00:
      H     TYR   52 + QB    ALA   95  OK   100   100 100 100  1.9-2.4   792=99, 151/1718=54, 791/1713=52, 3.0/1717=47...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 1728 from c13no.peaks (9.16, 1.61, 20.52 ppm; 5.21 A):
    1 out of 1 assignment used, quality = 0.98:
      H     PHE   92 + QB    ALA   95  OK    98    98 100 100  4.4-4.6   3.0/1716=93, 426/1111=70, 419/1726=64, 2401/1712=63...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 1729 from c13no.peaks (1.52, 0.88, 20.20 ppm; 3.59 A increased from 3.38 A):
    1 out of 4 assignments used, quality = 0.97:
      HB3   ARG   78 + QG2   VAL   77  OK    97    98 100  99  3.1-3.5   3.0/1730=56, 1026/1027=52, 3.5/2808=36, 1019/1737=34...(12)
      HB3   LYS   80 - QG2   VAL   77  far    0    81   0   -  8.5-9.7
      HG3   ARG   70 - QG2   VAL   77  far    0    98   0   -  8.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1730 from c13no.peaks (1.75, 0.88, 20.20 ppm; 3.52 A increased from 2.96 A):
    1 out of 7 assignments used, quality = 0.84:
      HG2   ARG   78 + QG2   VAL   77  OK    84    85 100  99  1.7-3.5   2817=57, 3.0/1729=53, 3.0/2808=38, 1.8/2786=34...(12)
      QE    MET   83 - QG2   VAL   77  far    4    73   5   -  3.3-4.3
      HG2   ARG   70 - QG2   VAL   77  far    0   100   0   -  8.2-9.8
      QD    LYS   80 - QG2   VAL   77  far    0    99   0   -  8.4-9.2
      HB2   LEU   86 - QG2   VAL   77  far    0    92   0   -  8.8-10.2
      QB    LEU   84 - QG2   VAL   77  far    0    99   0   -  8.8-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1731 from c13no.peaks (1.99, 0.88, 20.20 ppm; 3.61 A):
    0 out of 5 assignments used, quality = 0.00:
      QB    GLU   76 + QG2   VAL   77  far    7   100   8   -  3.5-4.8
      QG    PRO   75 + QG2   VAL   77  far    0    99   0   -  5.9-6.8
      QB    GLN   82 + QG2   VAL   77  far    0    99   0   -  6.4-7.6
      QB    ARG   70 + QG2   VAL   77  far    0    93   0   -  8.4-9.9
      HB3   PRO  126 + QG2   VAL  377  far    0    97   0   -  8.9-31.3
    Violated in 20 structures by 0.66 A.
 
    Peak 1732 from c13no.peaks (2.21, 0.88, 20.20 ppm; 2.82 A):
    1 out of 3 assignments used, quality = 0.90:
      HB    VAL   77 + QG2   VAL   77  OK    90    90 100 100  2.1-2.1   2.1=100
      HB2   MET   83 - QG2   VAL   77  far    0    95   0   -  5.4-6.7
      HG3   GLU   81 - QG2   VAL   77  far    0    95   0   -  9.8-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1733 from c13no.peaks (3.14, 0.88, 20.20 ppm; 3.93 A):
    0 out of 1 assignment used, quality = 0.00:
      HD3   ARG   70 + QG2   VAL   77  far    0    76   0   -  9.5-11.0
    Violated in 20 structures by 6.42 A.
 
    Peak 1734 from c13no.peaks (3.28, 0.88, 20.20 ppm; 4.20 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1735 from c13no.peaks (4.01, 0.88, 20.20 ppm; 4.93 A):
    0 out of 2 assignments used, quality = 0.00:
      HD2   PRO   75 + QG2   VAL   77  far    0    99   0   -  6.7-7.8
      HB3   SER   79 + QG2   VAL   77  far    0    97   0   -  6.9-8.1
    Violated in 20 structures by 1.58 A.
 
    Peak 1736 from c13no.peaks (4.20, 0.88, 20.20 ppm; 4.31 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    GLU   76 + QG2   VAL   77  far    0    99   0   -  4.8-5.6
    Violated in 20 structures by 0.84 A.
 
    Peak 1737 from c13no.peaks (7.79, 0.88, 20.20 ppm; 3.09 A):
    1 out of 1 assignment used, quality = 0.98:
      H     VAL   77 + QG2   VAL   77  OK    98    99 100  99  1.9-2.6   1028=72, 1016/2.1=47, 295/1027=45, 2763/2.1=42...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 1738 from c13no.peaks (8.04, 0.88, 20.20 ppm; 3.45 A):
    1 out of 2 assignments used, quality = 0.93:
      H     ARG   78 + QG2   VAL   77  OK    93    93 100 100  1.9-2.2   1027=93, 295/1737=57, 1024/2.1=51, 1026/1729=41...(13)
      H     LEU   84 - QG2   VAL   77  far    0    99   0   -  7.7-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1739 from c13no.peaks (8.36, 0.88, 20.20 ppm; 4.73 A):
    0 out of 1 assignment used, quality = 0.00:
      H     ARG   74 + QG2   VAL   77  far    0    98   0   -  6.9-8.1
    Violated in 20 structures by 2.78 A.
 
    Peak 1741 from c13no.peaks (9.83, 0.88, 20.20 ppm; 4.51 A increased from 4.24 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   76 + QG2   VAL   77  OK   100   100 100 100  3.3-4.3   294/1737=83, 296/1027=67, 1007=57, 3.6/2694=55...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1742 from c13no.peaks (0.54, -0.07, 21.49 ppm; 3.05 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + QD2   LEU   96  OK   100   100 100 100  2.0-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1743 from c13no.peaks (0.91, -0.07, 21.49 ppm; 3.05 A):
    2 out of 6 assignments used, quality = 0.99:
      QG2   ILE  100 + QD2   LEU   96  OK    94    97  98 100  1.9-3.1   3465=81, 1609/2.1=63, 3.0/3472=41, 2.1/3464=29...(21)
      HB3   LEU   96 + QD2   LEU   96  OK    83    98  85  99  2.3-3.2   3.2=90, 3.0/931=43, 3317/2.1=34, 3.8/3347=26...(16)
      QD1   LEU  118 - QD2   LEU   96  far    0    81   0   -  5.0-5.4
      QD1   LEU   93 - QD2   LEU   96  far    0    73   0   -  5.2-6.4
      QG1   VAL   88 - QD2   LEU   96  far    0   100   0   -  6.5-8.6
      QD2   LEU  118 - QD2   LEU   96  far    0   100   0   -  6.8-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1744 from c13no.peaks (1.10, -0.07, 21.49 ppm; 3.38 A):
    1 out of 2 assignments used, quality = 1.00:
      QG1   VAL  119 + QD2   LEU   96  OK   100   100 100 100  2.1-2.8   3949=100, 3951/2.1=70, 2.1/1753=64, 3952/2.1=49...(15)
      QG2   VAL   88 - QD2   LEU   96  far    0    92   0   -  8.4-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1746 from c13no.peaks (1.88, -0.07, 21.49 ppm; 3.25 A):
    1 out of 6 assignments used, quality = 0.97:
      HG    LEU   96 + QD2   LEU   96  OK    97    97 100 100  2.1-2.1   2.1=100
      QB    ALA   61 - QD2   LEU   96  far    0    98   0   -  4.5-5.5
      HB3   PRO  112 - QD2   LEU   96  far    0    73   0   -  7.3-9.2
      HB3   PRO  109 - QD2   LEU   96  far    0   100   0   -  8.5-9.5
      HB2   ARG  124 - QD2   LEU   96  far    0    95   0   -  9.8-12.4
      QB    ARG   66 - QD2   LEU   96  far    0    76   0   -  9.9-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1747 from c13no.peaks (2.06, -0.07, 21.49 ppm; 4.70 A increased from 4.17 A):
    2 out of 6 assignments used, quality = 0.99:
      HB3   PRO   58 + QD2   LEU   96  OK    92    93 100  99  4.2-4.5   232/240=72, 2140/1753=64, 2139/3949=61, 2175/167=45...(7)
      HG3   GLN  101 + QD2   LEU   96  OK    84    99  85 100  4.1-5.0   4092/2.1=79, 4093/3.2=72, 4090/3.2=67, ~3503=65...(36)
      HB3   PRO   97 - QD2   LEU   96  far    0    68   0   -  4.9-6.0
      HB2   GLN  101 - QD2   LEU   96  far    0   100   0   -  5.5-5.9
      QB    GLU   99 - QD2   LEU   96  far    0    92   0   -  6.2-7.9
      HB2   GLU  125 - QD2   LEU   96  far    0   100   0   -  9.1-14.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1748 from c13no.peaks (2.30, -0.07, 21.49 ppm; 4.44 A):
    1 out of 5 assignments used, quality = 0.72:
      HG2   PRO   97 + QD2   LEU   96  OK    72    85  85 100  3.5-5.1   2.3/1751=86, 2.3/3327=80, 3411=64, 1.8/3410=61...(19)
      QB    GLN  107 - QD2   LEU   96  far    0   100   0   -  8.3-10.0
      HB    VAL   88 - QD2   LEU   96  far    0    83   0   -  8.3-11.0
      QG    GLU  125 - QD2   LEU   96  far    0   100   0   -  8.9-13.0
      HB2   GLN   64 - QD2   LEU   96  far    0    83   0   -  9.1-10.6
    Violated in 3 structures by 0.09 A.
 
    Peak 1749 from c13no.peaks (2.79, -0.07, 21.49 ppm; 4.27 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    TYR   52 + QD2   LEU   96  OK   100   100 100 100  1.9-2.9   2.1/252=90, 2060=78, 3.9/240=59, 1713/3311=45...(11)
      HB2   ASP  120 - QD2   LEU   96  far    0    85   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1751 from c13no.peaks (3.80, -0.07, 21.49 ppm; 3.71 A):
    1 out of 8 assignments used, quality = 0.93:
      HD2   PRO   97 + QD2   LEU   96  OK    93    93 100 100  2.4-3.5   3413=66, 1.8/3327=66, 40/252=53, 3412/3.2=51...(22)
      HA    GLU   54 - QD2   LEU   96  far    0    65   0   -  5.7-6.6
      HA2   GLY   94 - QD2   LEU   96  far    0    90   0   -  5.8-6.8
      HA    LEU   62 - QD2   LEU   96  far    0    76   0   -  6.1-8.9
      HA    VAL  104 - QD2   LEU   96  far    0    99   0   -  6.9-7.6
      HD3   PRO   58 - QD2   LEU   96  far    0    97   0   -  7.1-7.7
      HA    GLU  113 - QD2   LEU   96  far    0    99   0   -  8.1-9.4
      HD3   PRO  112 - QD2   LEU   96  far    0   100   0   -  9.2-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1752 from c13no.peaks (3.55, -0.07, 21.49 ppm; 4.97 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    GLN  101 + QD2   LEU   96  OK    99    99 100 100  4.6-5.0   3500/2.1=95, 3502=82, 3509/3.2=81, 2.9/3352=63...(27)
    Violated in 0 structures by 0.00 A.
 
    Peak 1753 from c13no.peaks (-0.07, 0.98, 21.81 ppm; 3.47 A):
    1 out of 1 assignment used, quality = 0.97:
      QD2   LEU   96 + QG2   VAL  119  OK    97   100  98 100  2.2-3.5   3949/2.1=71, 2.1/1754=61, 240/238=44, ~3951=40...(14)
    Violated in 1 structures by 0.00 A.
 
    Peak 1754 from c13no.peaks (0.55, 0.98, 21.81 ppm; 3.72 A increased from 3.51 A):
    1 out of 1 assignment used, quality = 0.90:
      QD1   LEU   96 + QG2   VAL  119  OK    90    95  95 100  3.3-3.9   2.1/1753=75, 3319/2.1=74, ~3949=45, ~1744=45...(12)
    Violated in 4 structures by 0.02 A.
 
    Peak 1755 from c13no.peaks (2.27, 0.98, 21.81 ppm; 2.90 A):
    2 out of 5 assignments used, quality = 1.00:
      HB    VAL  119 + QG2   VAL  119  OK   100   100 100 100  2.1-2.1   2.1=100
      HG2   PRO   58 + QG2   VAL  119  OK    88   100  93  95  1.9-4.1   2.3/1760=33, 2.3/2140=33, 2.3/2131=32, 2.3/1758=25...(16)
      QG    GLU   54 - QG2   VAL  119  far    0   100   0   -  3.3-5.4
      HG2   PRO   97 - QG2   VAL  119  far    0    87   0   -  5.4-7.5
      HG3   GLU  114 - QG2   VAL  119  far    0   100   0   -  8.4-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1756 from c13no.peaks (3.34, 0.98, 21.81 ppm; 3.99 A):
    1 out of 1 assignment used, quality = 0.83:
      QD    ARG  123 + QG2   VAL  119  OK    83    85 100  98  2.2-3.9   4025=84, 4027/1761=42, 4040/238=30, 4042/806=29...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1757 from c13no.peaks (3.50, 0.98, 21.81 ppm; 3.40 A increased from 3.20 A):
    1 out of 1 assignment used, quality = 0.89:
      HA    VAL  119 + QG2   VAL  119  OK    89    89 100 100  2.4-3.2   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1758 from c13no.peaks (3.83, 0.98, 21.81 ppm; 4.56 A increased from 3.84 A):
    1 out of 7 assignments used, quality = 0.93:
      HD3   PRO   58 + QG2   VAL  119  OK    93    93 100 100  4.2-4.5   1.8/1760=89, 2156=84, 3.0/2140=72, 3.0/2131=71...(10)
      HA    GLU   54 - QG2   VAL  119  poor  20   100  20   -  4.3-5.8
      HD2   PRO   97 - QG2   VAL  119  far    0    97   0   -  5.1-7.0
      HD2   PRO  126 - QG2   VAL  119  far    0    99   0   -  8.1-12.6
      QA    GLY  128 - QG2   VAL  119  far    0    98   0   -  9.3-15.6
      HD3   PRO  112 - QG2   VAL  119  far    0    76   0   -  9.6-11.5
      HD3   PRO   98 - QG2   VAL  119  far    0    99   0   -  9.6-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1759 from c13no.peaks (3.91, 0.98, 21.81 ppm; 4.00 A):
    1 out of 4 assignments used, quality = 0.93:
      HA    ALA  116 + QG2   VAL  119  OK    93    93 100 100  1.9-3.9   3960/2.1=80, 3959/2.1=79, 3892/3976=46, 624/806=45...(10)
      HA    ALA  115 - QG2   VAL  119  far    0    68   0   -  4.4-6.3
      HA    LEU   89 - QG2   VAL  119  far    0    71   0   -  8.3-9.8
      HD2   PRO   98 - QG2   VAL  119  far    0    95   0   -  8.8-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1760 from c13no.peaks (4.08, 0.98, 21.81 ppm; 4.07 A):
    1 out of 4 assignments used, quality = 0.99:
      HD2   PRO   58 + QG2   VAL  119  OK    99    99 100 100  3.0-3.4   2145=70, 1.8/1758=63, 3.0/2140=60, 3.0/2131=59...(10)
      HA    LEU   96 - QG2   VAL  119  far    0    85   0   -  5.4-6.7
      HA    TYR   52 - QG2   VAL  119  far    0    90   0   -  6.3-6.9
      HA    GLU  114 - QG2   VAL  119  far    0   100   0   -  6.4-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1761 from c13no.peaks (4.58, 0.98, 21.81 ppm; 4.02 A):
    1 out of 2 assignments used, quality = 0.88:
      HA    ASP  120 + QG2   VAL  119  OK    88    89 100 100  3.0-3.2   2.9/806=66, 4027/4025=52, 3.0/1491=44, 3.0/1488=37...(13)
      HA    GLU  125 - QG2   VAL  119  far    0    98   0   -  8.4-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1762 from c13no.peaks (-0.62, -0.65, 21.81 ppm; diagonal):
    1 out of 1 assignment used, quality = 0.91:
    * QD2   LEU   73 + QD2   LEU   73  OK    91    91   - 100
 
    Peak 1763 from c13no.peaks (4.31, 1.28, 22.46 ppm; 2.81 A):
    1 out of 2 assignments used, quality = 0.81:
      HB    THR   56 + QG2   THR   56  OK    81    81 100 100  2.1-2.1   2.1=100
      HA    ALA   61 - QG2   THR   56  far    0   100   0   -  3.1-4.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1764 from c13no.peaks (3.84, 1.28, 22.46 ppm; 5.06 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    GLU   54 + QG2   THR   56  OK   100   100 100 100  4.2-4.4   821/827=73, 2183/236=62, 813/818=61, 3.6/812=58...(13)
      HD3   PRO   58 - QG2   THR   56  far    0    81   0   -  5.3-5.5
      HD2   PRO   97 - QG2   THR   56  far    0    87   0   -  8.2-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1765 from c13no.peaks (2.38, 1.28, 22.46 ppm; 3.72 A):
    1 out of 3 assignments used, quality = 0.81:
      HG3   GLU   60 + QG2   THR   56  OK    81    81 100 100  1.9-2.4   2229=72, 1.8/2231=68, 3.0/1767=60, 2105/2.1=52...(16)
      HB2   PRO   58 - QG2   THR   56  far    0    87   0   -  6.4-6.6
      HG2   GLU   67 - QG2   THR   56  far    0   100   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1766 from c13no.peaks (2.15, 1.28, 22.46 ppm; 3.54 A):
    2 out of 5 assignments used, quality = 1.00:
      QG    GLU   53 + QG2   THR   56  OK    99   100 100 100  1.9-2.4   2078=71, 2103/2.1=56, 2.5/2081=45, 2.5/2082=40...(13)
      HB2   GLU   60 + QG2   THR   56  OK    76    76 100 100  1.9-3.2   1.8/1767=73, 2236=56, 3.0/1765=51, 3.0/2231=47...(14)
      HB3   GLN   64 - QG2   THR   56  far    0    99   0   -  6.0-6.8
      QB    GLU   67 - QG2   THR   56  far    0    65   0   -  8.9-9.7
      HB2   LEU   68 - QG2   THR   56  far    0    93   0   -  9.4-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1767 from c13no.peaks (2.00, 1.28, 22.46 ppm; 3.51 A):
    1 out of 4 assignments used, quality = 0.98:
      HB3   GLU   60 + QG2   THR   56  OK    98    98 100 100  1.9-3.5   2233=72, 1.8/2236=61, 3.0/1765=50, 3.0/2231=46...(14)
      HB2   GLU   53 - QG2   THR   56  far    0    78   0   -  4.0-4.5
      QB    GLU   54 - QG2   THR   56  far    0    78   0   -  5.4-5.6
      QB    ARG  123 - QG2   THR   56  far    0    78   0   -  8.2-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1768 from c13no.peaks (1.92, 1.28, 22.46 ppm; 3.60 A):
    1 out of 2 assignments used, quality = 0.73:
      QB    ALA   61 + QG2   THR   56  OK    73    76  98  98  2.8-3.5   1600=71, 2.9/894=49, 244/248=33, 3.6/1774=25...(12)
      HB3   GLU  125 - QG2   THR   56  far    0    85   0   -  9.3-16.0
    Violated in 1 structures by 0.01 A.
 
    Peak 1769 from c13no.peaks (6.54, 1.28, 22.46 ppm; 5.06 A increased from 4.77 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   52 + QG2   THR   56  OK   100   100 100 100  3.9-4.8   236=100, 2.2/248=77, 2183/1764=60, 400/827=57...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1770 from c13no.peaks (6.86, 1.28, 22.46 ppm; 4.65 A increased from 4.38 A):
    1 out of 2 assignments used, quality = 0.99:
      HE22  GLN   64 + QG2   THR   56  OK    99    99 100 100  4.1-4.4   928=99, 1.7/919=83, 923/1765=68
      HZ    PHE   92 - QG2   THR   56  far    0    65   0   -  6.5-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1771 from c13no.peaks (7.34, 1.28, 22.46 ppm; 5.11 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1772 from c13no.peaks (7.67, 1.28, 22.46 ppm; 4.60 A increased from 3.68 A):
    1 out of 1 assignment used, quality = 0.75:
      HE21  GLN   64 + QG2   THR   56  OK    75    76 100  99  3.8-4.4   1.7/928=82, 919=76, 914/1765=53, 916/1767=41
    Violated in 0 structures by 0.00 A.
 
    Peak 1773 from c13no.peaks (7.75, 1.28, 22.46 ppm; 3.68 A):
    1 out of 3 assignments used, quality = 0.60:
      H     THR   56 + QG2   THR   56  OK    60    60 100 100  2.1-2.4   4.0=78, 3.0/704=65, 2119/2.1=61, ~110=35...(12)
      H     ALA   63 - QG2   THR   56  far    0    89   0   -  5.9-6.6
      H     HIS   51 - QG2   THR   56  far    0    83   0   -  6.4-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1774 from c13no.peaks (8.14, 1.28, 22.46 ppm; 5.50 A increased from 5.06 A):
    1 out of 3 assignments used, quality = 0.83:
      H     LEU   62 + QG2   THR   56  OK    83    90  93 100  5.0-5.6   3.6/1768=90, 173/894=83, 175/1776=60, 7.8/1767=34...(8)
      H     GLN   64 - QG2   THR   56  far    2    99   3   -  5.6-6.4
      HE1   HIS   51 - QG2   THR   56  far    0    78   0   -  5.6-6.1
    Violated in 7 structures by 0.03 A.
 
    Peak 1775 from c13no.peaks (8.44, 1.28, 22.46 ppm; 4.76 A):
    1 out of 2 assignments used, quality = 0.94:
      H     GLU   53 + QG2   THR   56  OK    94    95 100  99  2.8-3.4   2093/2078=64, 3.9/2081=60, 3.9/2082=56, 61/248=46...(10)
      H     GLU   54 - QG2   THR   56  far    7   100   8   -  4.8-5.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1776 from c13no.peaks (8.59, 1.28, 22.46 ppm; 4.48 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLU   60 + QG2   THR   56  OK    99    99 100 100  3.7-4.1   865=96, 862/1767=77, 2250/2236=66, 172/894=66...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1777 from c13no.peaks (0.28, -0.65, 21.81 ppm; 3.02 A):
    2 out of 4 assignments used, quality = 1.00:
      QD1   LEU   73 + QD2   LEU   73  OK    99    99 100 100  1.9-2.1   2.1=100
     ?HB3   LEU   73 + QD2   LEU   73  OK    32    39 100  83  1.9-3.0   1635/1782=65, 1915/2.1=18, 237/1783=12, 2997/3067=9...(8)
      HB3   ARG   44 - QD2   LEU   73  far    0    96   0   -  5.4-7.3
      QD2   LEU   62 - QD2   LEU   73  far    0   100   0   -  8.0-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1780 from c13no.peaks (0.98, -0.65, 21.81 ppm; 3.38 A):
    2 out of 4 assignments used, quality = 1.00:
     ?HB3   LEU   73 + QD2   LEU   73  OK   100   100 100 100  1.9-3.0   1919/2.1=91, 1894=78, 1896/2.1=74, 1911/3.1=67...(13)
      QD2   LEU   87 + QD2   LEU   73  OK    87    87 100 100  2.1-3.1   3134=87, 2.1/3133=57, 3110/2.1=51, ~3115=40...(17)
      QD2   LEU   68 - QD2   LEU   73  far    0    91   0   -  7.4-9.0
      HG    LEU   65 - QD2   LEU   73  far    0    99   0   -  9.2-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1781 from c13no.peaks (1.30, -0.65, 21.81 ppm; 3.78 A):
    1 out of 2 assignments used, quality = 0.26:
     ?HB3   LEU   73 + QD2   LEU   73  OK    26    87 100  30  1.9-3.0   998/1001=10, 853/2.1=9, 3169/3067=7, 1920/2.1=5
      HG3   GLN   91 - QD2   LEU   73  far    0    77   0   -  7.3-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1782 from c13no.peaks (1.77, -0.65, 21.81 ppm; 3.35 A):
    1 out of 9 assignments used, quality = 0.97:
      QE    MET   83 + QD2   LEU   73  OK    97   100  98 100  1.9-3.1   2937=71, 1635/3.1=53, 1921/2.1=37, 1912/2.1=37...(19)
      HB2   LEU   86 - QD2   LEU   73  far    0    98   0   -  3.6-5.2
      QB    LEU   84 - QD2   LEU   73  far    0    87   0   -  4.6-5.5
      HG2   ARG   70 - QD2   LEU   73  far    0    62   0   -  6.1-7.4
      HG2   ARG   78 - QD2   LEU   73  far    0    99   0   -  6.4-8.0
      HB3   ARG   74 - QD2   LEU   73  far    0    70   0   -  7.1-7.5
      QB    ARG   48 - QD2   LEU   73  far    0    96   0   -  8.0-9.1
      HB3   GLU   41 - QD2   LEU   73  far    0    75   0   -  9.4-10.6
      HB2   LEU   45 - QD2   LEU   73  far    0    87   0   - 10.0-11.0
    Violated in 1 structures by 0.01 A.
 
    Peak 1783 from c13no.peaks (3.23, -0.65, 21.81 ppm; 3.36 A):
    1 out of 2 assignments used, quality = 0.90:
      HA    LEU   73 + QD2   LEU   73  OK    90   100  90 100  2.6-3.8   238=92, 1922/2.1=50, 3.0/1781=46, 3.0/1789=39...(31)
      HD2   ARG   70 - QD2   LEU   73  far    0    99   0   -  6.8-8.8
    Violated in 2 structures by 0.05 A.
 
    Peak 1784 from c13no.peaks (3.68, -0.65, 21.81 ppm; 4.21 A increased from 3.96 A):
    1 out of 2 assignments used, quality = 0.87:
      HA    MET   83 + QD2   LEU   73  OK    87    92  95 100  3.4-4.2   2973=91, 3.0/2964=53, 3.0/2970=47, 2972/2.1=47...(17)
      HD3   PRO   40 - QD2   LEU   73  far    0    79   0   -  9.6-10.5
    Violated in 4 structures by 0.04 A.
 
    Peak 1785 from c13no.peaks (4.21, -0.65, 21.81 ppm; 5.50 A increased from 5.23 A):
    0 out of 3 assignments used, quality = 0.00:
      HA    LEU   86 + QD2   LEU   73  far    0    89   0   -  5.9-6.4
      HA    GLU   67 + QD2   LEU   73  far    0    99   0   -  7.4-9.5
      HA    GLU   76 + QD2   LEU   73  far    0    93   0   -  8.4-9.4
    Violated in 20 structures by 0.55 A.
 
    Peak 1786 from c13no.peaks (7.17, -0.65, 21.81 ppm; 4.11 A):
    0 out of 3 assignments used, quality = 0.00:
      H     LEU   86 + QD2   LEU   73  far    0    72   0   -  4.4-5.2
      HD1   TRP   72 + QD2   LEU   73  far    0    96   0   -  5.0-5.6
      HZ    PHE   47 + QD2   LEU   73  far    0    92   0   -  5.1-6.6
    Violated in 20 structures by 0.43 A.
 
    Peak 1787 from c13no.peaks (7.37, -0.65, 21.81 ppm; 4.35 A):
    2 out of 5 assignments used, quality = 1.00:
      HZ2   TRP   72 + QD2   LEU   73  OK    99    99 100 100  3.1-3.7   198=99, 2.5/207=74, 192/3134=65, 2.8/262=52...(13)
      HH2   TRP   72 + QD2   LEU   73  OK    64    64 100 100  2.8-3.4   2.5/198=76, 2.4/218=70, 207=65, 204/3134=49...(16)
      H     TRP   72 - QD2   LEU   73  far    0    70   0   -  4.5-6.0
      QE    PHE   47 - QD2   LEU   73  far    0   100   0   -  4.8-5.9
      H     GLU   67 - QD2   LEU   73  far    0    87   0   -  7.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1788 from c13no.peaks (7.57, -0.65, 21.81 ppm; 4.75 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   87 + QD2   LEU   73  OK   100   100 100 100  3.6-4.5   1102=100, 1106/3134=77, 1104/3133=74, 1103/2.1=74...(7)
      H     ARG   46 - QD2   LEU   73  far    0    67   0   -  9.4-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1789 from c13no.peaks (8.00, -0.65, 21.81 ppm; 4.18 A increased from 3.93 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   73 + QD2   LEU   73  OK    99    99 100 100  2.9-4.0   106=96, 1928/2.1=84, 3.0/1783=76, 1936/2.1=72...(24)
      H     ARG   78 - QD2   LEU   73  far    0    59   0   -  6.2-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1790 from c13no.peaks (8.35, -0.65, 21.81 ppm; 5.13 A):
    1 out of 2 assignments used, quality = 0.94:
      H     ARG   74 + QD2   LEU   73  OK    94    99  95 100  4.1-5.0   1001=100, 997/3.1=93, 3.6/1783=87, 996/1782=86...(13)
      H     ARG   48 - QD2   LEU   73  far    0    87   0   -  7.9-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1791 from c13no.peaks (10.33, -0.65, 21.81 ppm; 5.10 A):
    1 out of 1 assignment used, quality = 0.98:
      HE1   TRP   72 + QD2   LEU   73  OK    98    98 100 100  4.3-4.5   262=99, 2.8/198=88, 5.0/207=58, 5.3/211=47...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1792 from c13no.peaks (7.88, 1.44, 18.36 ppm; 2.70 A):
    2 out of 3 assignments used, quality = 0.96:
      H     ALA   42 + QB    ALA   42  OK    93   100 100  93  2.0-2.2   700=87, 4.7/698=15, 4.6/727=14, 701/5.6=11...(7)
      H     ALA   43 + QB    ALA   42  OK    39    78  70  70  2.3-2.9   3.6=43, 4.7/700=18, 1654/4.6=15, 129/5.0=9...(6)
      HE21  GLN   71 - QB    ALA   42  far    0    89   0   -  7.7-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1793 from c13no.peaks (8.51, 1.44, 18.36 ppm; 4.77 A increased from 4.01 A):
    1 out of 3 assignments used, quality = 0.61:
      H     GLN  101 + QB    ALA  102  OK    61    61 100 100  4.4-4.6   457/2.9=84, 5.8=56, 469/3448=50, 3531/5.8=43...(15)
      H     GLY  127 - QB    ALA  102  far    0    52   0   -  8.6-20.2
      H     LEU   68 - QB    ALA   42  far    0   100   0   -  9.8-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1794 from c13no.peaks (7.37, 1.45, 18.62 ppm; 3.23 A):
    1 out of 5 assignments used, quality = 0.97:
      H     ARG  103 + QB    ALA  102  OK    97    97 100 100  2.6-2.9   242=97, 230/2.9=52, 3.0/3558=41, 495/1218=20...(15)
      H     ILE  100 - QB    ALA  102  far    0   100   0   -  4.5-5.0
      H     TRP   72 - QB    ALA   42  far    0    47   0   -  7.2-8.5
      HZ2   TRP   72 - QB    ALA   42  far    0    67   0   -  9.7-10.5
      QE    PHE   47 - QB    ALA   42  far    0    67   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1795 from c13no.peaks (8.09, 1.45, 18.62 ppm; 2.95 A):
    1 out of 3 assignments used, quality = 0.99:
      H     ALA  102 + QB    ALA  102  OK    99    99 100 100  2.0-2.2   2.9=100
      H     LEU   45 - QB    ALA   42  far    0    47   0   -  4.6-5.3
      H     GLY  106 - QB    ALA  102  far    0    76   0   -  5.2-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1796 from c13no.peaks (2.38, 1.45, 18.62 ppm; 4.98 A increased from 4.20 A):
    2 out of 4 assignments used, quality = 0.94:
      QG    GLN  105 + QB    ALA  102  OK    78    78 100 100  3.8-5.0   4095/2.1=93, ~1587=74, 2.3/1223=57, ~496=55...(10)
      HB2   PRO   98 + QB    ALA  102  OK    71    81 100  88  4.5-4.8   2.3/3448=77, ~3437=47
      HG2   GLN  101 - QB    ALA  102  far    0   100   0   -  6.1-6.2
      HG2   GLU   67 - QB    ALA   42  far    0    66   0   -  9.9-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1797 from c13no.peaks (3.25, 1.44, 18.36 ppm; 4.40 A):
    1 out of 9 assignments used, quality = 0.80:
      QD    ARG   46 + QB    ALA   42  OK    80    99 100  81  2.8-4.1   694/3.6=42, 1580/2.1=33, 712/5.9=25, 1580/4.9=23
      QD    ARG  103 - QB    ALA  102  far    0    66   0   -  4.6-5.3
      QD    ARG  103 - QB    ALA  342  far    0   100   0   -  6.0-05.6
      QD    ARG  124 - QB    ALA  102  far    0    38   0   -  7.0-14.9
      HD3   PRO   97 - QB    ALA  102  far    0    61   0   -  7.2-7.5
      HB2   PHE   47 - QB    ALA   42  far    0    68   0   -  7.6-8.6
      HD2   ARG  108 - QB    ALA  102  far    0    42   0   -  8.6-9.7
      HA    LEU   73 - QB    ALA   42  far    0    96   0   -  9.3-10.2
      HD2   ARG   70 - QB    ALA   42  far    0    85   0   -  9.4-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1799 from c13no.peaks (1.53, 2.61, 42.84 ppm; 4.99 A):
    1 out of 4 assignments used, quality = 0.63:
      HB2   ARG   44 + HD3   ARG   44  OK    63    63 100 100  2.2-3.5   3.9=100
      QB    ALA  117 - HD3   ARG  344  far    0    99   0   -  6.2-32.5
      HB3   LEU   68 - HD3   ARG   44  far    0    92   0   -  8.9-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1800 from c13no.peaks (0.62, 2.61, 42.84 ppm; 4.87 A):
    1 out of 3 assignments used, quality = 0.95:
      HG2   ARG   44 + HD3   ARG   44  OK    95    95 100 100  2.4-3.0   3.0=100
      QD2   LEU   65 - HD3   ARG   44  far    0    85   0   -  8.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1801 from c13no.peaks (0.28, 2.61, 42.84 ppm; 5.07 A):
    1 out of 3 assignments used, quality = 0.92:
      HB3   ARG   44 + HD3   ARG   44  OK    92    92 100 100  2.6-4.1   3.9=100
      QD1   LEU   73 - HD3   ARG   44  far    0   100   0   -  5.8-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1802 from c13no.peaks (-0.75, 2.61, 42.84 ppm; 4.90 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   ARG   44 + HD3   ARG   44  OK   100   100 100 100  2.2-2.7   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1803 from c13no.peaks (3.19, 2.61, 42.84 ppm; 4.27 A):
    1 out of 2 assignments used, quality = 0.97:
      HD2   ARG   44 + HD3   ARG   44  OK    97    97 100 100  1.8-1.8   1.8=100
      QD    ARG   74 - HD3   ARG   44  far    0   100   0   -  8.0-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1804 from c13no.peaks (2.62, 3.18, 42.84 ppm; 4.27 A):
    1 out of 2 assignments used, quality = 0.99:
      HD3   ARG   44 + HD2   ARG   44  OK    99    99 100 100  1.8-1.8   1.8=100
      HB2   CYS   69 - HD2   ARG   44  far    0    92   0   -  8.0-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1805 from c13no.peaks (1.53, 3.18, 42.84 ppm; 4.09 A):
    1 out of 4 assignments used, quality = 0.71:
      HB2   ARG   44 + HD2   ARG   44  OK    71    71 100 100  2.0-3.6   3.9=100
      QB    ALA  117 - HD2   ARG  344  far    0   100   0   -  4.9-33.4
      HB3   LEU   68 - HD2   ARG   44  far    0    96   0   -  9.5-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1806 from c13no.peaks (0.30, 1.50, 29.57 ppm; 4.70 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   ARG   44 + HB2   ARG   44  OK   100   100 100 100  1.8-1.8   1.8=100
      QD1   LEU   73 - HB2   ARG   44  far    0    87   0   -  5.7-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1807 from c13no.peaks (2.74, 1.50, 29.57 ppm; 5.00 A):
    2 out of 4 assignments used, quality = 1.00:
      HA    ARG   44 + HB2   ARG   44  OK   100   100 100 100  2.5-3.0   3.0=100
      HB3   TRP   72 + HB2   ARG   44  OK    55    68  88  93  3.7-5.3   1629/5.8=47, 5.2/256=36, 2643/4.0=34, 695/7.0=31...(7)
      QB    PRO   40 - HB2   ARG   44  poor  17   100  33  53  4.6-6.7   251/256=38, 1812/1.8=24
      HB3   ASP  120 - HB2   ARG  344  far    0    87   0   -  9.8-55.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1808 from c13no.peaks (3.19, 1.50, 29.57 ppm; 5.09 A):
    1 out of 2 assignments used, quality = 0.98:
      HD2   ARG   44 + HB2   ARG   44  OK    98    98 100 100  2.0-3.6   3.9=100
      QD    ARG   74 - HB2   ARG   44  far    0   100   0   -  7.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1809 from c13no.peaks (3.03, 2.73, 60.63 ppm; 5.05 A):
    1 out of 1 assignment used, quality = 0.99:
      HB3   PHE   47 + HA    ARG   44  OK    99   100 100  99  2.2-3.0   1.8/1810=88, 4.0/1846=54, 743/745=48, 662/663=41...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1810 from c13no.peaks (3.28, 2.73, 60.63 ppm; 4.70 A):
    1 out of 3 assignments used, quality = 0.96:
      HB2   PHE   47 + HA    ARG   44  OK    96    99 100  96  3.5-4.6   1.8/1809=71, 674/1846=49, 742/745=44, 4.4/1843=32...(6)
      QD    ARG   46 - HA    ARG   44  far    0    71   0   -  6.0-6.9
      HB2   PHE   50 - HA    ARG   44  far    0    83   0   -  7.8-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1811 from c13no.peaks (1.50, 0.29, 29.57 ppm; 4.61 A):
    1 out of 4 assignments used, quality = 1.00:
      HB2   ARG   44 + HB3   ARG   44  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   LEU   68 - HB3   ARG   44  far    0    89   0   -  7.3-9.3
      QB    ALA  117 - HB3   ARG  344  far    0    73   0   -  8.2-31.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1812 from c13no.peaks (2.74, 0.29, 29.57 ppm; 4.88 A):
    3 out of 3 assignments used, quality = 1.00:
      HA    ARG   44 + HB3   ARG   44  OK   100   100 100 100  2.3-2.7   3.0=100
      HB3   TRP   72 + HB3   ARG   44  OK    67    68 100  99  2.5-3.7   3.8/226=66, 1629/1825=55, 5.2/261=44, 2643/4.0=32...(10)
      QB    PRO   40 + HB3   ARG   44  OK    67   100  85  79  3.9-5.4   1567/226=56, 251/261=47, 1807/1.8=8
    Violated in 0 structures by 0.00 A.
 
    Peak 1813 from c13no.peaks (2.62, 0.29, 29.57 ppm; 5.49 A):
    1 out of 2 assignments used, quality = 0.99:
      HD3   ARG   44 + HB3   ARG   44  OK    99    99 100 100  2.6-4.1   3.9=100
      HB2   CYS   69 - HB3   ARG   44  far    2    92   3   -  5.4-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1815 from c13no.peaks (-0.76, 0.29, 29.57 ppm; 5.46 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   ARG   44 + HB3   ARG   44  OK   100   100 100 100  2.2-2.7   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1816 from c13no.peaks (0.60, 3.18, 42.84 ppm; 5.01 A):
    1 out of 3 assignments used, quality = 1.00:
      HG2   ARG   44 + HD2   ARG   44  OK   100   100 100 100  2.2-2.8   3.0=100
      QD2   LEU   65 - HD2   ARG   44  far    0    99   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1817 from c13no.peaks (-0.74, 3.18, 42.84 ppm; 5.08 A):
    1 out of 1 assignment used, quality = 0.99:
      HG3   ARG   44 + HD2   ARG   44  OK    99    99 100 100  2.4-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1818 from c13no.peaks (1.75, 3.18, 42.84 ppm; 4.15 A):
    0 out of 3 assignments used, quality = 0.00:
      HB2   LEU   45 + HD2   ARG   44  far   10    97  10   -  3.4-5.4
      QE    MET   83 + HD2   ARG   44  far    0    63   0   -  9.7-11.2
    Violated in 20 structures by 1.02 A.
 
    Peak 1819 from c13no.peaks (1.98, 3.18, 42.84 ppm; 4.44 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ARG  123 + HD2   ARG  344  far    0   100   0   -  8.6-36.8
    Violated in 20 structures by 89.74 A.
 
    Peak 1820 from c13no.peaks (2.24, 2.61, 42.84 ppm; 5.17 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1821 from c13no.peaks (0.30, -0.75, 26.01 ppm; 5.50 A):
    2 out of 3 assignments used, quality = 0.98:
      HB3   ARG   44 + HG3   ARG   44  OK    97    97 100 100  2.2-2.7   2.9=100
      QD1   LEU   73 + HG3   ARG   44  OK    27    73  80  47  4.5-6.9   195/199=38, 7.0/1827=13
     ?HB3   LEU   73 - HG3   ARG   44  far    1    43   3   -  5.4-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1822 from c13no.peaks (0.61, -0.75, 26.01 ppm; 4.44 A):
    1 out of 3 assignments used, quality = 0.99:
      HG2   ARG   44 + HG3   ARG   44  OK    99    99 100 100  1.8-1.8   1.8=100
      QD2   LEU   65 - HG3   ARG   44  far    0    95   0   -  8.0-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1823 from c13no.peaks (1.50, -0.75, 26.01 ppm; 5.23 A):
    1 out of 4 assignments used, quality = 1.00:
      HB2   ARG   44 + HG3   ARG   44  OK   100   100 100 100  2.5-3.0   2.9=100
      QB    ALA  117 - HG3   ARG  344  far    0    73   0   -  6.7-33.6
      HB3   LEU   68 - HG3   ARG   44  far    0    89   0   -  7.5-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1824 from c13no.peaks (1.59, -0.75, 26.01 ppm; 5.50 A increased from 5.22 A):
    0 out of 5 assignments used, quality = 0.00:
      QB    ALA   43 - HG3   ARG   44  poor  17    85  20   -  4.4-6.0
      QG    ARG   48 - HG3   ARG   44  lone   3    63  65   8  3.4-7.7   748/6.9=7
      HG    LEU   45 - HG3   ARG   44  far    2    71   3   -  4.8-8.2
     ?HB3   LEU   73 - HG3   ARG   44  far    1    50   3   -  5.4-8.5
      QG    ARG   74 - HG3   ARG   44  far    0   100   0   -  7.5-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1825 from c13no.peaks (1.60, 0.29, 29.57 ppm; 5.01 A):
    1 out of 5 assignments used, quality = 0.97:
      QB    ALA   43 + HB3   ARG   44  OK    97    99 100  98  4.1-4.4   716/4.0=78, 5.8=65, 1654/7.0=36, 1653/7.9=23...(8)
      QG    ARG   48 - HB3   ARG   44  far    9    90  10   -  4.7-8.4
      HG    LEU   45 - HB3   ARG   44  far    0    95   0   -  5.2-7.6
      QG    ARG   74 - HB3   ARG   44  far    0    90   0   -  7.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1826 from c13no.peaks (2.62, -0.75, 26.01 ppm; 5.17 A):
    1 out of 3 assignments used, quality = 0.99:
      HD3   ARG   44 + HG3   ARG   44  OK    99    99 100 100  2.2-2.7   3.0=100
      HB2   CYS   69 - HG3   ARG   44  far    7    92   8   -  5.1-9.9
      HB3   PHE   50 - HG3   ARG   44  far    0   100   0   -  9.8-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1827 from c13no.peaks (2.74, -0.75, 26.01 ppm; 4.87 A):
    2 out of 4 assignments used, quality = 1.00:
      HA    ARG   44 + HG3   ARG   44  OK   100   100 100 100  2.1-4.0   3.9=100
      HB3   TRP   72 + HG3   ARG   44  OK    50    68  80  92  3.7-5.5   1629/6.2=40, 5.2/263=39, 6.5/199=34, 2643/4.8=28...(8)
      QB    PRO   40 - HG3   ARG   44  far   12   100  13   -  4.4-7.1
      HB3   ASP  120 - HG3   ARG  344  far    0    87   0   -  9.1-57.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1828 from c13no.peaks (3.19, -0.75, 26.01 ppm; 5.07 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   ARG   44 + HG3   ARG   44  OK   100   100 100 100  2.4-3.0   3.0=100
      QD    ARG   74 - HG3   ARG   44  far    0    98   0   -  7.4-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1829 from c13no.peaks (-0.75, 0.60, 26.01 ppm; 4.64 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   ARG   44 + HG2   ARG   44  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1830 from c13no.peaks (2.74, 0.60, 26.01 ppm; 4.81 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    ARG   44 + HG2   ARG   44  OK   100   100 100 100  2.6-3.5   3.9=100
      HB3   TRP   72 - HG2   ARG   44  far   12    68  18   -  3.8-5.9
      QB    PRO   40 - HG2   ARG   44  far    5   100   5   -  4.5-7.4
      HB3   ASP  120 - HG2   ARG  344  far    0    87   0   -  9.4-57.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1831 from c13no.peaks (2.61, 0.60, 26.01 ppm; 4.10 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   ARG   44 + HG2   ARG   44  OK   100   100 100 100  2.4-3.0   3.0=100
      HB2   CYS   69 - HG2   ARG   44  far    0    98   0   -  6.1-10.2
      HB3   PHE   50 - HG2   ARG   44  far    0   100   0   -  9.3-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1832 from c13no.peaks (7.20, 2.61, 42.84 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 0.54:
      HD1   TRP   72 + HD3   ARG   44  OK    54    68  80 100  4.4-5.7   2.6/1836=76, 648/2.9=64, 5.0/186=61, 226/3.9=54...(8)
      HZ    PHE   47 - HD3   ARG   44  far    0    76   0   -  7.4-9.9
    Violated in 5 structures by 0.05 A.
 
    Peak 1833 from c13no.peaks (7.38, 2.61, 42.84 ppm; 4.89 A):
    2 out of 3 assignments used, quality = 0.90:
      HZ2   TRP   72 + HD3   ARG   44  OK    87    87 100 100  2.5-4.4   186=87, 199/3.0=66, 2.8/1836=59, 1838/1.8=49...(8)
      HH2   TRP   72 + HD3   ARG   44  OK    22    92  25  97  4.1-5.6   2.5/186=79, ~199=46, 5.0/1836=41, ~1838=34...(6)
      QE    PHE   47 - HD3   ARG   44  far    0    93   0   -  5.0-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1834 from c13no.peaks (8.45, 2.61, 42.84 ppm; 5.36 A):
    1 out of 1 assignment used, quality = 0.64:
      H     ARG   44 + HD3   ARG   44  OK    64    71  90 100  4.5-5.3   715/3.9=81, 2.9/1149=79, 6.1=67, 708/3.9=56...(12)
    Violated in 4 structures by 0.06 A.
 
    Peak 1835 from c13no.peaks (8.63, 2.61, 42.84 ppm; 4.82 A):
    1 out of 1 assignment used, quality = 1.00:
      HE    ARG   44 + HD3   ARG   44  OK   100   100 100 100  2.3-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1836 from c13no.peaks (10.34, 2.61, 42.84 ppm; 5.41 A):
    1 out of 1 assignment used, quality = 0.97:
      HE1   TRP   72 + HD3   ARG   44  OK    97    97 100 100  2.5-4.6   2.8/186=85, 253=76, 2.6/1832=72, 261/3.9=67...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1837 from c13no.peaks (7.25, 3.18, 42.84 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.31:
      QD    PHE   47 + HD2   ARG   44  OK    31    99  78  41  4.6-5.7   103/8.0=28, 303/3.0=18
    Violated in 20 structures by 0.07 A.
 
    Peak 1838 from c13no.peaks (7.38, 3.18, 42.84 ppm; 5.43 A increased from 5.11 A):
    2 out of 3 assignments used, quality = 0.79:
      HZ2   TRP   72 + HD2   ARG   44  OK    71    87  83 100  3.3-5.8   186/1.8=84, 199/3.0=75, ~253=62, ~1836=55...(7)
      HH2   TRP   72 + HD2   ARG   44  OK    26    92  30  95  4.4-6.5   ~186=69, ~199=57, ~1833=51, 1833/1.8=19
      QE    PHE   47 - HD2   ARG   44  far    0    93   0   -  6.0-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1839 from c13no.peaks (8.65, 3.18, 42.84 ppm; 5.31 A):
    1 out of 1 assignment used, quality = 0.93:
      HE    ARG   44 + HD2   ARG   44  OK    93    93 100 100  2.3-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1840 from c13no.peaks (8.12, 1.50, 29.57 ppm; 4.95 A):
    1 out of 1 assignment used, quality = 0.93:
      H     LEU   45 + HB2   ARG   44  OK    93    93 100 100  2.2-3.7   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1841 from c13no.peaks (8.43, 1.50, 29.57 ppm; 4.74 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG   44 + HB2   ARG   44  OK    99    99 100 100  2.2-3.6   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1842 from c13no.peaks (7.20, 2.73, 60.63 ppm; 5.50 A increased from 5.19 A):
    1 out of 2 assignments used, quality = 0.65:
      HD1   TRP   72 + HA    ARG   44  OK    65    87  75 100  4.6-5.8   226/3.0=78, 647/2.9=68, ~261=52, 1832/1149=51...(8)
      HZ    PHE   47 - HA    ARG   44  far    0    92   0   -  6.2-7.4
    Violated in 14 structures by 0.05 A.
 
    Peak 1843 from c13no.peaks (7.36, 2.73, 60.63 ppm; 5.50 A increased from 5.23 A):
    2 out of 4 assignments used, quality = 0.93:
      QE    PHE   47 + HA    ARG   44  OK    91    97  98  96  4.1-5.5   4.4/1810=66, 4.4/1809=62, 6.5/1846=40, 6.7/745=36
      H     TRP   72 + HA    ARG   44  OK    25    95  30  86  5.3-6.3   1652/4.5=72, 5.9/1842=44, 229/230=13
      HZ2   TRP   72 - HA    ARG   44  far    5    99   5   -  5.5-6.2
      H     GLU   67 - HA    ARG   44  far    0    60   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1844 from c13no.peaks (8.12, 2.73, 60.63 ppm; 5.07 A):
    1 out of 1 assignment used, quality = 0.93:
      H     LEU   45 + HA    ARG   44  OK    93    93 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1845 from c13no.peaks (8.44, 2.73, 60.63 ppm; 4.51 A):
    1 out of 1 assignment used, quality = 0.89:
      H     ARG   44 + HA    ARG   44  OK    89    89 100 100  2.8-2.8   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1846 from c13no.peaks (7.65, 2.73, 60.63 ppm; 5.32 A):
    1 out of 1 assignment used, quality = 1.00:
      H     PHE   47 + HA    ARG   44  OK   100   100 100 100  3.2-3.9   676=76, 674/1810=71, 397/663=69, 4.0/1809=63...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1847 from c13no.peaks (7.54, 2.73, 60.63 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG   46 + HA    ARG   44  OK    99    99 100 100  4.1-4.8   663=99, 126/3.6=92, 127/2.9=87, 397/1846=64...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1848 from c13no.peaks (8.11, 0.29, 29.57 ppm; 5.41 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   45 + HB3   ARG   44  OK   100   100 100 100  3.3-4.1   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1849 from c13no.peaks (8.43, 0.29, 29.57 ppm; 4.92 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   44 + HB3   ARG   44  OK   100   100 100 100  2.1-2.7   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1850 from c13no.peaks (8.11, 0.60, 26.01 ppm; 5.15 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   45 + HG2   ARG   44  OK   100   100 100 100  1.9-5.0   5.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1852 from c13no.peaks (6.92, 3.78, 58.45 ppm; 4.76 A):
    1 out of 7 assignments used, quality = 1.00:
      QD    PHE   92 + HA    LEU   62  OK   100   100 100 100  2.8-4.4   147/147=75, 186/3.0=68, 2395/2368=63, 107=50...(10)
      HZ    PHE   92 - HA    LEU   62  far    0    63   0   -  5.7-7.5
      H     PHE   50 - HA    LEU   45  far    0    52   0   -  6.6-7.3
      HE22  GLN   59 - HA    LEU   62  far    0    99   0   -  8.1-9.1
      HE22  GLN  107 - HA    LEU  345  far    0    62   0   -  8.4-52.8
      H     LEU   96 - HA    LEU   62  far    0    92   0   -  8.8-11.7
      H     PHE   50 - HA    LEU   62  far    0    71   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1853 from c13no.peaks (7.36, 3.23, 57.48 ppm; 5.48 A):
    2 out of 3 assignments used, quality = 1.00:
      H     TRP   72 + HA    LEU   73  OK    96    96 100 100  4.8-5.1   234/3.0=85, 291/3.6=78, 315/3.0=74, 6.3=64...(12)
      HZ2   TRP   72 + HA    LEU   73  OK    90    99  95  95  4.6-5.2   198/1783=87, 195/4.0=43, 1935/4.3=36
      QE    PHE   47 - HA    LEU   73  far    0    97   0   -  8.0-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1854 from c13no.peaks (7.99, 3.23, 57.48 ppm; 4.26 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   73 + HA    LEU   73  OK   100   100 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1855 from c13no.peaks (8.36, 3.23, 57.48 ppm; 4.93 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG   74 + HA    LEU   73  OK    99    99 100 100  2.9-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1856 from c13no.peaks (7.86, 4.19, 57.59 ppm; 3.65 A):
    1 out of 3 assignments used, quality = 0.73:
      H     LEU  118 + HA    LEU  118  OK    73    73 100 100  2.8-2.8   2.9=100
      H     GLU  114 - HA    LEU  118  far    0    63   0   -  9.2-9.5
      H     ALA   42 - HA    LEU  418  far    0    87   0   -  9.5-49.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1857 from c13no.peaks (7.94, 4.19, 57.59 ppm; 4.02 A):
    1 out of 5 assignments used, quality = 0.76:
      H     GLY  121 + HA    LEU  118  OK    76    78 100  97  3.2-3.4   619=77, 3909/3.0=38, 3907/3.0=36, 1320/4.6=26...(9)
      H     GLY  128 - HA    LEU  118  far    0   100   0   -  6.9-20.4
      H     ALA  115 - HA    LEU  118  far    0   100   0   -  7.8-7.9
      H     VAL  104 - HA    LEU  118  far    0    78   0   -  7.8-8.5
      H     GLU   41 - HA    LEU  418  far    0    85   0   -  9.9-50.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1858 from c13no.peaks (6.44, 3.97, 57.62 ppm; 5.42 A):
    1 out of 1 assignment used, quality = 0.99:
      HE22  GLN   91 + HA    GLN   91  OK    99   100 100  99  2.2-3.9   1.7/415=90, 5.7=85, 446/1860=52, 7.0/427=21
    Violated in 0 structures by 0.00 A.
 
    Peak 1859 from c13no.peaks (6.69, 3.97, 57.62 ppm; 5.15 A):
    1 out of 2 assignments used, quality = 0.78:
      HE21  GLN   91 + HA    GLN   91  OK    78    81 100  97  2.1-4.0   415=81, 1.7/1858=75, 447/1860=22, 7.0/427=19
      HE22  GLN  101 - HA    GLN   91  far    0    83   0   -  7.4-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1860 from c13no.peaks (7.62, 3.97, 57.62 ppm; 5.16 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA   95 + HA    GLN   91  OK   100   100 100 100  3.7-4.1   431/435=83, 450/3220=80, 426/3.6=64, 3241/5.4=49...(9)
      HE21  GLN  101 - HA    GLN   91  far    0   100   0   -  7.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1861 from c13no.peaks (7.78, 3.97, 57.62 ppm; 4.24 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLY   94 + HA    GLN   91  OK   100   100 100 100  3.6-3.9   435=98, 3.0/3220=66, 430/3.6=48, 431/1860=44...(9)
      H     GLU   90 - HA    GLN   91  far    0    63   0   -  5.1-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1862 from c13no.peaks (7.93, 3.97, 57.62 ppm; 4.31 A):
    1 out of 1 assignment used, quality = 0.93:
      H     GLN   91 + HA    GLN   91  OK    93    93 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1863 from c13no.peaks (8.12, 3.97, 57.62 ppm; 5.27 A):
    1 out of 1 assignment used, quality = 0.92:
      H     LEU   93 + HA    GLN   91  OK    92    92 100 100  4.6-5.0   421/3.6=78, 438/435=75, 439/1860=51, 5.9/3220=50...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1864 from c13no.peaks (6.93, 3.75, 57.75 ppm; 4.44 A):
    2 out of 2 assignments used, quality = 1.00:
      H     LEU   96 + HA    LEU   93  OK    99   100 100  99  3.2-4.4   1188/3332=65, 1185/3330=60, 432/3.6=57, 3347/3260=45...(9)
      QD    PHE   92 + HA    LEU   93  OK    93    93 100 100  2.8-3.6   3289/881=68, 440/3.0=66, 148/3332=63, 3296/877=47...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1865 from c13no.peaks (7.62, 3.75, 57.75 ppm; 5.14 A):
    2 out of 2 assignments used, quality = 1.00:
      H     ALA   95 + HA    LEU   93  OK   100   100 100 100  3.8-4.3   431/3.6=89, 439/3.0=80, 2.9/3274=64, 450/5.3=62...(16)
      HE21  GLN  101 + HA    LEU   93  OK    99   100 100  99  3.0-4.2   1199/2.9=72, 1201/3332=68, 3291/881=49, 1202/3260=46...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1866 from c13no.peaks (7.76, 3.75, 57.75 ppm; 4.95 A):
    1 out of 3 assignments used, quality = 0.96:
      H     GLY   94 + HA    LEU   93  OK    96    96 100 100  3.5-3.6   3.6=100
      H     GLU   90 - HA    LEU   93  far    0    90   0   -  7.3-7.6
      H     ALA  117 - HA    LEU   93  far    0   100   0   -  9.0-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1867 from c13no.peaks (8.13, 3.75, 57.75 ppm; 4.05 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   93 + HA    LEU   93  OK   100   100 100 100  2.8-2.9   3.0=100
      H     LEU   62 - HA    LEU   93  far    0    96   0   -  9.3-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1868 from c13no.peaks (4.03, 1.39, 42.19 ppm; 4.22 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    ALA   43 + HB3   LEU   45  far    0    78   0   -  6.1-7.5
    Violated in 20 structures by 2.67 A.
 
    Peak 1869 from c13no.peaks (7.56, 1.39, 42.19 ppm; 4.40 A):
    1 out of 1 assignment used, quality = 0.93:
      H     ARG   46 + HB3   LEU   45  OK    93    93 100 100  2.8-4.2   4.6=90, 665/1.8=84, 125/1870=63, 1952/1939=58...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 1870 from c13no.peaks (8.12, 1.39, 42.19 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   45 + HB3   LEU   45  OK    99    99 100 100  3.4-3.6   4.0=87, 685/1.8=86, 686/3.0=65, 688/3.1=57...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1871 from c13no.peaks (8.12, 1.76, 42.19 ppm; 3.37 A):
    2 out of 4 assignments used, quality = 1.00:
      H     LEU   62 + HB2   LEU   62  OK    99    99 100 100  2.2-2.5   883=99, 885/1.8=62, 884/3.0=56, 176/899=48...(16)
      H     LEU   45 + HB2   LEU   45  OK    93    93 100 100  2.1-2.3   685=91, 687/1.8=57, 686/3.0=48, 688/3.1=41...(13)
      H     GLN   64 - HB2   LEU   62  far    0   100   0   -  4.7-5.0
      H     LEU   93 - HB2   LEU   62  far    0    98   0   -  8.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1872 from c13no.peaks (7.56, 1.76, 42.19 ppm; 4.16 A):
    1 out of 1 assignment used, quality = 0.93:
      H     ARG   46 + HB2   LEU   45  OK    93    93 100 100  2.5-3.8   665=91, 667/1.8=71, 125/685=64, 1952/3.1=51...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 1873 from c13no.peaks (3.96, 1.31, 42.19 ppm; 5.02 A increased from 4.02 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    GLN   59 + HB3   LEU   62  OK   100   100 100 100  4.1-4.8   2198/1.8=99, 2196/3.1=82, 877/3.8=73, 2291/3.0=71...(11)
      HA    PRO  112 - HB3   LEU   62  far    0    76   0   -  5.3-7.3
      HA    LEU   89 - HB3   LEU   62  far    0    81   0   -  6.4-8.6
      HA    ALA  115 - HB3   LEU   62  far    0    83   0   -  8.0-10.8
      HA    GLN   91 - HB3   LEU   62  far    0    95   0   -  9.2-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1874 from c13no.peaks (3.96, 1.75, 42.19 ppm; 4.05 A):
    1 out of 8 assignments used, quality = 1.00:
      HA    GLN   59 + HB2   LEU   62  OK   100   100 100 100  2.6-3.3   2198=99, 2290/3.1=61, 877/883=59, 1873/1.8=51...(11)
      HA    ARG   46 - HB2   LEU   45  far    0    73   0   -  4.5-5.6
      QA    GLY  121 - HB2   LEU  345  far    0    82   0   -  6.4-37.7
      HA    PRO  112 - HB2   LEU   62  far    0    76   0   -  6.7-7.7
      HA    LEU   89 - HB2   LEU   62  far    0    81   0   -  7.7-9.2
      HA    ALA  115 - HB2   LEU   62  far    0    83   0   -  8.8-10.5
      QA    GLY  106 - HB2   LEU  345  far    0    99   0   -  9.2-32.4
      QD    PRO   38 - HB2   LEU   45  far    0    60   0   -  9.5-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1875 from c13no.peaks (4.03, 1.76, 42.19 ppm; 3.97 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    ALA   43 + HB2   LEU   45  far    0    78   0   -  4.9-6.6
    Violated in 20 structures by 1.99 A.
 
    Peak 1877 from c13no.peaks (8.13, 1.31, 42.19 ppm; 3.89 A):
    1 out of 3 assignments used, quality = 0.96:
      H     LEU   62 + HB3   LEU   62  OK    96    96 100 100  2.9-3.6   3.8=100
      H     GLN   64 - HB3   LEU   62  far    0   100   0   -  5.0-5.3
      H     LEU   93 - HB3   LEU   62  far    0   100   0   -  6.7-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1878 from c13no.peaks (7.74, 1.75, 42.19 ppm; 4.10 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ALA   63 + HB2   LEU   62  OK    97    97 100 100  2.4-2.8   899=96, 901/1.8=86, 176/883=72, 905/3.1=47...(10)
      H     ALA  117 - HB2   LEU   62  far    0    78   0   -  7.2-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1879 from c13no.peaks (3.49, 1.57, 42.42 ppm; 5.21 A increased from 4.63 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    VAL  119 + HB3   LEU  122  OK    99    99 100 100  4.7-5.2   4006/4013=95, 1882/1.8=95, 4002/3.0=85, 616/1327=76...(7)
    Violated in 3 structures by 0.01 A.
 
    Peak 1881 from c13no.peaks (7.82, 1.57, 42.42 ppm; 4.48 A):
    1 out of 2 assignments used, quality = 0.92:
      H     ARG  123 + HB3   LEU  122  OK    92    92 100 100  4.3-4.4   4.6=91, 1884/1.8=77, 593/1327=72, 1302/3.1=66...(17)
      H     LEU  118 - HB3   LEU  122  far    0    93   0   -  7.9-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1882 from c13no.peaks (3.49, 1.85, 42.42 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    VAL  119 + HB2   LEU  122  OK    99    99 100  99  4.0-4.4   4006/3.1=79, 4002/3.0=69, 616/1326=64, 1879/1.8=59...(6)
    Violated in 1 structures by 0.00 A.
 
    Peak 1884 from c13no.peaks (7.81, 1.85, 42.42 ppm; 4.49 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ARG  123 + HB2   LEU  122  OK    98    98 100 100  4.1-4.3   4.6=91, 593/1326=78, 1881/1.8=77, 1302/3.1=71...(18)
      H     LEU  118 - HB2   LEU  122  far    0    83   0   -  6.2-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1885 from c13no.peaks (7.96, 1.85, 42.42 ppm; 5.18 A):
    1 out of 4 assignments used, quality = 0.98:
      H     GLY  121 + HB2   LEU  122  OK    98    98 100 100  4.6-4.9   1319=87, 617/3986=83, 1318/3.0=77, 1322/3.1=73...(10)
      H     GLY  128 - HB2   LEU  122  far    0    89   0   -  6.0-17.1
      H     VAL  104 - HB2   LEU  122  far    0    98   0   -  6.2-7.1
      H     GLU   41 - HB2   LEU  422  far    0    99   0   -  7.9-47.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1886 from c13no.peaks (4.19, 1.33, 42.58 ppm; 4.51 A):
    1 out of 4 assignments used, quality = 0.93:
      HA    LEU   86 + HB3   LEU   89  OK    93   100 100  93  3.8-4.5   1888/1.8=71, 3088/1131=53, 408/1146=42, 6.6/1120=9
    Violated in 0 structures by 0.00 A.
 
    Peak 1888 from c13no.peaks (4.20, 2.27, 42.58 ppm; 4.50 A):
    1 out of 1 assignment used, quality = 0.88:
      HA    LEU   86 + HB2   LEU   89  OK    88    97 100  91  3.4-4.4   1886/1.8=70, 3088/4.0=48, 3087/4.6=38
    Violated in 1 structures by 0.00 A.
 
    Peak 1889 from c13no.peaks (7.76, 2.27, 42.58 ppm; 4.68 A):
    1 out of 2 assignments used, quality = 0.90:
      H     GLU   90 + HB2   LEU   89  OK    90    90 100 100  2.1-2.3   4.6=100
      H     GLY   94 - HB2   LEU   89  far    0    96   0   -  6.5-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1891 from c13no.peaks (7.76, 1.33, 42.58 ppm; 4.61 A):
    1 out of 3 assignments used, quality = 0.97:
      H     GLU   90 + HB3   LEU   89  OK    97    97 100 100  3.4-3.8   4.6=98, 1144/1.8=96, 412/1131=72, 1145/3.0=58...(11)
      H     GLY   94 - HB3   LEU   89  far    0    87   0   -  7.4-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1893 from c13no.peaks (0.97, 0.97, 42.84 ppm; diagonal):
    0 out of 0 assignments used, quality = 0.00:
    Reference assignment not found:?HB3   LEU   73 -?HB3   LEU   73
 
    Peak 1894 from c13no.peaks (-0.64, 0.97, 42.84 ppm; 4.15 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 +?HB3   LEU   73  OK   100   100 100 100  1.9-3.0   2.1/1919=100, 2.1/1896=94, 3.1/1900=88, 1783/2649=81...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 1895 from c13no.peaks (0.28, 0.97, 42.84 ppm; 3.99 A):
    1 out of 2 assignments used, quality = 0.99:
      QD1   LEU   73 +?HB3   LEU   73  OK    99    99 100 100  2.0-2.3   1919=100, 2.1/1896=91, 2.1/1894=89, 3.1/1900=85...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 1896 from c13no.peaks (0.79, 0.97, 42.84 ppm; 4.01 A):
    1 out of 1 assignment used, quality = 1.00:
      HG    LEU   73 +?HB3   LEU   73  OK   100   100 100 100  2.7-2.9   2.1/1919=99, 2.1/1894=89, 3.0/1900=87, 1936/753=74...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1897 from c13no.peaks (1.77, 0.97, 42.84 ppm; 4.70 A):
    1 out of 9 assignments used, quality = 1.00:
      QE    MET   83 +?HB3   LEU   73  OK   100   100 100 100  2.3-4.2   1782/1894=91, 1912/1896=78, 2648/2649=77, 3.3/1898=74...(10)
      HG2   ARG   70 -?HB3   LEU   73  far    4    73   5   -  4.6-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1898 from c13no.peaks (2.16, 0.97, 42.84 ppm; 5.50 A increased from 5.05 A):
    1 out of 4 assignments used, quality = 0.37:
      HG3   MET   83 +?HB3   LEU   73  OK    37    98  38 100  5.3-5.8   3.3/1897=96, 2955/1919=91, 2956/1894=89, 3.0/2960=68...(7)
    Violated in 20 structures by 0.13 A.
 
    Peak 1899 from c13no.peaks (3.23, 0.97, 42.84 ppm; 4.42 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    LEU   73 +?HB3   LEU   73  OK    99    99 100 100  2.3-3.0   2649=100, 3.0/753=95, 3.0/1900=94, 1922/1919=91...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1900 from c13no.peaks (0.97, 1.26, 42.84 ppm; 3.72 A):
    1 out of 3 assignments used, quality = 1.00:
     ?HB3   LEU   73 + HB2   LEU   73  OK   100   100 100 100  1.8-1.8   1911=100, 1919/3.1=88, 1896/3.0=76, 2649/3.0=74...(12)
      QD2   LEU   68 - HB2   LEU   73  far    0   100   0   -  9.5-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1901 from c13no.peaks (0.77, 1.26, 42.84 ppm; 3.91 A):
    3 out of 3 assignments used, quality = 0.98:
      HG    LEU   73 + HB2   LEU   73  OK    81    81 100 100  2.5-2.9   3.0=100
     ?HB3   LEU   73 + HB2   LEU   73  OK    78    97 100  81  1.8-1.8   1003/4.6=36, 754/3.8=28, 236/3.0=26, 1918/3.1=18...(8)
      HG    LEU   73 +?HB3   LEU   73  OK    64    69 100  94  2.7-2.9   2.1/1920=43, 1910=39, 2.1/243=39, 4.3/235=30...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 1902 from c13no.peaks (1.77, 1.26, 42.84 ppm; 4.66 A):
    2 out of 17 assignments used, quality = 1.00:
      QE    MET   83 + HB2   LEU   73  OK   100   100 100 100  1.9-2.8   1635/1.8=100, 1782/3.1=84, 1912/3.0=64, 2648/3.0=64...(13)
      QE    MET   83 +?HB3   LEU   73  OK    82    90 100  90  2.3-4.2   1782/243=41, 996/998=40, 2648/235=35, 1912/1910=35...(6)
      HG2   ARG   70 -?HB3   LEU   73  far    3    62   5   -  4.6-7.5
      HG2   ARG   70 - HB2   LEU   73  far    0    73   0   -  5.9-7.0
      QB    LEU   84 - HB2   LEU   73  far    0    95   0   -  6.1-7.4
      HB3   ARG   74 - HB2   LEU   73  far    0    60   0   -  6.2-6.5
      HB2   LEU   86 - HB2   LEU   73  far    0   100   0   -  6.6-8.5
      HG2   ARG   78 - HB2   LEU   73  far    0   100   0   -  6.9-9.3
      QD    LYS   80 - HB2   LEU   73  far    0    65   0   -  8.2-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1903 from c13no.peaks (2.13, 1.26, 42.84 ppm; 4.82 A):
    1 out of 11 assignments used, quality = 0.93:
      HG3   MET   83 + HB2   LEU   73  OK    93    93 100 100  4.1-4.8   2956/3.1=62, ~1635=60, 2955/3.1=52, ~1897=46...(23)
      HG3   PRO   40 - HB2   LEU   73  far    0    71   0   -  7.8-9.8
      QB    GLN   71 - HB2   LEU   73  far    0   100   0   -  8.1-8.7
      QB    GLU   85 - HB2   LEU   73  far    0    95   0   -  9.2-10.2
    Violated in 2 structures by 0.00 A.
 
    Peak 1904 from c13no.peaks (3.63, 0.97, 42.84 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.92:
      HA    ARG   70 +?HB3   LEU   73  OK    92    95  98 100  2.7-5.5   319/753=85, 2.9/991=71, 2610/999=68, 1905/1900=51...(9)
    Violated in 1 structures by 0.01 A.
 
    Peak 1905 from c13no.peaks (3.63, 1.26, 42.84 ppm; 5.40 A):
    2 out of 2 assignments used, quality = 0.96:
      HA    ARG   70 + HB2   LEU   73  OK    90    95  95 100  4.3-5.0   1904/1.8=80, 2610/4.6=67, 319/3.8=58, ~991=57...(9)
      HA    ARG   70 +?HB3   LEU   73  OK    63    83  95  80  2.7-5.5   2610/998=43, 2688/2679=39, 319/752=39, 2.5/2582=5
    Violated in 0 structures by 0.00 A.
 
    Peak 1906 from c13no.peaks (8.00, 0.97, 42.84 ppm; 4.47 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   73 +?HB3   LEU   73  OK    99    99 100 100  2.4-2.6   753=100, 1928/1919=95, 3.0/2649=91, 3.8/1900=87...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1907 from c13no.peaks (8.00, 1.26, 42.84 ppm; 4.33 A):
    2 out of 4 assignments used, quality = 1.00:
      H     LEU   73 + HB2   LEU   73  OK    99    99 100 100  3.5-3.6   3.8=100
      H     LEU   73 +?HB3   LEU   73  OK    86    89 100  97  2.4-2.6   752=46, 3.0/235=41, 1928/1920=40, 290/998=38...(8)
      H     ARG   78 - HB2   LEU   73  far    0    63   0   -  6.7-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1908 from c13no.peaks (0.79, 0.79, 27.31 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG    LEU   73 + HG    LEU   73  OK   100   100   - 100
 
    Peak 1909 from c13no.peaks (-0.64, 0.79, 27.31 ppm; 3.66 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + HG    LEU   73  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1910 from c13no.peaks (1.26, 0.79, 27.31 ppm; 4.33 A):
    2 out of 3 assignments used, quality = 1.00:
      HB2   LEU   73 + HG    LEU   73  OK   100   100 100 100  2.5-2.9   3.0=100
     ?HB3   LEU   73 + HG    LEU   73  OK    88    92 100  96  2.7-2.9   1920/2.1=45, 243/2.1=43, 752/1936=37, 235/4.3=34...(8)
      HG3   GLN   91 - HG    LEU   73  far    0    83   0   -  9.4-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1911 from c13no.peaks (1.26, 0.97, 42.84 ppm; 3.80 A):
    1 out of 1 assignment used, quality = 1.00:
      HB2   LEU   73 +?HB3   LEU   73  OK   100   100 100 100  1.8-1.8   1900=100, 3.1/1919=90, 3.0/1896=78, 3.0/2649=77...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 1912 from c13no.peaks (1.78, 0.79, 27.31 ppm; 4.59 A increased from 4.08 A):
    1 out of 8 assignments used, quality = 1.00:
      QE    MET   83 + HG    LEU   73  OK   100   100 100 100  1.9-4.6   1782/2.1=95, 1635/3.0=89, 1921/2.1=56, 2648/4.3=49...(12)
      QB    LEU   84 - HG    LEU   73  far    0    81   0   -  5.7-7.2
      HB3   ARG   74 - HG    LEU   73  far    0    81   0   -  6.3-8.1
      HB2   LEU   86 - HG    LEU   73  far    0    96   0   -  6.4-8.3
      HG    LEU   86 - HG    LEU   73  far    0    60   0   -  7.3-8.9
      HG2   ARG   78 - HG    LEU   73  far    0    99   0   -  7.5-11.4
      QB    ARG   48 - HG    LEU   73  far    0    99   0   -  8.6-10.6
      HB3   GLU   41 - HG    LEU   73  far    0    85   0   -  9.6-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1913 from c13no.peaks (2.29, 0.79, 27.31 ppm; 5.05 A):
    0 out of 4 assignments used, quality = 0.00:
      QG    GLU  125 + HG    LEU  373  far    0    98   0   -  6.5-38.6
      HG3   GLU   76 + HG    LEU   73  far    0    97   0   -  6.9-13.0
      HG2   PRO   40 + HG    LEU   73  far    0    63   0   -  8.1-9.2
      HB    VAL   88 + HG    LEU   73  far    0    63   0   -  8.9-10.3
    Violated in 20 structures by 2.81 A.
 
    Peak 1914 from c13no.peaks (3.23, 0.79, 27.31 ppm; 4.82 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    LEU   73 + HG    LEU   73  OK   100   100 100 100  2.4-3.6   4.3=100
      HD2   ARG   70 - HG    LEU   73  far    0   100   0   -  6.6-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1915 from c13no.peaks (0.28, 0.79, 27.31 ppm; 3.05 A):
    2 out of 3 assignments used, quality = 1.00:
      QD1   LEU   73 + HG    LEU   73  OK   100   100 100 100  2.1-2.1   2.1=100
     ?HB3   LEU   73 + HG    LEU   73  OK    27    39 100  69  2.7-2.9   1635/1912=45, 1777/2.1=21, 237/4.3=10, 755/1936=8...(6)
      HB3   ARG   44 - HG    LEU   73  far    0    93   0   -  4.7-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1916 from c13no.peaks (0.28, 0.28, 26.98 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD1   LEU   73 + QD1   LEU   73  OK   100   100   - 100
 
    Peak 1918 from c13no.peaks (0.75, 0.28, 26.98 ppm; 2.59 A):
    3 out of 6 assignments used, quality = 0.99:
      QD1   LEU   87 + QD1   LEU   73  OK    86    93  95  97  1.7-1.8   3115=64, 2.1/3110=31, 3133/2.1=28, ~3134=19...(19)
      QD1   LEU   84 + QD1   LEU   73  OK    85    93  98  94  1.7-2.2   2997=67, 3067/2.1=30, 2.3/2939=20, 2.1/2993=18...(14)
     ?HB3   LEU   73 + QD1   LEU   73  OK    48    96  95  52  2.0-2.3   1932/2.1=22, 1003/1929=12, 1901/3.1=11, 1636/1921=9...(8)
      QD1   LEU   65 - QD1   LEU   73  far    0   100   0   -  7.2-8.1
      QD2   LEU   45 - QD1   LEU   73  far    0    73   0   -  7.6-9.9
      QD2   LEU   89 - QD1   LEU   73  far    0    90   0   -  8.6-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 1919 from c13no.peaks (0.97, 0.28, 26.98 ppm; 3.06 A):
    1 out of 4 assignments used, quality = 1.00:
     ?HB3   LEU   73 + QD1   LEU   73  OK   100   100 100 100  2.0-2.3   1895=70, 1896/2.1=64, 1894/2.1=61, 1900/3.1=59...(13)
      QD2   LEU   87 - QD1   LEU   73  far    0    65   0   -  3.2-3.7
      QD2   LEU   68 - QD1   LEU   73  far    0   100   0   -  6.1-7.1
      HG    LEU   65 - QD1   LEU   73  far    0   100   0   -  7.5-9.3
    Violated in 1 structures by 0.00 A.
 
    Peak 1920 from c13no.peaks (1.26, 0.28, 26.98 ppm; 3.61 A):
    2 out of 3 assignments used, quality = 1.00:
      HB2   LEU   73 + QD1   LEU   73  OK   100   100 100 100  2.0-3.0   3.1=100
     ?HB3   LEU   73 + QD1   LEU   73  OK    84    92 100  92  2.0-2.3   242=37, 1910/2.1=35, 243/2.1=35, 752/1928=33...(8)
      HG3   GLN   91 - QD1   LEU   73  far    0    83   0   -  7.0-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1921 from c13no.peaks (1.78, 0.28, 26.98 ppm; 3.30 A):
    2 out of 10 assignments used, quality = 0.95:
      QE    MET   83 + QD1   LEU   73  OK    86    99  88 100  1.7-3.5   1782/2.1=61, 1635/3.1=51, 1636/2997=36, 1912/2.1=36...(19)
      HG    LEU   87 + QD1   LEU   73  OK    62    65  95 100  1.9-2.9   2.1/3115=73, 2.1/3110=54, ~3134=34, ~3133=31...(17)
      QB    LEU   84 - QD1   LEU   73  far    0    68   0   -  3.6-4.2
      HB2   LEU   86 - QD1   LEU   73  far    0    89   0   -  4.5-6.5
      HB3   ARG   74 - QD1   LEU   73  far    0    90   0   -  5.1-7.4
      HG    LEU   86 - QD1   LEU   73  far    0    73   0   -  5.5-6.9
      HG2   ARG   78 - QD1   LEU   73  far    0    95   0   -  6.3-9.5
      QB    ARG   48 - QD1   LEU   73  far    0   100   0   -  7.1-8.5
      HB3   GLU   41 - QD1   LEU   73  far    0    93   0   -  9.4-10.5
      HB2   LEU   45 - QD1   LEU   73  far    0    68   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1922 from c13no.peaks (3.22, 0.28, 26.98 ppm; 3.92 A):
    1 out of 4 assignments used, quality = 0.97:
      HA    LEU   73 + QD1   LEU   73  OK    97    97 100 100  3.6-3.8   4.0=91, 1783/2.1=80, 3.0/1919=75, 3.0/1928=64...(35)
      HD2   ARG   70 - QD1   LEU   73  far    0   100   0   -  4.8-6.8
      QD    ARG   74 - QD1   LEU   73  far    0    60   0   -  5.0-7.0
      QD    ARG   46 - QD1   LEU   73  far    0    57   0   -  8.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1923 from c13no.peaks (3.74, 0.28, 26.98 ppm; 4.52 A):
    1 out of 3 assignments used, quality = 0.78:
      HA    LEU   84 + QD1   LEU   73  OK    78    78 100 100  2.0-2.8   2940=78, 2.5/2939=71, 4.0/2997=66, 3123/3115=58...(20)
      HA    VAL   88 - QD1   LEU   73  far    0    71   0   -  5.7-6.8
      HA    LEU   45 - QD1   LEU   73  far    0    78   0   -  8.5-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1924 from c13no.peaks (3.66, 0.28, 26.98 ppm; 5.15 A increased from 4.58 A):
    1 out of 1 assignment used, quality = 0.95:
      HA    MET   83 + QD1   LEU   73  OK    95   100  95 100  4.3-5.1   2972=96, 2973/2.1=93, 3.0/2963=75, 3.6/1081=64...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 1925 from c13no.peaks (7.12, 0.28, 26.98 ppm; 4.00 A):
    2 out of 2 assignments used, quality = 0.99:
      HE3   TRP   72 + QD1   LEU   73  OK    95   100  95 100  2.4-3.0   209/2.1=67, 2.5/217=58, 211/2.1=52, 210=50...(16)
      HZ3   TRP   72 + QD1   LEU   73  OK    81    85  95 100  2.3-3.8   217=64, 218/2.1=55, 2.4/206=54, 3089/3110=53...(17)
    Violated in 2 structures by 0.07 A.
 
    Peak 1926 from c13no.peaks (7.37, 0.28, 26.98 ppm; 4.40 A):
    3 out of 5 assignments used, quality = 0.95:
      H     TRP   72 + QD1   LEU   73  OK    73    76  98  99  3.3-4.1   234/3.1=58, 4.5/1928=53, 291/1929=35, 283=33...(13)
      HH2   TRP   72 + QD1   LEU   73  OK    55    60  93 100  3.2-4.7   2.4/217=69, 206=55, ~198=50, 207/2.1=48...(14)
      HZ2   TRP   72 + QD1   LEU   73  OK    55   100  55 100  4.1-4.9   198/2.1=82, 2.5/206=65, 192/3110=61, ~207=49...(16)
      QE    PHE   47 - QD1   LEU   73  poor  16   100  43  37  4.1-5.2   316/3148=23, 3095/3115=18
      H     GLU   67 - QD1   LEU   73  far    0    85   0   -  6.8-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1927 from c13no.peaks (7.57, 0.28, 26.98 ppm; 4.99 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   87 + QD1   LEU   73  OK    97   100  98 100  3.8-4.6   1103=100, 1104/3115=90, 1102/2.1=87, 1106/3110=77...(11)
      H     ARG   46 - QD1   LEU   73  far    0    73   0   -  8.4-9.3
    Violated in 2 structures by 0.01 A.
 
    Peak 1928 from c13no.peaks (8.00, 0.28, 26.98 ppm; 3.64 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   73 + QD1   LEU   73  OK   100   100 100 100  1.8-2.7   755=69, 1936/2.1=55, 1789/2.1=55, 753/1919=54...(24)
    Violated in 0 structures by 0.00 A.
 
    Peak 1929 from c13no.peaks (8.35, 0.28, 26.98 ppm; 5.02 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   74 + QD1   LEU   73  OK   100   100 100 100  2.4-4.1   997/3.1=91, 290/1928=82, 3.6/1922=77, 5.5=75...(13)
      H     ARG   48 - QD1   LEU   73  far    0    73   0   -  7.3-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1930 from c13no.peaks (-0.65, 0.28, 26.98 ppm; 2.98 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   73 + QD1   LEU   73  OK    99    99 100 100  1.9-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1931 from c13no.peaks (0.80, -0.65, 21.81 ppm; 3.25 A):
    2 out of 4 assignments used, quality = 0.99:
      HG    LEU   73 + QD2   LEU   73  OK    96    96 100 100  2.1-2.1   2.1=100
     ?HB3   LEU   73 + QD2   LEU   73  OK    58    97 100  60  1.9-3.0   236/1783=24, 754/1789=23, 241/3.1=18, 1003/1001=11
      QD1   LEU   45 - QD2   LEU   73  far    0    86   0   -  7.9-10.7
      QD1   LEU   89 - QD2   LEU   73  far    0    92   0   -  8.1-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1932 from c13no.peaks (0.74, -0.65, 21.81 ppm; 3.19 A):
    2 out of 6 assignments used, quality = 1.00:
      QD1   LEU   87 + QD2   LEU   73  OK    99   100 100 100  1.7-1.8   3115/2.1=71, 3133=60, 2.1/3134=59, 2.1/3132=34...(19)
     ?HB3   LEU   73 + QD2   LEU   73  OK    55    94 100  59  1.9-3.0   1636/1782=23, 1918/2.1=20, 1003/1001=15, 1901/3.1=8...(7)
      QD1   LEU   84 - QD2   LEU   73  far   15   100  15   -  2.6-3.6
      QD1   LEU   65 - QD2   LEU   73  far    0    95   0   -  8.0-9.6
      QD2   LEU   45 - QD2   LEU   73  far    0    95   0   -  8.3-10.9
      QD2   LEU   89 - QD2   LEU   73  far    0    99   0   -  9.0-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1933 from c13no.peaks (0.74, 0.97, 42.84 ppm; 4.01 A):
    2 out of 2 assignments used, quality = 0.99:
      QD1   LEU   84 +?HB3   LEU   73  OK    90   100  90 100  2.4-4.8   2997/1919=82, 3067/1894=74, 2996/1904=57, 1636/1897=50...(12)
      QD1   LEU   87 +?HB3   LEU   73  OK    89   100  90  99  3.8-4.1   3115/1919=94, 3133/1894=73, 2954/1898=27, 3094/208=26...(7)
    Violated in 2 structures by 0.02 A.
 
    Peak 1934 from c13no.peaks (7.12, 0.79, 27.31 ppm; 4.80 A):
    2 out of 2 assignments used, quality = 0.97:
      HE3   TRP   72 + HG    LEU   73  OK    91    96  95 100  3.1-4.1   211/2.1=72, 208/3.0=62, 209=57, ~218=55...(14)
      HZ3   TRP   72 + HG    LEU   73  OK    63    68  93 100  3.4-5.2   218/2.1=58, ~207=57, 217/2.1=57, ~206=53...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 1935 from c13no.peaks (7.37, 0.79, 27.31 ppm; 4.90 A):
    2 out of 4 assignments used, quality = 0.96:
      HZ2   TRP   72 + HG    LEU   73  OK    90   100  90 100  3.4-6.0   198/2.1=92, ~207=59, ~206=54, 195/2.1=49...(14)
      H     TRP   72 + HG    LEU   73  OK    64    81  80 100  3.5-5.1   234/3.0=72, 4.5/1936=59, 3.9/2634=49, 283/2.1=46...(11)
      QE    PHE   47 - HG    LEU   73  far    0   100   0   -  5.7-7.1
      H     GLU   67 - HG    LEU   73  far    0    81   0   -  8.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1936 from c13no.peaks (8.00, 0.79, 27.31 ppm; 4.15 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   73 + HG    LEU   73  OK    99    99 100 100  1.5-2.8   1928/2.1=82, 1789/2.1=71, 753/3.0=69, 754=57...(25)
      H     ARG   78 - HG    LEU   73  far    0    65   0   -  6.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1937 from c13no.peaks (0.73, 1.61, 27.30 ppm; 3.30 A):
    1 out of 5 assignments used, quality = 1.00:
      QD2   LEU   45 + HG    LEU   45  OK   100   100 100 100  2.1-2.1   2.1=100
      QD1   LEU   84 - QG    ARG   74  far    0    54   0   -  5.3-5.9
      QD1   LEU   87 - QG    ARG   74  far    0    54   0   -  7.0-7.7
      QD2   LEU   45 - QG    ARG   74  far    0    60   0   -  9.5-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1938 from c13no.peaks (0.82, 1.61, 27.30 ppm; 3.70 A):
    1 out of 4 assignments used, quality = 1.00:
      QD1   LEU   45 + HG    LEU   45  OK   100   100 100 100  2.1-2.1   2.1=100
      HG    LEU   73 - QG    ARG   74  far    0    28   0   -  4.8-6.1
      QD1   LEU   45 - QG    ARG   74  far    0    60   0   -  9.4-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1939 from c13no.peaks (1.39, 0.82, 25.73 ppm; 3.05 A):
    1 out of 5 assignments used, quality = 0.90:
      HB3   LEU   45 + QD1   LEU   45  OK    90   100  90 100  2.1-3.2   3.1=91, 1942/2.1=70, 1.8/1941=52, 1870/688=27...(10)
      HB3   LEU   93 - QD1   LEU   89  far    0    42   0   -  3.6-6.3
      QB    ALA  115 - QD1   LEU   89  far    0    51   0   -  4.6-5.0
      HG    LEU   62 - QD1   LEU   89  far    0    61   0   -  8.1-9.6
      QB    ALA  115 - QD1   LEU  345  far    0    92   0   -  9.3-04.8
    Violated in 3 structures by 0.02 A.
 
    Peak 1940 from c13no.peaks (1.61, 0.82, 25.73 ppm; 3.09 A):
    1 out of 6 assignments used, quality = 1.00:
      HG    LEU   45 + QD1   LEU   45  OK   100   100 100 100  2.1-2.1   2.1=100
      QG    ARG   48 - QD1   LEU   45  far    0   100   0   -  4.2-7.8
      QB    ALA   43 - QD1   LEU   45  far    0   100   0   -  4.4-6.7
      QB    ALA   95 - QD1   LEU   89  far    0    61   0   -  7.5-9.0
      QG    ARG   48 - QD1   LEU   89  far    0    60   0   -  8.6-10.5
      QG    ARG   74 - QD1   LEU   45  far    0    63   0   -  9.4-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1941 from c13no.peaks (1.76, 0.82, 25.73 ppm; 2.92 A):
    2 out of 13 assignments used, quality = 0.99:
      HB2   LEU   45 + QD1   LEU   45  OK    99   100 100  99  2.0-2.6   3.1=80, 1.8/1939=63, ~1942=35, 685/688=29...(9)
      HG    LEU   89 + QD1   LEU   89  OK    38    38 100 100  2.1-2.1   2.1=100
      QB    ARG   48 - QD1   LEU   45  far    0    65   0   -  4.1-6.3
      HG3   PRO  109 - QD1   LEU   89  far    0    59   0   -  4.1-5.9
      HB2   LEU   86 - QD1   LEU   89  far    0    57   0   -  5.5-7.1
      HB2   ARG  108 - QD1   LEU   89  far    0    58   0   -  6.8-8.5
      QB    LEU   84 - QD1   LEU   89  far    0    61   0   -  7.4-8.3
      HG3   ARG  103 - QD1   LEU  345  far    0    96   0   -  7.5-20.8
      QB    ARG   48 - QD1   LEU   89  far    0    33   0   -  9.6-11.5
      QE    MET   83 - QD1   LEU   89  far    0    47   0   -  9.7-10.7
      HB2   ARG  108 - QD1   LEU  345  far    0    99   0   -  9.7-27.1
      HB2   LEU   62 - QD1   LEU   89  far    0    61   0   -  9.7-11.1
      HG3   PRO  109 - QD1   LEU  345  far    0    99   0   -  9.7-26.4
    Violated in 0 structures by 0.00 A.
 
    Peak 1942 from c13no.peaks (1.40, 0.73, 23.40 ppm; 2.70 A):
    1 out of 5 assignments used, quality = 0.88:
      HB3   LEU   45 + QD2   LEU   45  OK    88    99  95  94  2.0-3.2   3.1=63, 1939/2.1=49, 3.0/764=30, ~1941=20...(8)
      QB    ALA  115 - QD2   LEU   89  far   10    96  10   -  2.7-3.2
      HB3   LEU   93 - QD2   LEU   89  far    0    59   0   -  2.9-4.4
      HG    LEU   62 - QD2   LEU   89  far    0    98   0   -  5.7-7.4
      QB    ALA  115 - QD2   LEU  345  far    0    99   0   -  8.9-06.8
    Violated in 1 structures by 0.02 A.
 
    Peak 1943 from c13no.peaks (1.63, 0.73, 23.40 ppm; 2.96 A):
    1 out of 7 assignments used, quality = 0.97:
      HG    LEU   45 + QD2   LEU   45  OK    97    97 100 100  2.1-2.1   2.1=100
      QG    ARG   46 - QD2   LEU   45  poor  18    81  50  44  2.0-5.9   4.3/1955=19, 6.1/764=11, 6.3/1942=11, 6.9=8
      QG    ARG   48 - QD2   LEU   45  far    0    99   0   -  3.6-6.7
      QB    ALA   43 - QD2   LEU   45  far    0    89   0   -  4.4-7.4
      QB    ALA   95 - QD2   LEU   89  far    0    90   0   -  6.6-7.3
      QB    ALA   95 - QD2   LEU   45  far    0    93   0   -  8.5-10.4
      QG    ARG   48 - QD2   LEU   89  far    0    96   0   -  9.1-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1944 from c13no.peaks (1.76, 0.73, 23.40 ppm; 2.86 A):
    1 out of 12 assignments used, quality = 0.70:
      HG    LEU   89 + QD2   LEU   89  OK    70    70 100 100  2.1-2.1   2.1=100
      HB2   LEU   45 - QD2   LEU   45  far    5   100   5   -  2.3-3.2
      HG3   PRO  109 - QD2   LEU   89  far    0    97   0   -  3.0-4.3
      QB    ARG   48 - QD2   LEU   45  far    0    65   0   -  3.3-5.1
      HB2   ARG  108 - QD2   LEU   89  far    0    96   0   -  7.0-8.4
      QB    LEU   84 - QD2   LEU   89  far    0    98   0   -  7.5-8.2
      HB2   LEU   86 - QD2   LEU   89  far    0    95   0   -  7.6-8.3
      HB2   LEU   62 - QD2   LEU   89  far    0    98   0   -  7.7-8.9
      HB2   ARG  108 - QD2   LEU  345  far    0    99   0   -  8.2-29.6
      HG3   PRO  109 - QD2   LEU  345  far    0    99   0   -  9.0-28.9
      HG3   ARG  103 - QD2   LEU  345  far    0    96   0   -  9.1-23.3
      QB    ARG   48 - QD2   LEU   89  far    0    62   0   -  9.7-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1946 from c13no.peaks (0.74, 1.39, 42.19 ppm; 3.44 A):
    1 out of 1 assignment used, quality = 0.89:
      QD2   LEU   45 + HB3   LEU   45  OK    89    89 100 100  2.0-3.2   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1947 from c13no.peaks (0.82, 1.39, 42.19 ppm; 3.33 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   45 + HB3   LEU   45  OK   100   100 100 100  2.1-3.2   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1948 from c13no.peaks (4.04, 0.82, 25.73 ppm; 3.75 A increased from 3.33 A):
    1 out of 6 assignments used, quality = 0.82:
      HA    ALA   42 + QD1   LEU   45  OK    82    83 100  99  1.9-3.7   1581=93, 1583/3.1=45, 680/688=40, 3.0/1951=21...(7)
      HA    GLU   90 - QD1   LEU   89  poor  15    61  25   -  2.5-5.0
      HA    ALA   43 - QD1   LEU   45  far    7    99   8   -  3.6-6.7
      HA3   GLY   39 - QD1   LEU   45  far    0    76   0   -  6.4-9.0
      HA    LEU   68 - QD1   LEU   45  far    0    63   0   -  7.9-10.9
      HA    ILE  100 - QD1   LEU  345  far    0    60   0   -  9.5-21.4
    Violated in 1 structures by 0.00 A.
 
    Peak 1949 from c13no.peaks (8.11, 1.61, 27.30 ppm; 3.71 A):
    1 out of 2 assignments used, quality = 0.92:
      H     LEU   45 + HG    LEU   45  OK    92   100  93 100  2.6-3.9   686=95, 688/2.1=67, 685/3.0=63, 687/3.0=56...(14)
      H     LEU   45 - QG    ARG   74  far    0    60   0   -  9.7-10.6
    Violated in 2 structures by 0.02 A.
 
    Peak 1950 from c13no.peaks (8.12, 0.82, 25.73 ppm; 4.02 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   45 + QD1   LEU   45  OK   100   100 100 100  1.9-3.9   688=95, 686/2.1=83, 685/3.1=69, 690/2.1=63...(14)
      H     LEU   93 - QD1   LEU   89  far    0    45   0   -  4.2-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1951 from c13no.peaks (7.88, 0.82, 25.73 ppm; 5.49 A increased from 4.63 A):
    2 out of 5 assignments used, quality = 0.94:
      H     ALA   42 + QD1   LEU   45  OK    89    98  93  99  3.9-5.9   3.0/1948=95, ~1583=50, 579/7.0=39, ~36=10
      H     ALA   43 + QD1   LEU   45  OK    41    68  63  97  3.7-6.3   3.6/1948=88, 123/7.0=35, 7.9/1950=32, 1654/7.4=26
      H     GLU   85 - QD1   LEU   89  far    0    54   0   -  6.5-7.9
      HE21  GLN   71 - QD1   LEU   45  far    0    81   0   -  8.6-12.2
      H     VAL  119 - QD1   LEU  345  far    0    85   0   -  8.7-26.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1952 from c13no.peaks (7.55, 0.82, 25.73 ppm; 4.45 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   46 + QD1   LEU   45  OK   100   100 100 100  1.8-4.5   669=88, 665/3.1=71, 1955/2.1=71, 667/3.1=66...(14)
      H     LEU   87 - QD1   LEU   89  far    0    41   0   -  5.7-6.4
    Violated in 3 structures by 0.00 A.
 
    Peak 1953 from c13no.peaks (8.12, 0.73, 23.40 ppm; 3.84 A):
    1 out of 3 assignments used, quality = 0.57:
      H     LEU   93 + QD2   LEU   89  OK    57    81 100  70  3.2-3.8   4.5/3200=35, 444/3185=32, 1175/3.1=27, 1863/8.8=8
      H     LEU   45 - QD2   LEU   45  far   12   100  13   -  1.9-4.2
      H     LEU   62 - QD2   LEU   89  far    0    98   0   -  7.9-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1954 from c13no.peaks (8.37, 0.73, 23.40 ppm; 5.46 A increased from 4.85 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   48 + QD2   LEU   45  OK   100   100 100 100  4.5-5.3   748=100, 1958/764=78, 745/6.7=41, 132/7.6=34...(8)
      H     ASP  120 - QD2   LEU   89  far    0    83   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1955 from c13no.peaks (7.54, 0.73, 23.40 ppm; 4.56 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ARG   46 + QD2   LEU   45  OK    97   100  98 100  2.0-4.6   1952/2.1=77, 5.0=75, 665/3.1=74, 667/1942=72...(16)
      H     LEU   87 - QD2   LEU   89  far    0    62   0   -  6.7-7.1
    Violated in 2 structures by 0.01 A.
 
    Peak 1956 from c13no.peaks (7.56, 3.76, 58.37 ppm; 4.70 A):
    1 out of 2 assignments used, quality = 0.90:
      H     ARG   46 + HA    LEU   45  OK    90    90 100 100  3.5-3.6   3.6=100
      H     LEU   87 - HA    LEU   62  far    0    78   0   -  9.0-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1957 from c13no.peaks (8.12, 3.76, 58.37 ppm; 3.67 A):
    2 out of 4 assignments used, quality = 1.00:
      H     LEU   45 + HA    LEU   45  OK   100   100 100 100  2.8-2.9   2.9=100
      H     LEU   62 + HA    LEU   62  OK    82    82 100 100  2.7-2.8   3.0=100
      H     GLN   64 - HA    LEU   62  far    0    72   0   -  4.0-4.3
      H     LEU   93 - HA    LEU   62  far    0    64   0   -  7.1-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 1958 from c13no.peaks (8.37, 3.76, 58.37 ppm; 4.47 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ARG   48 + HA    LEU   45  OK    97   100 100  97  3.3-3.7   138/759=48, 748/764=46, 132/673=44, 745/5.4=36...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 1959 from c13no.peaks (7.55, 3.98, 60.00 ppm; 3.79 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   46 + HA    ARG   46  OK   100   100 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1960 from c13no.peaks (7.55, 1.92, 30.92 ppm; 3.55 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   46 + QB    ARG   46  OK   100   100 100 100  2.1-2.6   3.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1961 from c13no.peaks (7.55, 1.65, 28.60 ppm; 4.11 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ARG   46 + QG    ARG   46  OK    97    97 100 100  1.9-3.8   664/2.1=93, 4.3=85, 661/2.1=75, 397/4.4=51...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 1962 from c13no.peaks (7.56, 3.25, 43.81 ppm; 4.56 A):
    1 out of 2 assignments used, quality = 0.90:
      H     ARG   46 + QD    ARG   46  OK    90    90 100 100  2.1-3.5   661=90, 664/2.1=90, 1961/2.1=83, 3.0/1170=77...(15)
      H     ARG   46 - QD    ARG  403  far    0    85   0   -  9.6-31.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1963 from c13no.peaks (7.37, 3.25, 43.81 ppm; 4.50 A increased from 4.24 A):
    1 out of 5 assignments used, quality = 0.90:
      H     ARG  103 + QD    ARG  103  OK    90    90 100 100  4.1-4.5   3562/2.5=81, 3564/2.5=74, 3.0/3552=73, 5.1=70...(18)
      H     ILE  100 - QD    ARG  103  far    0    95   0   -  7.2-7.6
      H     TRP   72 - QD    ARG   46  far    0    73   0   -  7.7-10.3
      QE    PHE   47 - QD    ARG   46  far    0   100   0   -  8.5-9.6
      H     GLU   67 - QD    ARG   46  far    0    87   0   -  9.3-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1964 from c13no.peaks (3.24, 1.65, 28.60 ppm; 3.37 A):
    1 out of 5 assignments used, quality = 0.97:
      QD    ARG   46 + QG    ARG   46  OK    97    97 100 100  2.0-2.1   2.1=100
      HB2   PHE   47 - QG    ARG   46  far    0    60   0   -  3.5-6.6
      HB2   PHE   50 - QG    ARG   46  far    0    92   0   -  5.0-7.5
      QD    ARG  103 - QG    ARG  346  far    0   100   0   -  8.7-16.7
      HD2   ARG   70 - QG    ARG   46  far    0    90   0   -  9.3-13.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1965 from c13no.peaks (1.94, 1.65, 28.60 ppm; 2.77 A):
    1 out of 2 assignments used, quality = 0.97:
      QB    ARG   46 + QG    ARG   46  OK    97    97 100 100  2.0-2.0   2.1=100
      HB2   LEU   65 - QG    ARG   46  far    0    97   0   -  8.7-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 1967 from c13no.peaks (1.94, 3.25, 43.81 ppm; 2.75 A):
    2 out of 7 assignments used, quality = 0.99:
      QB    ARG   46 + QD    ARG   46  OK    97    97 100 100  2.0-2.4   2.1=100
      HB3   ARG  103 + QD    ARG  103  OK    61    80  85  90  2.1-3.3   3.3=60, 3.0/3552=28, ~448=25, 4.0/1963=17...(10)
      HG    LEU  122 - QD    ARG  103  far    0    97   0   -  4.9-5.9
      HB3   GLU  125 - QD    ARG  103  far    0    97   0   -  6.0-13.0
      HG    LEU  118 - QD    ARG  103  far    0    97   0   -  7.7-8.6
      HB3   GLN  101 - QD    ARG  103  far    0    87   0   -  8.6-9.2
      HB3   ARG  103 - QD    ARG  346  far    0    85   0   -  9.9-30.2
    Violated in 0 structures by 0.00 A.
 
    Peak 1968 from c13no.peaks (1.65, 3.25, 43.81 ppm; 2.89 A):
    1 out of 2 assignments used, quality = 1.00:
      QG    ARG   46 + QD    ARG   46  OK   100   100 100 100  2.0-2.1   2.1=100
      QG    ARG   46 - QD    ARG  403  far    0    97   0   -  8.7-16.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1969 from c13no.peaks (7.25, 3.04, 39.68 ppm; 4.29 A):
    1 out of 2 assignments used, quality = 1.00:
      QD    PHE   47 + HB3   PHE   47  OK   100   100 100 100  2.3-2.4   2.4=100
      QD    PHE   47 - HB3   PHE   92  far    0    66   0   -  6.9-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 1970 from c13no.peaks (7.66, 3.04, 39.68 ppm; 4.53 A):
    1 out of 1 assignment used, quality = 0.99:
      H     PHE   47 + HB3   PHE   47  OK    99    99 100 100  2.1-2.2   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1971 from c13no.peaks (7.66, 3.27, 39.68 ppm; 4.91 A):
    1 out of 1 assignment used, quality = 0.99:
      H     PHE   47 + HB2   PHE   47  OK    99    99 100 100  3.0-3.2   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1972 from c13no.peaks (7.25, 3.27, 39.68 ppm; 4.61 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE   47 + HB2   PHE   47  OK   100   100 100 100  2.3-2.5   2.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1973 from c13no.peaks (7.25, 4.43, 60.22 ppm; 4.09 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE   47 + HA    PHE   47  OK   100   100 100 100  2.8-3.2   3.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1974 from c13no.peaks (1.56, 4.43, 60.22 ppm; 4.29 A):
    0 out of 2 assignments used, quality = 0.00:
      QG    ARG   66 + HA    PHE   47  far    0    60   0   -  8.6-9.4
      QB    ALA   63 + HA    PHE   47  far    0    95   0   -  9.9-10.4
    Violated in 20 structures by 4.11 A.
 
    Peak 1975 from c13no.peaks (1.05, 4.43, 60.22 ppm; 3.96 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   68 + HA    PHE   47  OK   100   100 100 100  2.0-2.6   2486=99, 2.1/2487=63, 2512/3.0=47, 306/101=43...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1976 from c13no.peaks (2.77, 3.27, 39.68 ppm; 4.79 A):
    0 out of 1 assignment used, quality = 0.00:
      HB3   TRP   72 + HB2   PHE   47  far    2    97   3   -  4.9-6.6
    Violated in 20 structures by 1.35 A.
 
    Peak 1977 from c13no.peaks (1.79, 2.84, 42.84 ppm; 4.03 A):
    1 out of 6 assignments used, quality = 1.00:
      QB    ARG   48 + QD    ARG   48  OK   100   100 100 100  1.9-2.7   2.1=100
      HG    LEU   87 - QD    ARG   48  far    0    78   0   -  4.7-7.3
      HB3   GLU   41 - QD    ARG   48  far    0    98   0   -  7.5-12.1
      HB2   LEU   86 - QD    ARG   48  far    0    78   0   -  8.8-10.8
      QE    MET   83 - QD    ARG   48  far    0    95   0   -  9.0-11.4
      HG    LEU   86 - QD    ARG   48  far    0    85   0   -  9.5-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1978 from c13no.peaks (1.63, 2.84, 42.84 ppm; 3.81 A):
    1 out of 6 assignments used, quality = 0.95:
      QG    ARG   48 + QD    ARG   48  OK    95    95 100 100  2.0-2.1   2.1=100
      HG    LEU   45 - QD    ARG   48  far    0    90   0   -  4.3-8.4
      QB    ALA   95 - QD    ARG   48  far    0    85   0   -  5.0-7.8
      QB    ALA   43 - QD    ARG   48  far    0    78   0   -  6.3-8.8
      QG    ARG   46 - QD    ARG   48  far    0    90   0   -  7.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1979 from c13no.peaks (2.83, 1.62, 26.01 ppm; 4.23 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    ARG   48 + QG    ARG   48  OK    99    99 100 100  2.0-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1980 from c13no.peaks (2.84, 1.78, 29.90 ppm; 4.32 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    ARG   48 + QB    ARG   48  OK   100   100 100 100  1.9-2.7   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1981 from c13no.peaks (7.23, 2.84, 42.84 ppm; 4.58 A):
    1 out of 1 assignment used, quality = 0.96:
      QD    PHE   47 + QD    ARG   48  OK    96    97 100  99  2.0-4.5   2.2/1982=69, 1987/2.1=56, 1998/1173=44, 5.0/744=43...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1982 from c13no.peaks (7.39, 2.84, 42.84 ppm; 4.79 A):
    1 out of 3 assignments used, quality = 0.86:
      QE    PHE   47 + QD    ARG   48  OK    86    87 100  99  1.9-4.5   2.2/1981=79, ~1987=47, ~1346=45, 1994/2.1=44...(8)
      HH2   TRP   72 - QD    ARG   48  far    2    97   3   -  3.8-6.5
      HZ2   TRP   72 - QD    ARG   48  far    0    78   0   -  5.4-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1983 from c13no.peaks (8.38, 2.84, 42.84 ppm; 5.15 A):
    1 out of 2 assignments used, quality = 0.99:
      H     ARG   48 + QD    ARG   48  OK    99    99 100  99  2.9-4.4   5.2=99
      H     ARG   74 - QD    ARG   48  far    0    68   0   -  9.9-13.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1984 from c13no.peaks (8.55, 2.84, 42.84 ppm; 5.22 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1985 from c13no.peaks (8.86, 2.84, 42.84 ppm; 5.41 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1986 from c13no.peaks (9.92, 2.84, 42.84 ppm; 4.47 A):
    1 out of 1 assignment used, quality = 0.99:
      HE    ARG   48 + QD    ARG   48  OK    99    99 100 100  2.2-2.5   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1987 from c13no.peaks (7.24, 1.62, 26.01 ppm; 5.26 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE   47 + QG    ARG   48  OK   100   100 100 100  2.0-4.9   1981/2.1=85, 137/747=66, ~1982=62, 1998/3.4=58...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 1988 from c13no.peaks (7.39, 1.62, 26.01 ppm; 5.50 A):
    2 out of 3 assignments used, quality = 0.93:
      QE    PHE   47 + QG    ARG   48  OK    87    87 100 100  2.2-5.1   1982/2.1=91, 2.2/1987=82, ~1981=69, 1994/2.1=57...(10)
      HH2   TRP   72 + QG    ARG   48  OK    46    97  65  74  4.9-7.6   134/2.9=74
      HZ2   TRP   72 - QG    ARG   48  far    0    78   0   -  6.0-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 1989 from c13no.peaks (8.37, 1.62, 26.01 ppm; 4.37 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   48 + QG    ARG   48  OK   100   100 100 100  1.9-4.1   4.3=100
      H     ASP  120 - QG    ARG  348  far    0    73   0   -  9.6-41.1
    Violated in 0 structures by 0.00 A.
 
    Peak 1990 from c13no.peaks (9.92, 1.62, 26.01 ppm; 4.84 A):
    1 out of 1 assignment used, quality = 0.99:
      HE    ARG   48 + QG    ARG   48  OK    99    99 100 100  2.1-3.2   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1991 from c13no.peaks (8.37, 1.78, 29.90 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   48 + QB    ARG   48  OK   100   100 100 100  2.1-2.5   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1992 from c13no.peaks (8.47, 1.78, 29.90 ppm; 4.37 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 1993 from c13no.peaks (8.02, 1.78, 29.90 ppm; 4.56 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYS   49 + QB    ARG   48  OK   100   100 100 100  2.7-3.3   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 1994 from c13no.peaks (7.37, 1.78, 29.90 ppm; 5.37 A):
    1 out of 3 assignments used, quality = 1.00:
      QE    PHE   47 + QB    ARG   48  OK   100   100 100 100  3.5-5.1   ~1981=66, 1982/2.1=62, ~1987=58, ~137=53...(9)
      HZ2   TRP   72 - QB    ARG   48  far    0   100   0   -  7.2-8.6
      H     TRP   72 - QB    ARG   48  far    0    78   0   -  9.5-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 1995 from c13no.peaks (6.43, 3.83, 55.78 ppm; 5.47 A):
    1 out of 1 assignment used, quality = 0.92:
      HE22  GLN   91 + HA    ARG   48  OK    92    97 100  95  2.1-5.0   1.7/414=93, ~1064=17, 1162/3.4=14
    Violated in 0 structures by 0.00 A.
 
    Peak 1996 from c13no.peaks (6.69, 3.83, 55.78 ppm; 4.98 A):
    1 out of 1 assignment used, quality = 0.84:
      HE21  GLN   91 + HA    ARG   48  OK    84    87 100  97  2.0-4.3   414=84, 1.7/1995=69, 1064/3.4=17, 416/5.4=12
    Violated in 0 structures by 0.00 A.
 
    Peak 1997 from c13no.peaks (6.90, 3.83, 55.78 ppm; 5.31 A):
    1 out of 2 assignments used, quality = 0.99:
      H     PHE   50 + HA    ARG   48  OK    99    99 100 100  3.4-3.8   141/3.6=90, 770=90, 773/6.0=48, 774/6.0=47...(7)
      QD    PHE   92 - HA    ARG   48  far    0    89   0   -  8.9-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 1998 from c13no.peaks (7.23, 3.83, 55.78 ppm; 5.45 A):
    1 out of 1 assignment used, quality = 0.97:
      QD    PHE   47 + HA    ARG   48  OK    97    97 100 100  3.2-3.8   322/2.9=79, 1981/1173=74, 1987/3.4=65, 101/5.4=63...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 1999 from c13no.peaks (8.03, 3.83, 55.78 ppm; 5.16 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYS   49 + HA    ARG   48  OK   100   100 100 100  3.3-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2000 from c13no.peaks (8.37, 3.83, 55.78 ppm; 4.86 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   48 + HA    ARG   48  OK   100   100 100 100  2.8-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2001 from c13no.peaks (8.51, 3.83, 55.78 ppm; 4.97 A):
    0 out of 2 assignments used, quality = 0.00:
      H     LEU   89 + HA    ARG   48  far    0   100   0   -  8.9-9.6
      H     LEU   68 + HA    ARG   48  far    0   100   0   -  9.1-9.8
    Violated in 20 structures by 3.42 A.
 
    Peak 2002 from c13no.peaks (4.00, 3.08, 27.44 ppm; 5.10 A):
    1 out of 2 assignments used, quality = 0.89:
      HA    ARG   46 + HB2   CYS   49  OK    89    90 100  98  2.6-4.7   2003/1.8=85, 757/760=75, 771/773=50, 6.3/3185=5
      HA    GLN   91 - HB2   CYS   49  far    0    65   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2003 from c13no.peaks (4.00, 2.88, 27.44 ppm; 4.88 A):
    1 out of 2 assignments used, quality = 0.88:
      HA    ARG   46 + HB3   CYS   49  OK    88    92 100  96  2.5-3.3   2002/1.8=75, 757/761=73, 771/4.7=44
      HA    GLN   91 - HB3   CYS   49  far    0    68   0   -  8.9-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2004 from c13no.peaks (6.88, 2.88, 27.44 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.97:
      H     PHE   50 + HB3   CYS   49  OK    97    97 100 100  3.2-3.5   4.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2005 from c13no.peaks (8.04, 2.88, 27.44 ppm; 4.08 A):
    1 out of 1 assignment used, quality = 0.96:
      H     CYS   49 + HB3   CYS   49  OK    96    96 100 100  2.2-2.9   4.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2006 from c13no.peaks (6.88, 3.08, 27.44 ppm; 5.38 A):
    1 out of 1 assignment used, quality = 0.97:
      H     PHE   50 + HB2   CYS   49  OK    97    97 100 100  3.9-4.2   4.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2007 from c13no.peaks (8.04, 3.08, 27.44 ppm; 4.15 A):
    1 out of 1 assignment used, quality = 0.99:
      H     CYS   49 + HB2   CYS   49  OK    99    99 100 100  2.3-3.6   4.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2008 from c13no.peaks (1.62, 2.61, 40.84 ppm; 4.79 A):
    1 out of 6 assignments used, quality = 0.99:
      QB    ALA   95 + HB3   PHE   50  OK    99    99 100 100  3.7-4.3   278/2.5=94, 1714/1.8=62, 1711/2370=58, 267/4.4=55...(13)
      QG    ARG   48 - HB3   PHE   50  far    0   100   0   -  5.9-6.7
      QG    ARG   46 - HB3   PHE   50  far    0    60   0   -  6.3-8.5
      QB    ALA   43 - HB3   PHE   50  far    0    98   0   -  8.5-9.5
      QG    ARG   66 - HB3   PHE   50  far    0    65   0   -  9.1-9.6
      HG    LEU   45 - HB3   PHE   50  far    0   100   0   -  9.6-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2009 from c13no.peaks (1.04, 2.61, 40.84 ppm; 4.72 A):
    1 out of 1 assignment used, quality = 0.87:
      QD1   LEU   68 + HB3   PHE   50  OK    87   100  88 100  3.4-4.6   2498=94, 2510/2.5=90, 2013/1.8=82, 778/775=56
    Violated in 0 structures by 0.00 A.
 
    Peak 2010 from c13no.peaks (0.74, 2.61, 40.84 ppm; 5.30 A):
    1 out of 4 assignments used, quality = 0.96:
      QD1   LEU   65 + HB3   PHE   50  OK    96    96 100 100  3.9-4.4   2.1/2370=99, 2396/2.5=92, ~2359=80, ~281=77...(10)
      QD2   LEU   45 - HB3   PHE   50  far    0    96   0   -  8.2-9.3
      QD1   LEU   87 - HB3   PHE   50  far    0   100   0   -  8.7-9.8
      QD2   LEU   89 - HB3   PHE   50  far    0   100   0   -  9.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2011 from c13no.peaks (0.59, 2.61, 40.84 ppm; 4.33 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   65 + HB3   PHE   50  OK   100   100 100 100  2.0-2.5   2370=100, 2359/1.8=87, 281/2.5=87, 779/775=59...(12)
      HG2   ARG   44 - HB3   PHE   50  far    0    97   0   -  9.3-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2012 from c13no.peaks (1.61, 3.26, 40.84 ppm; 5.50 A increased from 4.96 A):
    1 out of 5 assignments used, quality = 1.00:
      QB    ALA   95 + HB2   PHE   50  OK   100   100 100 100  5.1-5.6   1722/2.5=100, 1714=97, 2008/1.8=94, 1711/2359=73...(13)
      QG    ARG   48 - HB2   PHE   50  far    0   100   0   -  6.5-7.1
      QB    ALA   43 - HB2   PHE   50  far    0   100   0   -  7.6-8.7
      HG    LEU   45 - HB2   PHE   50  far    0   100   0   -  8.9-11.4
      QG    ARG   66 - HB2   PHE   50  far    0    78   0   -  8.9-9.4
    Violated in 11 structures by 0.02 A.
 
    Peak 2013 from c13no.peaks (1.04, 3.26, 40.84 ppm; 4.59 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   68 + HB2   PHE   50  OK   100   100 100 100  2.4-3.5   2510/2.5=87, 2009/1.8=76, 778/772=54, 2484=50...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 2014 from c13no.peaks (0.59, 3.26, 40.84 ppm; 4.38 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   65 + HB2   PHE   50  OK   100   100 100 100  2.5-3.0   2359=100, 2370/1.8=89, 281/2.5=88, 779/772=61...(13)
      HG2   ARG   44 - HB2   PHE   50  far    0    97   0   -  9.2-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2017 from c13no.peaks (6.90, 2.61, 40.84 ppm; 3.72 A):
    1 out of 3 assignments used, quality = 1.00:
      H     PHE   50 + HB3   PHE   50  OK   100   100 100 100  2.4-2.6   775=99, 772/1.8=86, 779/2370=39, ~81=30...(9)
      QD    PHE   92 - HB3   PHE   50  far    0    85   0   -  6.3-7.3
      HE22  GLN   64 - HB3   PHE   50  far    0    63   0   -  9.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2018 from c13no.peaks (7.72, 2.61, 40.84 ppm; 5.11 A):
    1 out of 3 assignments used, quality = 1.00:
      H     HIS   51 + HB3   PHE   50  OK   100   100 100 100  3.9-4.1   4.6=100
      H     GLU   90 - HB3   PHE   50  far    0    65   0   -  9.4-10.4
      H     ALA   63 - HB3   PHE   50  far    0    99   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2019 from c13no.peaks (7.02, 2.61, 40.84 ppm; 3.73 A):
    1 out of 3 assignments used, quality = 1.00:
      QD    PHE   50 + HB3   PHE   50  OK   100   100 100 100  2.3-2.5   2.5=100
      QE    PHE   92 - HB3   PHE   50  far    0    60   0   -  8.2-9.0
      HD2   HIS   51 - HB3   PHE   50  far    0    89   0   -  8.4-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2020 from c13no.peaks (7.28, 2.61, 40.84 ppm; 4.73 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    PHE   50 + HB3   PHE   50  OK    99    99 100 100  4.4-4.4   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2021 from c13no.peaks (6.90, 3.26, 40.84 ppm; 3.70 A):
    1 out of 3 assignments used, quality = 1.00:
      H     PHE   50 + HB2   PHE   50  OK   100   100 100 100  2.4-2.7   772=100, 775/1.8=84, 779/2359=38, 4.6/781=31...(10)
      QD    PHE   92 - HB2   PHE   50  far    0    85   0   -  7.5-8.3
      HE22  GLN   64 - HB2   PHE   50  far    0    63   0   -  8.4-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2022 from c13no.peaks (7.02, 3.26, 40.84 ppm; 3.80 A):
    1 out of 3 assignments used, quality = 1.00:
      QD    PHE   50 + HB2   PHE   50  OK   100   100 100 100  2.3-2.5   2.5=100
      HD2   HIS   51 - HB2   PHE   50  far    0    89   0   -  9.1-9.2
      QE    PHE   92 - HB2   PHE   50  far    0    60   0   -  9.2-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2023 from c13no.peaks (7.29, 3.26, 40.84 ppm; 4.85 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    PHE   50 + HB2   PHE   50  OK   100   100 100 100  4.4-4.4   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2024 from c13no.peaks (7.71, 3.26, 40.84 ppm; 5.10 A):
    1 out of 2 assignments used, quality = 0.97:
      H     HIS   51 + HB2   PHE   50  OK    97    97 100 100  4.0-4.1   4.6=100
      H     ALA   63 - HB2   PHE   50  far    0    93   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2025 from c13no.peaks (8.05, 2.61, 40.84 ppm; 5.40 A):
    1 out of 1 assignment used, quality = 0.87:
      H     CYS   49 + HB3   PHE   50  OK    87    87 100 100  4.4-5.0   141/775=85, 2026/1.8=80, 756/3.0=65, 6.7=52...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 2026 from c13no.peaks (8.04, 3.26, 40.84 ppm; 5.41 A):
    1 out of 1 assignment used, quality = 0.96:
      H     CYS   49 + HB2   PHE   50  OK    96    96 100 100  4.2-4.8   141/772=93, 2025/1.8=81, 756/3.0=72, 6.7=53...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2027 from c13no.peaks (6.90, 4.14, 60.10 ppm; 3.86 A):
    1 out of 4 assignments used, quality = 1.00:
      H     PHE   50 + HA    PHE   50  OK   100   100 100 100  2.8-2.8   3.0=100
      QD    PHE   92 - HA    PHE   50  far    0    85   0   -  8.1-9.1
      HE22  GLN   64 - HA    PHE   50  far    0    63   0   -  8.9-10.0
      HE22  GLN  107 - HA    GLU   99  far    0    86   0   -  9.6-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2028 from c13no.peaks (7.02, 4.14, 60.10 ppm; 3.77 A):
    1 out of 3 assignments used, quality = 1.00:
      QD    PHE   50 + HA    PHE   50  OK   100   100 100 100  2.6-3.1   3.7=100
      HD2   HIS   51 - HA    PHE   50  far    0    89   0   -  7.3-7.4
      QE    PHE   92 - HA    PHE   50  far    0    60   0   -  9.5-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2029 from c13no.peaks (7.72, 4.14, 60.10 ppm; 3.28 A):
    1 out of 1 assignment used, quality = 1.00:
      H     HIS   51 + HA    PHE   50  OK   100   100 100 100  2.2-2.2   796=100, 75/81=41, 781/3.0=35, 784/2038=25...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2030 from c13no.peaks (9.55, 4.15, 59.94 ppm; 4.08 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   99 + HA    GLU   99  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2031 from c13no.peaks (7.37, 4.15, 59.94 ppm; 3.93 A):
    1 out of 3 assignments used, quality = 1.00:
      H     ILE  100 + HA    GLU   99  OK   100   100 100 100  3.5-3.5   3.6=100
      H     ARG  103 - HA    GLU   99  far    0    98   0   -  4.6-4.9
      QE    PHE   47 - HA    PHE   50  far    0    85   0   -  7.3-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2032 from c13no.peaks (8.48, 4.15, 59.94 ppm; 5.04 A increased from 4.48 A):
    1 out of 2 assignments used, quality = 0.90:
      H     GLN  101 + HA    GLU   99  OK    90    90 100 100  4.9-5.1   454/3.6=82, 453/3.0=65, 469/5.3=46, 467/2033=46...(12)
      H     GLY  127 - HA    GLU   99  far    0    98   0   -  7.5-22.1
    Violated in 4 structures by 0.01 A.
 
    Peak 2033 from c13no.peaks (8.09, 4.14, 60.10 ppm; 4.34 A):
    1 out of 2 assignments used, quality = 0.64:
      H     ALA  102 + HA    GLU   99  OK    64    79 100  81  4.0-4.3   2241/3.4=39, 3437/5.3=34, 467/2032=29, 3533/8.3=14...(6)
      H     GLY  106 - HA    GLU   99  far    0    52   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2034 from c13no.peaks (0.90, 4.15, 59.94 ppm; 4.54 A):
    0 out of 5 assignments used, quality = 0.00:
      QD1   ILE  100 + HA    GLU   99  far    0    71   0   -  5.5-6.1
      QG2   ILE  100 + HA    GLU   99  far    0   100   0   -  6.1-6.1
      HB3   LEU   96 + HA    GLU   99  far    0    92   0   -  7.6-7.7
      QG1   VAL   88 + HA    PHE   50  far    0    85   0   -  8.8-10.4
      QD1   LEU  118 + HA    GLU   99  far    0    65   0   -  9.5-9.8
    Violated in 20 structures by 0.70 A.
 
    Peak 2035 from c13no.peaks (0.59, 4.15, 59.94 ppm; 4.94 A):
    1 out of 1 assignment used, quality = 0.85:
      QD2   LEU   65 + HA    PHE   50  OK    85    85 100 100  4.2-4.7   281/81=87, 2370/3.0=84, 2359/3.0=83, 779/3.0=78...(7)
    Violated in 2 structures by 0.00 A.
 
    Peak 2036 from c13no.peaks (0.46, 4.15, 59.94 ppm; 5.23 A):
    0 out of 1 assignment used, quality = 0.00:
      QD1   LEU   62 + HA    PHE   50  far    0    65   0   -  9.3-11.9
    Violated in 20 structures by 5.41 A.
 
    Peak 2037 from c13no.peaks (2.96, 2.87, 31.29 ppm; 2.50 A):
    1 out of 1 assignment used, quality = 1.00:
      HB2   HIS   51 + HB3   HIS   51  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2038 from c13no.peaks (4.13, 2.87, 31.29 ppm; 4.65 A):
    1 out of 1 assignment used, quality = 0.95:
      HA    PHE   50 + HB3   HIS   51  OK    95    97 100  97  4.0-4.1   796/784=75, 2041/1.8=58, 6.4=37, 81/6.4=36
    Violated in 0 structures by 0.00 A.
 
    Peak 2039 from c13no.peaks (4.73, 2.87, 31.29 ppm; 3.56 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    HIS   51 + HB3   HIS   51  OK   100   100 100 100  2.7-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2040 from c13no.peaks (2.88, 2.96, 31.29 ppm; 2.47 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   HIS   51 + HB2   HIS   51  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   CYS   49 - HB2   HIS   51  far    0   100   0   -  7.7-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2041 from c13no.peaks (4.13, 2.96, 31.29 ppm; 5.48 A increased from 4.62 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    PHE   50 + HB2   HIS   51  OK    97    97 100 100  5.4-5.4   2038/1.8=96, 796/782=88, 6.4=61, 81/6.4=53
    Violated in 0 structures by 0.00 A.
 
    Peak 2042 from c13no.peaks (2.28, 2.87, 31.29 ppm; 4.31 A):
    0 out of 3 assignments used, quality = 0.00:
      HB2   GLN   64 + HB3   HIS   51  far    0   100   0   -  9.3-9.8
      QG    GLU   54 + HB3   HIS   51  far    0    93   0   -  9.3-10.3
      HG2   PRO   97 + HB3   HIS   51  far    0    99   0   -  9.4-11.9
    Violated in 20 structures by 4.02 A.
 
    Peak 2043 from c13no.peaks (2.15, 2.87, 31.29 ppm; 5.41 A increased from 4.56 A):
    1 out of 2 assignments used, quality = 1.00:
      QG    GLU   53 + HB3   HIS   51  OK   100   100 100 100  5.2-5.2   2086/1.8=80, 2089/4.0=76, 258/5.3=53, 2084/6.1=49...(8)
      HB3   GLN   64 - HB3   HIS   51  far    0    98   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2044 from c13no.peaks (2.02, 2.87, 31.29 ppm; 4.63 A):
    0 out of 1 assignment used, quality = 0.00:
      HB3   PRO   97 + HB3   HIS   51  far    0    98   0   -  8.2-10.2
    Violated in 20 structures by 4.99 A.
 
    Peak 2045 from c13no.peaks (1.85, 2.87, 31.29 ppm; 5.50 A):
    0 out of 2 assignments used, quality = 0.00:
      HG2   GLN   91 + HB3   HIS   51  far    0    92   0   -  7.5-9.0
      HG    LEU   96 + HB3   HIS   51  far    0    81   0   -  9.3-10.1
    Violated in 20 structures by 2.42 A.
 
    Peak 2046 from c13no.peaks (1.62, 2.87, 31.29 ppm; 4.87 A):
    1 out of 3 assignments used, quality = 0.97:
      QB    ALA   95 + HB3   HIS   51  OK    97    97 100 100  4.0-4.4   1718/3.0=83, 1727/2054=65, 2051/1.8=58, 787/784=51...(11)
      QG    ARG   48 - HB3   HIS   51  far    0   100   0   -  8.3-10.5
      QG    ARG   46 - HB3   HIS   51  far    0    71   0   -  9.2-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2047 from c13no.peaks (2.28, 2.96, 31.29 ppm; 4.35 A):
    0 out of 2 assignments used, quality = 0.00:
      HG2   PRO   97 + HB2   HIS   51  far    0    99   0   -  7.7-10.2
      QG    GLU   54 + HB2   HIS   51  far    0    93   0   -  8.3-9.4
    Violated in 20 structures by 3.72 A.
 
    Peak 2048 from c13no.peaks (2.13, 2.96, 31.29 ppm; 5.41 A increased from 4.56 A):
    1 out of 1 assignment used, quality = 0.83:
      QG    GLU   53 + HB2   HIS   51  OK    83    83 100 100  5.3-5.4   2086=79, 2089/4.0=63, 2043/1.8=63, 2092/5.3=43...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2049 from c13no.peaks (2.02, 2.96, 31.29 ppm; 4.80 A):
    0 out of 3 assignments used, quality = 0.00:
      HB3   PRO   97 + HB2   HIS   51  far    0    98   0   -  6.5-8.5
      HG3   GLN  101 + HB2   HIS   51  far    0    65   0   -  8.7-9.9
      QB    GLU   54 + HB2   HIS   51  far    0    99   0   -  9.8-10.2
    Violated in 20 structures by 2.52 A.
 
    Peak 2050 from c13no.peaks (1.78, 2.96, 31.29 ppm; 5.04 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   GLU   53 + HB2   HIS   51  far    0    95   0   -  7.8-8.0
      QB    ARG   48 + HB2   HIS   51  far    0   100   0   -  8.9-9.6
    Violated in 20 structures by 2.48 A.
 
    Peak 2051 from c13no.peaks (1.61, 2.96, 31.29 ppm; 5.20 A):
    1 out of 3 assignments used, quality = 0.99:
      QB    ALA   95 + HB2   HIS   51  OK    99    99 100 100  3.2-3.8   1718/3.0=91, 792/790=76, 2046/1.8=70, 787/782=60...(11)
      QG    ARG   48 - HB2   HIS   51  far    0    96   0   -  8.5-11.0
      HG12  ILE  100 - HB2   HIS   51  far    0    60   0   -  9.2-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2052 from c13no.peaks (7.04, 2.87, 31.29 ppm; 4.41 A):
    1 out of 3 assignments used, quality = 1.00:
      HD2   HIS   51 + HB3   HIS   51  OK   100   100 100 100  3.9-3.9   4.0=100
      QD    PHE   50 - HB3   HIS   51  far    0    95   0   -  4.9-5.3
      QE    PHE   92 - HB3   HIS   51  far    0    96   0   -  9.3-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2054 from c13no.peaks (8.30, 2.87, 31.29 ppm; 4.34 A):
    1 out of 1 assignment used, quality = 1.00:
      H     TYR   52 + HB3   HIS   51  OK   100   100 100 100  4.3-4.3   790/1.8=88, 151/3.0=82, 4.6=82, 4.6/784=49...(12)
    Violated in 2 structures by 0.00 A.
 
    Peak 2055 from c13no.peaks (7.73, 2.87, 31.29 ppm; 3.96 A):
    1 out of 1 assignment used, quality = 0.99:
      H     HIS   51 + HB3   HIS   51  OK    99    99 100 100  2.5-2.7   4.0=97, 782/1.8=76, 796/2038=45, 4.6/2054=37...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2056 from c13no.peaks (7.04, 2.96, 31.29 ppm; 4.41 A):
    1 out of 3 assignments used, quality = 1.00:
      HD2   HIS   51 + HB2   HIS   51  OK   100   100 100 100  2.8-2.8   4.0=100
      QD    PHE   50 - HB2   HIS   51  far    0    95   0   -  5.3-5.9
      QE    PHE   92 - HB2   HIS   51  far    0    96   0   -  8.6-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2057 from c13no.peaks (7.73, 2.96, 31.29 ppm; 3.92 A):
    1 out of 1 assignment used, quality = 0.99:
      H     HIS   51 + HB2   HIS   51  OK    99    99 100 100  3.7-3.8   782=98, 784/1.8=82, 4.6/790=38, 796/2041=32...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2058 from c13no.peaks (8.30, 2.96, 31.29 ppm; 4.30 A):
    1 out of 1 assignment used, quality = 0.99:
      H     TYR   52 + HB2   HIS   51  OK    99    99 100 100  3.1-3.3   790=95, 151/3.0=81, 2054/1.8=76, 4.6/782=48...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2059 from c13no.peaks (1.61, 2.78, 39.76 ppm; 4.35 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    ALA   95 + QB    TYR   52  OK   100   100 100 100  2.7-3.0   1713=100, 1727/791=70, 1717/2.5=70, 1111/1114=50...(17)
      QG    ARG   48 - QB    TYR   52  far    0   100   0   -  9.4-10.9
      QG    ARG   66 - QB    TYR   52  far    0    76   0   -  9.8-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2060 from c13no.peaks (-0.07, 2.78, 39.76 ppm; 4.63 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + QB    TYR   52  OK   100   100 100 100  1.9-2.9   1749=100, 252/2.1=96, 240/3.9=67, 3311/1713=53...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2061 from c13no.peaks (3.81, 2.78, 39.76 ppm; 4.82 A):
    1 out of 7 assignments used, quality = 0.99:
      HD2   PRO   97 + QB    TYR   52  OK    99    99 100 100  2.9-3.6   40/2.1=98, ~241=71, 1.8/3382=67, 1751/1749=64...(12)
      HA    GLU   54 - QB    TYR   52  far    0    85   0   -  6.0-6.3
      HA2   GLY   94 - QB    TYR   52  far    0    73   0   -  7.0-7.4
      HD3   PRO   98 - QB    TYR   52  far    0    76   0   -  7.9-8.4
      HD3   PRO   58 - QB    TYR   52  far    0   100   0   -  8.1-8.2
      HA    ARG   48 - QB    TYR   52  far    0    78   0   -  9.0-9.7
      HA    GLU  113 - QB    TYR   52  far    0    93   0   -  9.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2062 from c13no.peaks (1.54, 4.10, 59.08 ppm; 3.45 A):
    1 out of 7 assignments used, quality = 0.40:
      QB    ALA  117 + HA    GLU  114  OK    40    59 100  68  2.7-3.1   1296/577=50, ~1292=19, 1693/6.4=14, 5.6/3882=9
      QB    ALA   63 - HA    GLN   64  far    0    62   0   -  3.7-3.9
      HB3   LEU   68 - HA    GLN   64  far    0    50   0   -  4.7-6.5
      HB2   LEU   96 - HA    TYR   52  far    0    99   0   -  7.3-8.2
      QB    ALA   63 - HA    TYR   52  far    0    95   0   -  8.5-9.5
      HG3   ARG   70 - HA    GLN   64  far    0    67   0   -  9.1-11.0
      QG    ARG  108 - HA    GLU  114  far    0    65   0   -  9.9-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2063 from c13no.peaks (6.83, 2.78, 39.76 ppm; 3.81 A):
    1 out of 1 assignment used, quality = 0.98:
      QD    TYR   52 + QB    TYR   52  OK    98    98 100 100  2.1-2.2   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2064 from c13no.peaks (6.55, 2.78, 39.76 ppm; 4.65 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   52 + QB    TYR   52  OK   100   100 100 100  3.9-4.0   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2065 from c13no.peaks (7.30, 2.78, 39.76 ppm; 5.09 A):
    1 out of 1 assignment used, quality = 0.97:
      QE    PHE   50 + QB    TYR   52  OK    97    97 100 100  3.5-4.1   72/2.5=92, 60/2.1=90, 262=84, 267/1713=68...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2066 from c13no.peaks (8.30, 2.78, 39.76 ppm; 3.88 A):
    1 out of 1 assignment used, quality = 1.00:
      H     TYR   52 + QB    TYR   52  OK   100   100 100 100  2.2-2.2   3.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2067 from c13no.peaks (8.45, 2.78, 39.76 ppm; 4.59 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   53 + QB    TYR   52  OK   100   100 100 100  3.7-3.8   4.0=100
      H     GLU   54 - QB    TYR   52  far    0    93   0   -  5.1-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2068 from c13no.peaks (6.55, 4.10, 59.08 ppm; 5.06 A increased from 4.76 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   52 + HA    TYR   52  OK   100   100 100 100  4.4-4.9   2.2/41=100, 5.7=71, ~62=54, ~149=52...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2069 from c13no.peaks (6.83, 4.10, 59.08 ppm; 3.83 A):
    1 out of 2 assignments used, quality = 0.92:
      QD    TYR   52 + HA    TYR   52  OK    92    92 100 100  2.1-3.0   3.7=100
      QD    TYR   52 - HA    GLN   64  far    0    59   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2070 from c13no.peaks (7.03, 4.10, 59.08 ppm; 4.65 A):
    2 out of 6 assignments used, quality = 1.00:
      HD2   HIS   51 + HA    TYR   52  OK    96   100 100  96  4.6-4.6   69=57, 2089/2084=57, 67/5.4=44, 152/3.0=33...(6)
      QD    PHE   50 + HA    TYR   52  OK    94    97  98 100  4.0-4.7   2.2/2071=85, ~262=52, 1722/1717=46, ~2065=42...(10)
      QE    PHE   92 - HA    TYR   52  poor  17    93  35  53  3.9-5.3   109/2068=44, 110/978=15
      QD    PHE   50 - HA    GLN   64  far    0    64   0   -  5.8-6.4
      QE    PHE   92 - HA    GLU  114  far    0    59   0   -  6.8-7.5
      QE    PHE   92 - HA    GLN   64  far    0    61   0   -  9.3-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2071 from c13no.peaks (7.30, 4.10, 59.08 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 0.99:
      QE    PHE   50 + HA    TYR   52  OK    99   100 100 100  2.5-3.4   72=78, 262/2.5=67, 60/41=54, 797/2073=41...(9)
      QE    PHE   50 - HA    GLN   64  far    0    69   0   -  4.7-5.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2072 from c13no.peaks (8.30, 4.10, 59.08 ppm; 3.88 A):
    1 out of 2 assignments used, quality = 1.00:
      H     TYR   52 + HA    TYR   52  OK   100   100 100 100  2.8-2.9   3.0=100
      H     GLN   71 - HA    GLN   64  far    0    68   0   -  8.4-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2073 from c13no.peaks (8.45, 4.10, 59.08 ppm; 3.24 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU   53 + HA    TYR   52  OK    99   100 100  99  2.1-2.2   799=94, 61/41=44, 2093/2084=32, 797/2071=20...(7)
      H     GLU   54 - HA    TYR   52  far    0    93   0   -  5.4-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2075 from c13no.peaks (1.26, 4.23, 55.13 ppm; 4.14 A):
    1 out of 3 assignments used, quality = 0.96:
      QB    ALA  116 + HA    ALA  117  OK    96    96 100 100  3.8-3.9   1624=98, 1294/2.9=79, 856/868=42, 850/845=38...(8)
      QG2   THR   56 - HA    GLU   53  far    0    65   0   -  4.4-4.7
      QB    ALA  116 - HA    GLU   53  far    0    98   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2076 from c13no.peaks (1.79, 2.15, 36.37 ppm; 2.72 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   GLU   53 + QG    GLU   53  OK   100   100 100 100  2.4-2.4   2.5=100
      HG2   ARG  123 - QG    GLU   53  far    0    63   0   -  9.6-11.2
      HB    ILE  100 - QG    GLU   53  far    0    81   0   -  9.6-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2077 from c13no.peaks (1.44, 2.15, 36.37 ppm; 3.62 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ALA   55 + QG    GLU   53  far    0    99   0   -  4.3-4.6
    Violated in 20 structures by 0.85 A.
 
    Peak 2078 from c13no.peaks (1.29, 2.15, 36.37 ppm; 3.94 A):
    1 out of 3 assignments used, quality = 0.98:
      QG2   THR   56 + QG    GLU   53  OK    98    99 100 100  1.9-2.4   2.1/2103=68, 2081/2.5=60, 1766=56, 2082/2.5=53...(13)
      HG3   GLN   91 - QG    GLU   53  far    0    96   0   -  8.5-10.8
      HB3   LEU   62 - QG    GLU   53  far    0    76   0   -  8.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2079 from c13no.peaks (0.92, 2.15, 36.37 ppm; 5.02 A):
    0 out of 3 assignments used, quality = 0.00:
      QG2   ILE  100 + QG    GLU   53  far    0    87   0   -  8.4-9.2
      QG1   VAL   88 + QG    GLU   53  far    0    97   0   -  9.0-10.5
      HB3   LEU   96 + QG    GLU   53  far    0   100   0   -  9.5-10.0
    Violated in 20 structures by 2.84 A.
 
    Peak 2080 from c13no.peaks (2.15, 1.79, 30.22 ppm; 2.89 A):
    1 out of 4 assignments used, quality = 1.00:
      QG    GLU   53 + HB3   GLU   53  OK   100   100 100 100  2.4-2.4   2.5=100
      HG3   MET   83 - HG2   ARG   78  far    0    76   0   -  4.9-6.4
      HB2   GLU   60 - HB3   GLU   53  far    0    57   0   -  6.4-7.7
      HB3   GLN   64 - HB3   GLU   53  far    0    92   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2081 from c13no.peaks (1.30, 1.79, 30.22 ppm; 4.16 A):
    1 out of 2 assignments used, quality = 0.93:
      QG2   THR   56 + HB3   GLU   53  OK    93    93 100 100  2.6-3.5   2078/2.5=70, 2082/1.8=68, 2.1/2101=60, ~2103=43...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2082 from c13no.peaks (1.30, 1.97, 30.22 ppm; 4.48 A increased from 4.22 A):
    1 out of 4 assignments used, quality = 0.93:
      QG2   THR   56 + HB2   GLU   53  OK    93    93 100 100  4.0-4.5   2081/1.8=85, 2078/2.5=78, ~2101=52, ~2103=50...(11)
     ?HB3   LEU   73 - QB    ARG   70  far    4    71   5   -  4.6-7.2
      HB3   LEU   62 - QB    ARG   70  far    0    72   0   -  9.1-10.0
      HG3   GLN   91 - QB    ARG   70  far    0    70   0   -  9.6-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2083 from c13no.peaks (1.54, 1.97, 30.22 ppm; 3.43 A):
    1 out of 4 assignments used, quality = 0.72:
      HG3   ARG   70 + QB    ARG   70  OK    72    72 100 100  2.1-2.1   2.5=100
      QB    ALA   63 - QB    ARG   70  far    0    86   0   -  7.3-8.0
      HB3   ARG   78 - QB    ARG   70  far    0    72   0   -  8.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2084 from c13no.peaks (4.10, 2.15, 36.37 ppm; 4.22 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    TYR   52 + QG    GLU   53  OK    99   100 100  99  3.2-3.3   2073/2093=71, 41/2088=49, 5.4/96=41, 6.2=31...(10)
      HD2   PRO   58 - QG    GLU   53  far    0    98   0   -  7.3-7.7
      HA    GLN   64 - QG    GLU   53  far    0    83   0   -  8.7-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2085 from c13no.peaks (3.83, 2.15, 36.37 ppm; 5.50 A increased from 5.18 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    GLU   54 + QG    GLU   53  OK   100   100 100 100  5.4-5.5   2182/3.3=80, 6.1=72, 2186/814=65, 2183/2087=62...(15)
      HD2   PRO   97 - QG    GLU   53  far    0    99   0   -  6.8-7.9
      HD3   PRO   58 - QG    GLU   53  far    0    97   0   -  8.0-8.2
    Violated in 2 structures by 0.00 A.
 
    Peak 2086 from c13no.peaks (2.96, 2.15, 36.37 ppm; 5.50 A increased from 5.03 A):
    1 out of 1 assignment used, quality = 1.00:
      HB2   HIS   51 + QG    GLU   53  OK   100   100 100 100  5.3-5.4   1.8/2043=84, 2048=83, 4.0/2089=78, 5.3/258=58...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2087 from c13no.peaks (6.55, 2.15, 36.37 ppm; 5.50 A increased from 5.20 A):
    1 out of 1 assignment used, quality = 0.82:
      QE    TYR   52 + QG    GLU   53  OK    82    99  83 100  5.0-5.6   2.2/2088=89, 236/2078=67, 2068/2084=64, 2183/2085=62...(12)
    Violated in 8 structures by 0.03 A.
 
    Peak 2088 from c13no.peaks (6.82, 2.15, 36.37 ppm; 4.86 A increased from 4.58 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    TYR   52 + QG    GLU   53  OK    99    99 100 100  3.8-4.7   61/2093=80, 41/2084=75, 2.2/2087=61, 248/2078=54...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2089 from c13no.peaks (7.04, 2.15, 36.37 ppm; 4.21 A):
    1 out of 3 assignments used, quality = 0.95:
      HD2   HIS   51 + QG    GLU   53  OK    95   100 100  95  4.0-4.2   67/96=60, 4.2/258=45, 4.0/2043=36, 4.0/2086=35...(7)
      QD    PHE   50 - QG    GLU   53  far    0    93   0   -  4.9-5.4
      QE    PHE   92 - QG    GLU   53  far    0    97   0   -  6.0-6.9
    Violated in 2 structures by 0.00 A.
 
    Peak 2090 from c13no.peaks (7.27, 2.15, 36.37 ppm; 5.27 A):
    1 out of 2 assignments used, quality = 0.73:
      QE    PHE   50 + QG    GLU   53  OK    73    76 100  97  3.7-4.2   797/2093=52, 72/2084=44, 262/6.0=37, 265=33...(8)
      QD    PHE   47 - QG    GLU   53  far    0    73   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2091 from c13no.peaks (7.73, 2.15, 36.37 ppm; 4.12 A):
    1 out of 3 assignments used, quality = 0.94:
      H     THR   56 + QG    GLU   53  OK    94    95 100 100  3.6-4.0   814=91, 2119/2103=52, 2096/2.5=52, 2094/2.5=51...(9)
      H     HIS   51 - QG    GLU   53  far    2   100   3   -  4.2-4.7
      H     ALA   63 - QG    GLU   53  far    0   100   0   -  8.1-9.1
    Violated in 1 structures by 0.00 A.
 
    Peak 2092 from c13no.peaks (8.15, 2.15, 36.37 ppm; 4.88 A):
    1 out of 2 assignments used, quality = 1.00:
      HE1   HIS   51 + QG    GLU   53  OK   100   100 100 100  2.7-3.1   258=90, 259/2.5=84, 260/2.5=74, 4.2/2089=62...(7)
      H     GLN   64 - QG    GLU   53  far    0    68   0   -  7.6-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2093 from c13no.peaks (8.45, 2.15, 36.37 ppm; 3.42 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   53 + QG    GLU   53  OK   100   100 100 100  1.9-2.0   801=62, 3.0/96=57, 2095/2.5=55, 2097/2.5=52...(15)
      H     GLU   54 - QG    GLU   53  far    0    97   0   -  4.6-4.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2094 from c13no.peaks (7.74, 1.79, 30.22 ppm; 4.86 A):
    1 out of 2 assignments used, quality = 0.85:
      H     THR   56 + HB3   GLU   53  OK    85    85 100 100  2.5-2.9   816=85, 2091/2.5=84, 2096/1.8=73, 4.0/2081=65...(9)
      H     HIS   51 - HB3   GLU   53  far    0    97   0   -  7.3-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2095 from c13no.peaks (8.46, 1.79, 30.22 ppm; 3.61 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU   53 + HB3   GLU   53  OK    99    99 100 100  3.3-3.6   3.9=81, 2097/1.8=69, 2093/2.5=65, 4.5/1343=28...(10)
      H     GLU   54 - HB3   GLU   53  poor  18    89  20   -  3.6-4.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2096 from c13no.peaks (7.72, 1.97, 30.22 ppm; 4.82 A):
    1 out of 3 assignments used, quality = 0.99:
      H     THR   56 + HB2   GLU   53  OK    99    99 100 100  4.2-4.7   815=91, 2091/2.5=83, 816/1.8=79, 1707/1709=74...(7)
      H     HIS   51 - HB2   GLU   53  far    0   100   0   -  6.2-7.0
      H     ALA   63 - QB    ARG   70  far    0    86   0   -  9.3-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2097 from c13no.peaks (8.46, 1.97, 30.22 ppm; 3.74 A increased from 3.52 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLU   53 + HB2   GLU   53  OK    99    99 100 100  3.6-3.7   3.9=90, 2095/1.8=77, 2093/2.5=69, ~96=29...(8)
      H     GLU   54 - HB2   GLU   53  far    2    89   3   -  3.8-4.2
      H     ARG   44 - QB    ARG   70  far    0    46   0   -  8.7-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2098 from c13no.peaks (8.33, 1.97, 30.22 ppm; 3.79 A):
    1 out of 2 assignments used, quality = 0.53:
      H     GLN   71 + QB    ARG   70  OK    53    53 100  99  2.4-2.9   4.0=82, 222/3.3=39, 285/2.5=33, 273/3.3=29...(15)
      H     ARG   74 - QB    ARG   70  far    0    74   0   -  4.3-4.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2100 from c13no.peaks (8.46, 4.23, 55.13 ppm; 3.39 A):
    2 out of 2 assignments used, quality = 1.00:
      H     GLU   53 + HA    GLU   53  OK    99    99 100 100  2.9-2.9   3.0=100
      H     GLU   54 + HA    GLU   53  OK    86    89 100  97  2.1-2.2   718=87, 4.4/96=35, 3.0/2182=30, 1343/3.0=23...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2101 from c13no.peaks (1.80, 4.29, 69.72 ppm; 4.58 A):
    1 out of 1 assignment used, quality = 0.97:
      HB3   GLU   53 + HB    THR   56  OK    97    97 100 100  3.1-4.0   2.5/2103=80, 2081/2.1=80, ~2082=55, ~2078=53...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2102 from c13no.peaks (2.00, 4.29, 69.72 ppm; 4.06 A):
    0 out of 3 assignments used, quality = 0.00:
      HB3   GLU   60 + HB    THR   56  far    0    98   0   -  4.4-5.6
      HB2   GLU   53 + HB    THR   56  far    0    78   0   -  4.5-5.5
      QB    GLU   54 + HB    THR   56  far    0    78   0   -  6.8-7.2
    Violated in 20 structures by 0.60 A.
 
    Peak 2103 from c13no.peaks (2.15, 4.29, 69.72 ppm; 4.01 A):
    1 out of 3 assignments used, quality = 0.96:
      QG    GLU   53 + HB    THR   56  OK    96   100  98  99  2.9-4.0   2078/2.1=72, 2.5/2101=54, 2091/2119=48, ~2081=38...(8)
      HB2   GLU   60 - HB    THR   56  far    0    78   0   -  4.4-5.1
      HB3   GLN   64 - HB    THR   56  far    0    99   0   -  8.2-9.4
    Violated in 4 structures by 0.02 A.
 
    Peak 2104 from c13no.peaks (2.41, 4.29, 69.72 ppm; 4.22 A):
    0 out of 2 assignments used, quality = 0.00:
      HG2   GLU   60 + HB    THR   56  far    0   100   0   -  4.6-5.5
      HB2   PRO   58 + HB    THR   56  far    0    92   0   - 10.0-10.2
    Violated in 20 structures by 1.14 A.
 
    Peak 2105 from c13no.peaks (2.37, 4.29, 69.72 ppm; 4.34 A):
    1 out of 2 assignments used, quality = 0.94:
      HG3   GLU   60 + HB    THR   56  OK    94    95 100 100  3.5-4.0   1765/2.1=83, ~2231=58, ~1767=45, ~2233=42...(12)
      HB2   PRO   58 - HB    THR   56  far    0    68   0   - 10.0-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2106 from c13no.peaks (1.44, 4.25, 63.14 ppm; 4.28 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    ALA   55 + HA    THR   56  OK   100   100 100 100  3.9-4.0   4.6=81, 1707/3.0=76, 826/3.6=51, 5.5/704=41...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2107 from c13no.peaks (2.15, 4.25, 63.14 ppm; 4.84 A increased from 4.55 A):
    1 out of 2 assignments used, quality = 0.78:
      HB2   GLU   60 + HA    THR   56  OK    78    78 100 100  4.4-4.8   1.8/2109=75, 3.0/2108=63, 2236/3.2=62, ~1767=58...(11)
      QG    GLU   53 - HA    THR   56  far    0   100   0   -  5.1-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2108 from c13no.peaks (2.35, 4.25, 63.14 ppm; 5.02 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   GLU   60 + HA    THR   56  OK   100   100 100 100  4.0-4.7   2229/3.2=83, 3.0/2107=70, 3.0/2109=67, 2105/110=60...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2109 from c13no.peaks (1.99, 4.25, 63.14 ppm; 5.04 A):
    1 out of 4 assignments used, quality = 0.95:
      HB3   GLU   60 + HA    THR   56  OK    95    95 100 100  4.3-5.1   1767/704=88, 1.8/2107=85, 3.0/2108=67, ~2465=59...(11)
      QB    GLU   54 - HA    THR   56  far    0    68   0   -  6.6-6.8
      HB2   GLU   53 - HA    THR   56  far    0    87   0   -  6.6-7.3
      QB    ARG  123 - HA    THR   56  far    0    87   0   -  9.5-10.8
    Violated in 2 structures by 0.00 A.
 
    Peak 2110 from c13no.peaks (1.84, 4.25, 63.14 ppm; 5.28 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2111 from c13no.peaks (3.84, 4.25, 63.14 ppm; 4.83 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    GLU   54 + HA    THR   56  far    0    97   0   -  6.0-6.1
      HD3   PRO   58 + HA    THR   56  far    0    68   0   -  7.0-7.0
    Violated in 20 structures by 0.87 A.
 
    Peak 2112 from c13no.peaks (1.89, 1.43, 19.52 ppm; 3.64 A):
    0 out of 2 assignments used, quality = 0.00:
      QB    ALA   61 + QB    ALA   55  far    0   100   0   -  6.5-7.4
      HB2   ARG  124 + QB    ALA   55  far    0   100   0   -  8.4-13.8
    Violated in 20 structures by 3.33 A.
 
    Peak 2113 from c13no.peaks (3.83, 1.43, 19.52 ppm; 5.20 A increased from 4.63 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    GLU   54 + QB    ALA   55  OK   100   100 100 100  4.9-4.9   4.8=100
      QA    GLY  128 - QB    ALA   55  far    0    99   0   -  6.8-20.0
      HD3   PRO   58 - QB    ALA   55  far    0    90   0   -  8.1-8.2
      HD2   PRO   97 - QB    ALA   55  far    0    95   0   -  8.7-9.5
      HD2   PRO  126 - QB    ALA   55  far    0    98   0   -  9.1-17.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2114 from c13no.peaks (1.30, 4.28, 53.77 ppm; 4.28 A):
    0 out of 1 assignment used, quality = 0.00:
      QG2   THR   56 + HA    ALA   55  far    0    85   0   -  5.2-5.4
    Violated in 20 structures by 1.04 A.
 
    Peak 2115 from c13no.peaks (2.01, 4.28, 53.77 ppm; 4.57 A):
    1 out of 2 assignments used, quality = 0.99:
      QB    GLU   54 + HA    ALA   55  OK    99   100 100  99  3.9-4.0   4.8=87, 808/3.0=79, 2.5/2117=60, 822/2124=33
      HB3   GLU   60 - HA    ALA   55  far    0    97   0   -  8.1-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2116 from c13no.peaks (1.92, 4.28, 53.77 ppm; 5.18 A):
    0 out of 3 assignments used, quality = 0.00:
      HB3   GLU  125 + HA    ALA   55  far    0    95   0   -  7.6-16.3
      HB2   ARG  124 + HA    ALA   55  far    0    71   0   -  8.1-14.8
      QB    ALA   61 + HA    ALA   55  far    0    60   0   -  8.1-9.1
    Violated in 20 structures by 3.04 A.
 
    Peak 2117 from c13no.peaks (3.83, 4.28, 53.77 ppm; 5.04 A increased from 4.74 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    GLU   54 + HA    ALA   55  OK   100   100 100 100  4.8-4.9   5.3=84, 2.5/2115=81, 813/3.6=63, ~808=53...(10)
      QA    GLY  128 - HA    ALA   55  far    0    99   0   -  7.6-22.1
      HD3   PRO   58 - HA    ALA   55  far    0    90   0   -  7.9-8.4
      HD2   PRO  126 - HA    ALA   55  far    0    98   0   -  8.7-18.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2118 from c13no.peaks (7.64, 4.29, 69.72 ppm; 4.09 A):
    1 out of 2 assignments used, quality = 0.62:
      H     GLY   57 + HB    THR   56  OK    62    63 100  99  3.9-4.1   4.3=86, 3.6/110=74, 827/2.1=47, 4.6/2119=44...(9)
      HE21  GLN   64 - HB    THR   56  far    0    99   0   -  5.1-6.3
    Violated in 5 structures by 0.00 A.
 
    Peak 2119 from c13no.peaks (7.73, 4.29, 69.72 ppm; 3.77 A):
    1 out of 3 assignments used, quality = 0.87:
      H     THR   56 + HB    THR   56  OK    87    87 100 100  2.5-2.8   4.0=81, 3.0/110=77, 1773/2.1=65, 2091/2103=40...(9)
      H     HIS   51 - HB    THR   56  far    0    98   0   -  8.3-9.8
      H     ALA   63 - HB    THR   56  far    0    99   0   -  9.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2120 from c13no.peaks (8.47, 4.29, 69.72 ppm; 5.50 A increased from 4.82 A):
    1 out of 2 assignments used, quality = 0.75:
      H     GLU   53 + HB    THR   56  OK    75    83  95  96  4.6-5.6   3.9/2101=74, 4.5/2103=74, 1775/2.1=21, 159/4.3=18
      H     GLN   59 - HB    THR   56  far    0    78   0   -  8.6-8.8
    Violated in 14 structures by 0.05 A.
 
    Peak 2122 from c13no.peaks (7.64, 4.25, 63.14 ppm; 3.66 A):
    1 out of 2 assignments used, quality = 0.81:
      H     GLY   57 + HA    THR   56  OK    81    81 100 100  3.4-3.4   3.6=100
      HE21  GLN   64 - HA    THR   56  far    0    92   0   -  6.4-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2123 from c13no.peaks (7.72, 4.25, 63.14 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 1.00:
      H     THR   56 + HA    THR   56  OK   100   100 100 100  2.9-2.9   3.0=100
      H     ALA   63 - HA    THR   56  far    0    99   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2124 from c13no.peaks (7.59, 4.28, 53.77 ppm; 4.82 A):
    1 out of 1 assignment used, quality = 0.79:
      H     GLY   57 + HA    ALA   55  OK    79    81 100  99  4.1-4.4   826/2.1=65, 821/2117=43, 819/5.4=43, 822/4.8=40...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2125 from c13no.peaks (7.71, 4.28, 53.77 ppm; 3.95 A):
    1 out of 1 assignment used, quality = 1.00:
      H     THR   56 + HA    ALA   55  OK   100   100 100 100  3.5-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2126 from c13no.peaks (8.41, 4.28, 53.77 ppm; 3.97 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ALA   55 + HA    ALA   55  OK    99    99 100 100  2.8-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2127 from c13no.peaks (7.62, 4.42, 45.43 ppm; 4.11 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLY   57 + HA2   GLY   57  OK   100   100 100 100  2.3-2.4   2.9=100
      HE21  GLN   59 - HA2   GLY   57  far    0   100   0   -  6.4-6.7
      H     LEU  122 - HA2   GLY   57  far    0    60   0   -  9.6-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2128 from c13no.peaks (7.62, 4.21, 45.43 ppm; 3.99 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLY   57 + HA3   GLY   57  OK    99    99 100 100  2.9-2.9   2.9=100
      HE21  GLN   59 - HA3   GLY   57  far    0   100   0   -  6.1-6.4
      HE21  GLN   64 - HA3   GLY   57  far    0    60   0   -  8.0-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2129 from c13no.peaks (8.46, 4.21, 45.43 ppm; 5.14 A):
    1 out of 4 assignments used, quality = 0.60:
      H     GLN   59 + HA3   GLY   57  OK    60    60 100  99  3.7-3.9   2130/1.8=90, 831=53, 5.6/2147=49, 834/3.7=45...(7)
      H     GLU   53 - HA3   GLY   57  far    0    95   0   -  6.7-7.0
      H     GLU   54 - HA3   GLY   57  far    0    73   0   -  7.1-7.3
      H     GLY  127 - HA3   GLY   57  far    0    60   0   -  9.3-20.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2130 from c13no.peaks (8.46, 4.42, 45.43 ppm; 4.68 A):
    1 out of 4 assignments used, quality = 0.58:
      H     GLN   59 + HA2   GLY   57  OK    58    60 100  97  4.4-4.5   2129/1.8=68, 170=55, 832/3.7=40, 834/3.7=39...(7)
      H     GLU   54 - HA2   GLY   57  far    0    73   0   -  5.7-6.0
      H     GLU   53 - HA2   GLY   57  far    0    95   0   -  6.0-6.4
      H     GLY  127 - HA2   GLY   57  far    0    60   0   -  8.2-19.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2131 from c13no.peaks (0.97, 2.39, 33.13 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 0.99:
      QG2   VAL  119 + HB2   PRO   58  OK    99    99 100 100  2.6-3.9   2140/1.8=77, 1760/3.0=60, 2.1/2133=52, 1758/3.0=52...(15)
      HG    LEU   65 - HB2   PRO   58  far    0   100   0   -  9.3-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2132 from c13no.peaks (1.25, 2.39, 33.13 ppm; 4.18 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    ALA  116 + HB2   PRO   58  OK   100   100 100 100  1.9-2.1   1620/1.8=92, 2.1/2136=69, 1625/2.3=60, 1621/2.3=54...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 2133 from c13no.peaks (1.09, 2.39, 33.13 ppm; 4.95 A increased from 4.66 A):
    1 out of 2 assignments used, quality = 1.00:
      QG1   VAL  119 + HB2   PRO   58  OK   100   100 100 100  4.2-4.8   2.1/2131=92, 2139/1.8=86, 174/168=81, 163/156=72...(16)
      QG2   VAL   88 - HB2   PRO   58  far    0    85   0   -  9.6-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2134 from c13no.peaks (3.82, 2.39, 33.13 ppm; 4.50 A):
    1 out of 4 assignments used, quality = 1.00:
      HD3   PRO   58 + HB2   PRO   58  OK   100   100 100 100  4.0-4.0   3.0=100
      HA    GLU  113 - HB2   PRO   58  far    0    87   0   -  5.8-6.3
      HA    GLU   54 - HB2   PRO   58  far    0    92   0   -  6.6-7.2
      HD2   PRO   97 - HB2   PRO   58  far    0   100   0   -  9.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2135 from c13no.peaks (4.10, 2.39, 33.13 ppm; 4.53 A):
    1 out of 4 assignments used, quality = 0.97:
      HD2   PRO   58 + HB2   PRO   58  OK    97    97 100 100  3.9-3.9   3.0=100
      HA    TYR   52 - HB2   PRO   58  far    0   100   0   -  7.2-7.9
      HA    GLU  114 - HB2   PRO   58  far    0    93   0   -  7.8-8.1
      HA    ALA   63 - HB2   PRO   58  far    0   100   0   -  8.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2136 from c13no.peaks (3.92, 2.39, 33.13 ppm; 4.32 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    ALA  116 + HB2   PRO   58  OK   100   100 100 100  2.0-2.4   2.1/2132=76, 117/168=65, ~1620=63, ~2138=60...(15)
      HA    ALA  115 - HB2   PRO   58  far    0    96   0   -  6.8-7.1
      HA    LEU   89 - HB2   PRO   58  far    0    97   0   -  9.0-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2137 from c13no.peaks (4.16, 2.39, 33.13 ppm; 4.25 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2138 from c13no.peaks (1.25, 2.07, 33.13 ppm; 3.67 A):
    1 out of 2 assignments used, quality = 0.99:
      QB    ALA  116 + HB3   PRO   58  OK    99    99 100 100  3.2-3.5   1620=99, 2132/1.8=59, 1625/2.3=45, 1621/2.3=43...(18)
      QG2   THR   56 - HB3   PRO   58  far    0    60   0   -  6.0-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2139 from c13no.peaks (1.10, 2.07, 33.13 ppm; 4.38 A):
    1 out of 1 assignment used, quality = 0.98:
      QG1   VAL  119 + HB3   PRO   58  OK    98    98 100 100  3.5-4.0   2.1/2140=81, 174/170=62, 2133/1.8=60, 163/159=56...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 2140 from c13no.peaks (0.97, 2.07, 33.13 ppm; 4.05 A):
    1 out of 2 assignments used, quality = 0.99:
      QG2   VAL  119 + HB3   PRO   58  OK    99    99 100 100  1.8-2.5   2131/1.8=74, 2.1/2139=64, 1760/3.0=59, 1758/3.0=50...(15)
      HG    LEU   65 - HB3   PRO   58  far    0   100   0   -  9.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2141 from c13no.peaks (3.82, 2.07, 33.13 ppm; 4.21 A):
    1 out of 4 assignments used, quality = 1.00:
      HD3   PRO   58 + HB3   PRO   58  OK   100   100 100 100  3.9-3.9   3.0=100
      HA    GLU   54 - HB3   PRO   58  far    0    92   0   -  5.2-5.8
      HA    GLU  113 - HB3   PRO   58  far    0    87   0   -  7.4-7.9
      HD2   PRO   97 - HB3   PRO   58  far    0   100   0   -  8.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2142 from c13no.peaks (4.10, 2.07, 33.13 ppm; 4.23 A):
    1 out of 3 assignments used, quality = 1.00:
      HD2   PRO   58 + HB3   PRO   58  OK   100   100 100 100  3.0-3.0   3.0=100
      HA    TYR   52 - HB3   PRO   58  far    0   100   0   -  6.3-7.1
      HA    GLU  114 - HB3   PRO   58  far    0    98   0   -  9.0-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2143 from c13no.peaks (2.08, 4.09, 50.28 ppm; 4.14 A):
    1 out of 5 assignments used, quality = 0.99:
      HB3   PRO   58 + HD2   PRO   58  OK    99    99 100 100  3.0-3.0   3.0=100
      QB    GLN   59 - HD2   PRO   58  far    0    63   0   -  5.5-5.9
      HB2   GLU  125 - HD2   PRO   58  far    0    76   0   -  7.5-14.5
      HG3   PRO   97 - HD2   PRO   58  far    0    87   0   -  9.2-10.4
      QG    PRO  126 - HD2   PRO   58  far    0    93   0   -  9.2-15.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2144 from c13no.peaks (2.40, 4.09, 50.28 ppm; 4.36 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   PRO   58 + HD2   PRO   58  OK   100   100 100 100  3.9-3.9   3.0=100
      HG2   GLU   60 - HD2   PRO   58  far    0    99   0   -  8.7-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2145 from c13no.peaks (0.97, 4.09, 50.28 ppm; 4.55 A):
    1 out of 1 assignment used, quality = 0.99:
      QG2   VAL  119 + HD2   PRO   58  OK    99    99 100 100  3.0-3.4   1760=98, 1758/1.8=77, 2140/3.0=73, 2131/3.0=72...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2146 from c13no.peaks (3.82, 4.09, 50.28 ppm; 3.21 A):
    1 out of 5 assignments used, quality = 1.00:
      HD3   PRO   58 + HD2   PRO   58  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    GLU   54 - HD2   PRO   58  far    0    92   0   -  3.6-4.0
      HD2   PRO   97 - HD2   PRO   58  far    0   100   0   -  8.9-9.4
      HD2   PRO  126 - HD2   PRO   58  far    0    99   0   -  9.3-15.4
      HA    GLU  113 - HD2   PRO   58  far    0    87   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2147 from c13no.peaks (4.22, 4.09, 50.28 ppm; 3.69 A):
    1 out of 5 assignments used, quality = 0.89:
      HA3   GLY   57 + HD2   PRO   58  OK    89    90 100  99  3.4-3.5   3.7=98, 831/832=38
      HA    ALA  117 - HD2   PRO   58  far    0    89   0   -  6.7-7.2
      HA    THR   56 - HD2   PRO   58  far    0    60   0   -  7.3-7.4
      HA    GLU   53 - HD2   PRO   58  far    0    98   0   -  7.6-7.9
      HA    GLU   60 - HD2   PRO   58  far    0   100   0   -  8.1-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2148 from c13no.peaks (4.43, 4.09, 50.28 ppm; 3.81 A):
    1 out of 2 assignments used, quality = 0.99:
      HA2   GLY   57 + HD2   PRO   58  OK    99    99 100 100  2.3-2.3   3.7=100
      HA    PRO  126 - HD2   PRO   58  far    0    99   0   -  8.1-16.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2149 from c13no.peaks (4.61, 4.09, 50.28 ppm; 4.72 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    PRO   58 + HD2   PRO   58  OK   100   100 100 100  3.6-3.6   3.6=100
      HA    GLU  125 - HD2   PRO   58  far    0    87   0   -  8.6-13.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2150 from c13no.peaks (4.10, 3.81, 50.28 ppm; 3.02 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   PRO   58 + HD3   PRO   58  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    TYR   52 - HD3   PRO   58  far    0   100   0   -  8.5-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2151 from c13no.peaks (4.43, 3.81, 50.28 ppm; 3.86 A):
    1 out of 2 assignments used, quality = 0.99:
      HA2   GLY   57 + HD3   PRO   58  OK    99    99 100 100  2.4-2.5   3.7=100
      HA    PRO  126 - HD3   PRO   58  far    0    99   0   -  8.9-18.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2152 from c13no.peaks (4.61, 3.81, 50.28 ppm; 4.51 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    PRO   58 + HD3   PRO   58  OK   100   100 100 100  4.1-4.1   3.6=100
      HA    GLU  125 - HD3   PRO   58  far    0    87   0   -  8.7-14.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2153 from c13no.peaks (2.09, 3.81, 50.28 ppm; 4.01 A increased from 3.56 A):
    2 out of 4 assignments used, quality = 0.97:
      HB3   PRO   58 + HD3   PRO   58  OK    96    96 100 100  3.9-3.9   3.0=100
      QB    GLN   59 + HD3   PRO   58  OK    26    76  35  98  4.0-4.5   3.3/834=54, 4.0/859=35, ~832=35, 4.0/2162=31...(10)
      HB2   GLU  125 - HD3   PRO   58  far    0    63   0   -  7.2-15.5
      QG    PRO  126 - HD3   PRO   58  far    0    85   0   -  8.4-16.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2154 from c13no.peaks (2.26, 3.81, 50.28 ppm; 3.48 A):
    1 out of 3 assignments used, quality = 1.00:
      HG2   PRO   58 + HD3   PRO   58  OK   100   100 100 100  2.3-2.7   2.3=100
      HB    VAL  119 - HD3   PRO   58  far    0    99   0   -  5.6-6.7
      QG    GLU   54 - HD3   PRO   58  far    0   100   0   -  5.9-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2155 from c13no.peaks (2.40, 3.81, 50.28 ppm; 4.27 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   PRO   58 + HD3   PRO   58  OK   100   100 100 100  4.0-4.0   3.0=100
      HG2   GLU   60 - HD3   PRO   58  far    0    99   0   -  7.8-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2156 from c13no.peaks (0.97, 3.81, 50.28 ppm; 4.70 A increased from 4.18 A):
    1 out of 1 assignment used, quality = 0.99:
      QG2   VAL  119 + HD3   PRO   58  OK    99    99 100 100  4.2-4.5   1758=92, 1760/1.8=90, 2140/3.0=76, 2131/3.0=75...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2157 from c13no.peaks (3.82, 2.26, 27.95 ppm; 3.20 A):
    2 out of 9 assignments used, quality = 1.00:
      HD3   PRO   58 + HG2   PRO   58  OK   100   100 100 100  2.3-2.7   2.3=100
      HD2   PRO   40 + HG2   PRO   40  OK    58    58 100 100  2.3-3.0   2.3=100
      HA    GLU   54 - HG2   PRO   58  far    0    92   0   -  5.7-6.7
      HD2   PRO  126 - HG2   PRO  340  far    0    98   0   -  6.5-47.1
      HA    GLU  113 - HG2   PRO   58  far    0    87   0   -  7.3-8.3
      QA    GLY  128 - HG2   PRO  340  far    0    76   0   -  8.8-27.7
      QA    GLY  128 - HG2   PRO   58  far    0    78   0   -  9.5-19.6
      HD2   PRO   97 - HG2   PRO   58  far    0   100   0   -  9.5-10.9
      HD2   PRO  126 - HG2   PRO   58  far    0    99   0   -  9.8-15.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2158 from c13no.peaks (4.10, 2.26, 27.95 ppm; 3.63 A):
    1 out of 3 assignments used, quality = 1.00:
      HD2   PRO   58 + HG2   PRO   58  OK   100   100 100 100  2.3-3.0   2.3=100
      HA    TYR   52 - HG2   PRO   58  far    0   100   0   -  8.4-9.1
      HA    GLU  114 - HG2   PRO   58  far    0    98   0   -  8.7-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2159 from c13no.peaks (4.60, 2.26, 27.95 ppm; 4.31 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    PRO   58 + HG2   PRO   58  OK    99    99 100 100  3.9-4.0   3.8=100
      HA    GLU  125 - HG2   PRO  340  far    0    93   0   -  4.9-46.9
      HA    GLU  125 - HG2   PRO   58  far    0    95   0   -  9.6-14.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2160 from c13no.peaks (6.55, 3.81, 50.28 ppm; 5.17 A):
    1 out of 1 assignment used, quality = 0.96:
      QE    TYR   52 + HD3   PRO   58  OK    96    96 100 100  4.0-4.3   48/1.8=96, 232/3.0=90, 46/3.6=84, 230/3.0=79...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2161 from c13no.peaks (6.83, 3.81, 50.28 ppm; 4.74 A):
    0 out of 1 assignment used, quality = 0.00:
      QD    TYR   52 + HD3   PRO   58  far    0    90   0   -  6.1-6.3
    Violated in 20 structures by 1.49 A.
 
    Peak 2162 from c13no.peaks (6.93, 3.81, 50.28 ppm; 5.50 A increased from 5.10 A):
    1 out of 2 assignments used, quality = 0.80:
      HE22  GLN   59 + HD3   PRO   58  OK    80    81 100  99  4.7-5.5   164/834=68, ~846=67, 1.7/843=64, 6.8/859=39...(9)
      QD    PHE   92 - HD3   PRO   58  far    0    89   0   -  7.8-8.4
    Violated in 10 structures by 0.01 A.
 
    Peak 2163 from c13no.peaks (7.63, 3.81, 50.28 ppm; 4.99 A):
    2 out of 4 assignments used, quality = 1.00:
      HE21  GLN   59 + HD3   PRO   58  OK    98    99 100 100  3.9-4.3   846/1.8=70, 1.7/2162=69, 843=65, 165/834=64...(9)
      H     GLY   57 + HD3   PRO   58  OK    97    97 100 100  4.6-4.7   4.8=100
      H     LEU  122 - HD3   PRO   58  far    0    85   0   -  8.6-9.1
      HE21  GLN   64 - HD3   PRO   58  far    0    68   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2164 from c13no.peaks (8.51, 3.81, 50.28 ppm; 4.87 A):
    1 out of 3 assignments used, quality = 0.89:
      H     GLN   59 + HD3   PRO   58  OK    89    89 100 100  2.7-2.7   834=89, 832/1.8=84, 836/2.3=82, 2166/2.3=76...(13)
      H     ALA  116 - HD3   PRO   58  far    0   100   0   -  8.1-8.5
      H     GLY  127 - HD3   PRO   58  far    0    89   0   -  9.0-19.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2165 from c13no.peaks (6.91, 2.19, 27.95 ppm; 5.03 A):
    2 out of 4 assignments used, quality = 1.00:
      HE22  GLN   59 + HG3   PRO   58  OK    99   100 100  99  2.7-4.4   ~843=65, 164/2166=54, ~846=52, 2169/2.3=44...(7)
      HZ    PHE   92 + HG3   PRO   58  OK    87    87 100 100  3.9-4.8   2174/2.3=89, 168/2.3=84, ~159=64, ~156=61...(9)
      QD    PHE   92 - HG3   PRO   58  far    0    99   0   -  6.8-7.3
      H     LEU   96 - HG2   PRO   98  far    0    41   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2166 from c13no.peaks (8.50, 2.19, 27.95 ppm; 4.29 A):
    1 out of 4 assignments used, quality = 1.00:
      H     GLN   59 + HG3   PRO   58  OK   100   100 100 100  1.9-3.7   836/1.8=87, 832/2.3=76, 834/2.3=75, 5.0=61...(11)
      H     ALA  116 - HG3   PRO   58  far    0    97   0   -  5.9-6.4
      H     GLN  101 - HG2   PRO   98  far    0    68   0   -  6.2-6.4
      H     GLY  127 - HG3   PRO   58  far    0   100   0   -  9.2-20.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2167 from c13no.peaks (8.43, 2.19, 27.95 ppm; 4.60 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLU   54 + HG3   PRO   58  far    0    99   0   -  8.1-9.4
      H     GLU   53 + HG3   PRO   58  far    0    89   0   -  8.2-8.8
    Violated in 20 structures by 3.26 A.
 
    Peak 2168 from c13no.peaks (6.55, 2.39, 33.13 ppm; 5.30 A):
    1 out of 1 assignment used, quality = 0.97:
      QE    TYR   52 + HB2   PRO   58  OK    97    97 100 100  3.5-4.2   232/1.8=97, 46/2.3=97, 48/3.0=92, 230=92...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2169 from c13no.peaks (6.90, 2.39, 33.13 ppm; 4.27 A):
    2 out of 3 assignments used, quality = 1.00:
      HE22  GLN   59 + HB2   PRO   58  OK    95    98 100  97  3.4-3.8   856/2132=52, ~843=41, 164/4.1=37, 867/4.9=37...(10)
      HZ    PHE   92 + HB2   PRO   58  OK    95    95 100 100  2.2-2.7   168=94, 170/1.8=86, 2.2/156=73, 116/2.3=64...(16)
      QD    PHE   92 - HB2   PRO   58  far    0    95   0   -  4.8-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2170 from c13no.peaks (7.06, 2.39, 33.13 ppm; 4.87 A):
    1 out of 1 assignment used, quality = 0.97:
      QE    PHE   92 + HB2   PRO   58  OK    97    97 100 100  2.8-3.6   156=96, 2.2/168=96, 159/1.8=92, 110/2.3=79...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 2171 from c13no.peaks (7.90, 2.39, 33.13 ppm; 5.50 A increased from 5.29 A):
    1 out of 1 assignment used, quality = 0.92:
      H     VAL  119 + HB2   PRO   58  OK    92   100  93 100  5.0-5.6   3979/2131=79, 1312/2133=78, 582/156=65, 627/168=48...(7)
    Violated in 9 structures by 0.02 A.
 
    Peak 2172 from c13no.peaks (8.49, 2.39, 33.13 ppm; 4.89 A):
    2 out of 2 assignments used, quality = 1.00:
      H     GLN   59 + HB2   PRO   58  OK   100   100 100 100  2.9-3.1   4.1=100
      H     ALA  116 + HB2   PRO   58  OK    93    93 100 100  4.5-4.8   2.9/2132=79, 3.0/2136=76, ~1620=64, ~2138=62...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2173 from c13no.peaks (6.56, 2.07, 33.13 ppm; 5.47 A):
    1 out of 1 assignment used, quality = 0.92:
      QE    TYR   52 + HB3   PRO   58  OK    92    92 100 100  2.0-3.0   46/2.3=92, 230/1.8=91, 48/3.0=89, 238/2140=78...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 2174 from c13no.peaks (6.91, 2.07, 33.13 ppm; 4.20 A):
    1 out of 4 assignments used, quality = 0.87:
      HZ    PHE   92 + HB3   PRO   58  OK    87    87 100 100  1.9-2.4   170=80, 168/1.8=78, 2.2/159=70, 116/2.3=57...(18)
      HE22  GLN   59 - HB3   PRO   58  far    0   100   0   -  4.9-5.3
      QD    PHE   92 - HB3   PRO   58  far    0    99   0   -  4.9-5.6
      H     LEU   96 - HB3   PRO   58  far    0    71   0   -  8.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2175 from c13no.peaks (7.05, 2.07, 33.13 ppm; 5.07 A):
    1 out of 2 assignments used, quality = 0.99:
      QE    PHE   92 + HB3   PRO   58  OK    99    99 100 100  2.7-3.5   156/1.8=95, 2.2/2174=91, 159=91, 110/2.3=85...(18)
      HD2   HIS   51 - HB3   PRO   58  far    0    87   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2176 from c13no.peaks (8.50, 2.07, 33.13 ppm; 4.32 A):
    1 out of 3 assignments used, quality = 0.96:
      H     GLN   59 + HB3   PRO   58  OK    96    96 100 100  3.9-4.0   4.1=100
      H     ALA  116 - HB3   PRO   58  far    0   100   0   -  5.5-5.8
      H     GLN  101 - HB3   PRO   58  far    0   100   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2177 from c13no.peaks (8.43, 2.27, 27.95 ppm; 4.57 A):
    0 out of 4 assignments used, quality = 0.00:
      H     ARG   44 + HG2   PRO   40  far    0   100   0   -  6.0-6.5
      H     GLU   54 + HG2   PRO   58  far    0    96   0   -  8.0-9.1
      H     GLU   53 + HG2   PRO   58  far    0    79   0   -  8.2-8.7
      H     ALA   55 + HG2   PRO   58  far    0    64   0   -  9.1-9.8
    Violated in 20 structures by 1.31 A.
 
    Peak 2178 from c13no.peaks (8.50, 2.27, 27.95 ppm; 4.30 A):
    1 out of 4 assignments used, quality = 0.98:
      H     GLN   59 + HG2   PRO   58  OK    98    98 100 100  2.0-3.7   2166/1.8=77, 832/2.3=75, 834/2.3=75, 5.0=62...(12)
      H     GLY  127 - HG2   PRO  340  far    0    99   0   -  5.3-46.8
      H     ALA  116 - HG2   PRO   58  far    0    97   0   -  6.0-6.4
      H     GLY  127 - HG2   PRO   58  far    0    98   0   -  9.4-18.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2179 from c13no.peaks (6.55, 2.27, 27.95 ppm; 5.41 A):
    1 out of 1 assignment used, quality = 0.96:
      QE    TYR   52 + HG2   PRO   58  OK    96    96 100 100  3.6-4.5   232/2.3=97, 48/2.3=97, 230/2.3=92, 46/3.8=86...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2180 from c13no.peaks (6.56, 4.09, 50.28 ppm; 5.42 A):
    1 out of 1 assignment used, quality = 0.92:
      QE    TYR   52 + HD2   PRO   58  OK    92    92 100 100  2.8-3.2   232/3.0=89, 2160/1.8=87, 48=84, 46/3.6=84...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2181 from c13no.peaks (8.51, 4.09, 50.28 ppm; 4.62 A):
    1 out of 3 assignments used, quality = 0.78:
      H     GLN   59 + HD2   PRO   58  OK    78    78 100 100  3.8-3.9   832=78, 2164/1.8=72, 836/2.3=69, 2166/2.3=61...(12)
      H     ALA  116 - HD2   PRO   58  far    0    99   0   -  8.0-8.3
      H     GLY  127 - HD2   PRO   58  far    0    78   0   -  9.0-18.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2182 from c13no.peaks (4.25, 3.83, 59.07 ppm; 4.57 A):
    1 out of 4 assignments used, quality = 0.86:
      HA    GLU   53 + HA    GLU   54  OK    86    87 100 100  4.4-4.5   721/3.0=82, 5.4=62, 3.3/2085=46, 3905/3.6=43...(9)
      HA    ALA   55 - HA    GLU   54  far    0    63   0   -  4.8-4.9
      HA    THR   56 - HA    GLU   54  far    0   100   0   -  6.0-6.1
      HA    GLU   60 - HA    GLU   54  far    0    63   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2183 from c13no.peaks (6.54, 3.83, 59.07 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   52 + HA    GLU   54  OK   100   100 100 100  3.0-3.6   49=81, 231/3.3=60, 2.2/2184=42, 2193/2.5=39...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 2184 from c13no.peaks (6.82, 3.83, 59.07 ppm; 4.90 A increased from 4.61 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    TYR   52 + HA    GLU   54  OK   100   100 100 100  4.5-4.9   2.2/2183=95, 243/3.3=80, ~231=54, ~2190=48...(13)
    Violated in 1 structures by 0.00 A.
 
    Peak 2185 from c13no.peaks (7.62, 3.83, 59.07 ppm; 4.95 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLY   57 + HA    GLU   54  OK   100   100 100 100  2.8-2.9   821=100, 822/2.5=78, 825/3.3=61, 400/2183=56...(12)
      HE21  GLN   59 - HA    GLU   54  far    0   100   0   -  8.6-9.1
      H     LEU  122 - HA    GLU   54  far    0    63   0   -  9.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2186 from c13no.peaks (7.71, 3.83, 59.07 ppm; 4.93 A):
    1 out of 1 assignment used, quality = 0.99:
      H     THR   56 + HA    GLU   54  OK    99    99 100 100  3.7-3.9   813=99, 154/3.6=75, 817/4.8=63, 4.6/821=61...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2187 from c13no.peaks (8.43, 3.83, 59.07 ppm; 3.87 A):
    2 out of 3 assignments used, quality = 0.99:
      H     GLU   54 + HA    GLU   54  OK    98    98 100 100  2.8-2.8   3.0=100
      H     ALA   55 + HA    GLU   54  OK    63    63 100 100  3.4-3.5   3.6=100
      H     GLU   53 - HA    GLU   54  far    0    83   0   -  4.7-4.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2188 from c13no.peaks (3.83, 2.26, 37.01 ppm; 3.19 A):
    1 out of 8 assignments used, quality = 1.00:
      HA    GLU   54 + QG    GLU   54  OK   100   100 100 100  2.3-2.5   101=100, 3.0/2192=42, 2183/231=36, 2184/243=19...(11)
      HD2   PRO   97 - QG    GLU   54  far    0    95   0   -  4.5-5.3
      HD3   PRO  112 - HG3   GLU  114  far    0    69   0   -  5.8-7.2
      HD3   PRO   58 - QG    GLU   54  far    0    90   0   -  5.9-6.5
      HA3   GLY  110 - HG3   GLU  114  far    0    94   0   -  6.1-7.0
      HD2   PRO  126 - QG    GLU   54  far    0    98   0   -  7.7-13.9
      QA    GLY  128 - QG    GLU   54  far    0    99   0   -  8.5-17.2
      HD3   PRO   98 - QG    GLU   54  far    0   100   0   -  8.9-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2189 from c13no.peaks (2.02, 2.26, 37.01 ppm; 2.41 A):
    1 out of 8 assignments used, quality = 1.00:
      QB    GLU   54 + QG    GLU   54  OK   100   100 100 100  2.0-2.1   2.1=100
      HB2   GLU  113 - HG3   GLU  114  far    0    98   0   -  3.2-4.2
      HB3   PRO   97 - QG    GLU   54  far    0    96   0   -  5.6-6.5
      QB    GLU   99 - QG    GLU   54  far    0    76   0   -  6.4-7.9
      HB2   ARG  103 - QG    GLU   54  far    0    65   0   -  8.0-10.1
      HB3   GLU   60 - QG    GLU   54  far    0    87   0   -  8.2-9.9
      HG    LEU   93 - HG3   GLU  114  far    0    66   0   -  8.4-11.9
      HB2   GLU   81 - HG3   GLU  114  far    0    97   0   -  9.1-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2190 from c13no.peaks (6.54, 2.26, 37.01 ppm; 3.92 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   52 + QG    GLU   54  OK   100   100 100 100  1.9-3.0   231=93, 2.2/243=61, 2183/101=59, 2193/2.1=44...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 2191 from c13no.peaks (6.83, 2.26, 37.01 ppm; 4.38 A):
    1 out of 1 assignment used, quality = 0.90:
      QD    TYR   52 + QG    GLU   54  OK    90    90 100 100  3.4-3.9   2.2/231=88, 243=75, 2184/101=46, ~2193=41...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2192 from c13no.peaks (8.43, 2.26, 37.01 ppm; 3.69 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLU   54 + QG    GLU   54  OK    93    96 100  97  1.9-2.5   1344=82, 3.0/101=66, 6.4/2191=18, 721/6.6=17...(7)
      H     ALA   55 - QG    GLU   54  far    2    71   3   -  2.3-4.4
      H     GLU   53 - QG    GLU   54  far    0    76   0   -  4.9-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2193 from c13no.peaks (6.55, 2.02, 30.20 ppm; 4.99 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    TYR   52 + QB    GLU   54  OK    99    99 100 100  2.8-4.4   231/2.1=99, 2183/2.5=92, ~243=70, ~2191=61...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2194 from c13no.peaks (8.43, 2.02, 30.20 ppm; 3.73 A):
    2 out of 3 assignments used, quality = 0.99:
      H     GLU   54 + QB    GLU   54  OK    96    96 100 100  2.3-2.6   3.2=100
      H     ALA   55 + QB    GLU   54  OK    68    71 100  95  2.9-3.1   4.0=81, 3.0/2115=43, ~2117=22, 810/5.8=15...(8)
      H     GLU   53 - QB    GLU   54  far    0    76   0   -  5.7-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2195 from c13no.peaks (0.29, 3.96, 60.16 ppm; 5.27 A increased from 4.69 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + HA    GLN   59  OK   100   100 100 100  4.7-5.0   2.1/2196=97, 3.1/2198=89, 2.1/2291=87, 888/877=75...(13)
      HB3   ARG   44 - HA    ARG   46  far    0    57   0   -  8.0-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2196 from c13no.peaks (0.49, 3.96, 60.16 ppm; 4.02 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   62 + HA    GLN   59  OK    99    99 100 100  2.3-3.4   2290=95, 3.1/2198=61, 2.1/2291=58, 889/877=47...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 2197 from c13no.peaks (1.28, 3.96, 60.16 ppm; 3.95 A):
    1 out of 3 assignments used, quality = 0.58:
      QB    ALA  116 + HA    GLN   59  OK    58    60 100  97  2.7-3.3   2205/2203=49, 1619/2290=37, 2206/2204=35, 856/867=33...(12)
      QG2   THR   56 - HA    GLN   59  far    0    99   0   -  6.5-6.7
      HG3   GLN   91 - HA    ARG   46  far    0    58   0   -  7.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2198 from c13no.peaks (1.76, 3.96, 60.16 ppm; 3.84 A):
    1 out of 3 assignments used, quality = 0.99:
      HB2   LEU   62 + HA    GLN   59  OK    99    99 100 100  2.6-3.3   1874=85, 3.1/2290=58, 883/877=53, 3.0/2291=45...(11)
      HB2   LEU   45 - HA    ARG   46  far    0    57   0   -  4.5-5.6
      QB    ARG   48 - HA    ARG   46  far    0    37   0   -  4.9-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2199 from c13no.peaks (3.25, 3.96, 60.16 ppm; 4.64 A):
    1 out of 3 assignments used, quality = 0.57:
      QD    ARG   46 + HA    ARG   46  OK    57    57 100 100  2.1-3.7   4.2=100
      HB2   PHE   50 - HA    ARG   46  far    0    53   0   -  5.7-6.5
      HB2   PHE   47 - HA    ARG   46  far    0    36   0   -  6.0-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2200 from c13no.peaks (2.44, 2.11, 27.41 ppm; 3.04 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   GLN   59 + QB    GLN   59  OK   100   100 100 100  2.2-2.5   2.5=100
      HG2   GLU  113 - QB    GLN   59  far    0    83   0   -  6.2-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2201 from c13no.peaks (2.11, 2.50, 34.10 ppm; 2.88 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    GLN   59 + HG2   GLN   59  OK   100   100 100 100  2.1-2.2   2.5=100
      HB2   GLU   60 - HG2   GLN   59  far    0    92   0   -  6.6-7.5
      HB2   PRO  112 - HG2   GLN   59  far    0    95   0   -  9.7-10.6
      QB    GLU  114 - HG2   GLN   59  far    0   100   0   - 10.0-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2202 from c13no.peaks (2.11, 2.45, 34.10 ppm; 2.77 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    GLN   59 + HG3   GLN   59  OK   100   100 100 100  2.2-2.5   2.5=100
      HB2   GLU   60 - HG3   GLN   59  far    0    92   0   -  5.9-7.3
      HB2   PRO  112 - HG3   GLN   59  far    0    95   0   -  8.0-10.4
      QB    GLU  114 - HG3   GLN   59  far    0   100   0   -  8.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2203 from c13no.peaks (3.96, 2.45, 34.10 ppm; 3.42 A):
    1 out of 5 assignments used, quality = 0.99:
      HA    GLN   59 + HG3   GLN   59  OK    99   100 100 100  2.2-3.4   1316=86, 2204/1.8=61, 2.9/2219=49, 2197/2205=32...(14)
      QA    GLY  127 - HG3   GLN   59  far    0    99   0   -  6.6-20.3
      QA    GLY  121 - HG3   GLN   59  far    0    90   0   -  7.9-9.8
      HA    PRO  112 - HG3   GLN   59  far    0    85   0   -  9.1-11.1
      HA    ALA  115 - HG3   GLN   59  far    0    73   0   -  9.3-10.5
    Violated in 4 structures by 0.00 A.
 
    Peak 2204 from c13no.peaks (3.96, 2.50, 34.10 ppm; 3.79 A increased from 3.56 A):
    1 out of 3 assignments used, quality = 0.97:
      HA    GLN   59 + HG2   GLN   59  OK    97    97 100 100  3.4-3.8   129=87, 2203/1.8=83, 2.9/2223=49, 867/3.5=40...(13)
      QA    GLY  127 - HG2   GLN   59  far    0   100   0   -  5.7-21.7
      QA    GLY  121 - HG2   GLN   59  far    0    97   0   -  8.6-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2205 from c13no.peaks (1.27, 2.45, 34.10 ppm; 4.01 A):
    1 out of 2 assignments used, quality = 0.84:
      QB    ALA  116 + HG3   GLN   59  OK    84    85 100 100  3.0-4.0   1622=59, 850/3.5=56, 856/3.5=54, 2206/1.8=54...(14)
      QG2   THR   56 - HG3   GLN   59  far    0    89   0   -  6.7-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2206 from c13no.peaks (1.27, 2.50, 34.10 ppm; 4.86 A increased from 4.09 A):
    1 out of 2 assignments used, quality = 0.85:
      QB    ALA  116 + HG2   GLN   59  OK    85    85 100 100  4.1-4.9   2205/1.8=95, 850/3.5=76, 856/3.5=74, 2197/2204=65...(13)
      QG2   THR   56 - HG2   GLN   59  far    0    89   0   -  7.8-8.3
    Violated in 2 structures by 0.01 A.
 
    Peak 2207 from c13no.peaks (0.51, 2.45, 34.10 ppm; 5.50 A increased from 4.65 A):
    1 out of 1 assignment used, quality = 0.68:
      QD1   LEU   62 + HG3   GLN   59  OK    68    68 100 100  4.0-5.6   2208/1.8=82, 852/3.5=63, 2290/2203=62, 857/3.5=57...(8)
    Violated in 2 structures by 0.00 A.
 
    Peak 2208 from c13no.peaks (0.51, 2.50, 34.10 ppm; 5.50 A increased from 4.82 A):
    1 out of 1 assignment used, quality = 0.41:
      QD1   LEU   62 + HG2   GLN   59  OK    41    68  60 100  5.1-5.7   2207/1.8=82, 852/3.5=63, 2290/2204=60, 857/3.5=57...(8)
    Violated in 19 structures by 0.10 A.
 
    Peak 2209 from c13no.peaks (8.49, 3.96, 60.16 ppm; 3.76 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLN   59 + HA    GLN   59  OK   100   100 100 100  2.8-2.8   2.9=100
      H     ALA  116 - HA    GLN   59  far    0    96   0   -  5.9-6.7
      H     LEU   68 - HA    ARG   46  far    0    43   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2210 from c13no.peaks (8.57, 3.96, 60.16 ppm; 4.04 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU   60 + HA    GLN   59  OK    99    99 100 100  3.5-3.6   3.6=100
      H     CYS   69 - HA    ARG   46  far    0    47   0   -  9.2-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2211 from c13no.peaks (8.50, 2.11, 27.41 ppm; 3.41 A):
    1 out of 3 assignments used, quality = 0.97:
      H     GLN   59 + QB    GLN   59  OK    97    97 100 100  2.2-2.6   3.3=100
      H     ALA  116 - QB    GLN   59  far    0    99   0   -  7.0-8.0
      H     GLY  127 - QB    GLN   59  far    0    97   0   -  8.9-21.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2212 from c13no.peaks (8.58, 2.11, 27.41 ppm; 3.51 A):
    1 out of 1 assignment used, quality = 0.96:
      H     GLU   60 + QB    GLN   59  OK    96   100 100  96  2.4-2.7   4.0=65, 4.6/837=35, 174/2213=29, 862/5.8=21...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2213 from c13no.peaks (7.78, 2.11, 27.41 ppm; 5.02 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ALA   61 + QB    GLN   59  OK    98    98 100 100  4.7-4.9   174/2212=85, 177/2214=59, 162/837=59, 872/5.2=50...(9)
      H     ALA  117 - QB    GLN   59  far    0    83   0   -  7.1-7.8
    Violated in 1 structures by 0.00 A.
 
    Peak 2214 from c13no.peaks (8.12, 2.11, 27.41 ppm; 5.32 A increased from 5.01 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   62 + QB    GLN   59  OK   100   100 100 100  4.8-5.3   877/2.5=95, 175/2212=72, 177/2213=71, 161/3.3=65...(8)
      H     GLN   64 - QB    GLN   59  far    0   100   0   -  6.6-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2215 from c13no.peaks (8.12, 3.96, 60.16 ppm; 4.05 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU   62 + HA    GLN   59  OK   100   100 100 100  3.5-3.9   877=97, 883/2198=61, 889/2290=49, 884/2291=49...(15)
      H     LEU   45 - HA    ARG   46  far    0    55   0   -  5.1-5.4
      H     GLN   64 - HA    GLN   59  far    0    97   0   -  6.3-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2216 from c13no.peaks (7.74, 3.96, 60.16 ppm; 4.78 A increased from 4.50 A):
    1 out of 4 assignments used, quality = 0.90:
      H     ALA   63 + HA    GLN   59  OK    90    90 100 100  3.8-4.6   176/877=72, 899/2198=68, 4.8/2290=56, 901/1873=49...(7)
      H     ALA  117 - HA    GLN   59  far    0    90   0   -  6.6-7.1
      H     HIS   51 - HA    ARG   46  far    0    43   0   -  8.1-8.9
      H     THR   56 - HA    GLN   59  far    0    63   0   -  9.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2217 from c13no.peaks (6.90, 2.45, 34.10 ppm; 4.59 A):
    1 out of 3 assignments used, quality = 0.98:
      HE22  GLN   59 + HG3   GLN   59  OK    98    98 100 100  2.1-3.5   3.5=100
      HZ    PHE   92 - HG3   GLN   59  far    0    95   0   -  6.5-7.2
      QD    PHE   92 - HG3   GLN   59  far    0    95   0   -  7.7-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2218 from c13no.peaks (7.63, 2.45, 34.10 ppm; 3.99 A):
    1 out of 4 assignments used, quality = 0.95:
      HE21  GLN   59 + HG3   GLN   59  OK    95    95 100 100  2.1-3.4   3.5=100
      H     GLY   57 - HG3   GLN   59  far    0    92   0   -  7.3-9.5
      HE21  GLN   64 - HG3   GLN   59  far    0    81   0   -  9.7-10.5
      H     LEU  122 - HG3   GLN   59  far    0    93   0   -  9.8-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2219 from c13no.peaks (8.51, 2.45, 34.10 ppm; 3.72 A):
    1 out of 3 assignments used, quality = 0.78:
      H     GLN   59 + HG3   GLN   59  OK    78    78 100 100  2.0-3.6   2.9/2203=63, 837/2.5=61, 2223/1.8=58, 4.6=53...(17)
      H     ALA  116 - HG3   GLN   59  far    0    99   0   -  6.1-7.7
      H     GLY  127 - HG3   GLN   59  far    0    78   0   -  9.9-22.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2220 from c13no.peaks (8.60, 2.45, 34.10 ppm; 5.17 A increased from 4.14 A):
    1 out of 1 assignment used, quality = 0.87:
      H     GLU   60 + HG3   GLN   59  OK    87    87 100 100  3.9-5.1   5.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2221 from c13no.peaks (6.90, 2.50, 34.10 ppm; 4.48 A):
    1 out of 3 assignments used, quality = 0.98:
      HE22  GLN   59 + HG2   GLN   59  OK    98    98 100 100  3.2-3.9   3.5=100
      HZ    PHE   92 - HG2   GLN   59  far    0    95   0   -  7.8-8.5
      QD    PHE   92 - HG2   GLN   59  far    0    95   0   -  9.1-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2222 from c13no.peaks (7.63, 2.50, 34.10 ppm; 4.20 A increased from 3.96 A):
    1 out of 2 assignments used, quality = 0.95:
      HE21  GLN   59 + HG2   GLN   59  OK    95    95 100 100  2.8-4.0   3.5=100
      H     GLY   57 - HG2   GLN   59  far    0    92   0   -  8.8-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2223 from c13no.peaks (8.52, 2.50, 34.10 ppm; 4.27 A increased from 3.80 A):
    1 out of 3 assignments used, quality = 0.63:
      H     GLN   59 + HG2   GLN   59  OK    63    63 100 100  3.5-4.1   2219/1.8=88, 4.6=80, 2.9/2204=71, 837/2.5=57...(17)
      H     ALA  116 - HG2   GLN   59  far    0    96   0   -  7.6-8.5
      H     GLY  127 - HG2   GLN   59  far    0    63   0   -  8.9-23.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2224 from c13no.peaks (8.60, 2.50, 34.10 ppm; 5.38 A increased from 4.31 A):
    1 out of 1 assignment used, quality = 0.73:
      H     GLU   60 + HG2   GLN   59  OK    73    73 100 100  4.8-5.2   5.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2225 from c13no.peaks (1.56, 4.22, 59.32 ppm; 3.27 A):
    1 out of 4 assignments used, quality = 0.63:
      QB    ALA   63 + HA    GLU   60  OK    63    97 100  65  2.5-3.0   900/389=43, 863/3.0=23, 911/2247=15, 5.8/2247=7
      QB    ALA   63 - HA    GLU   67  far    0    86   0   -  6.3-6.8
      QG    ARG   74 - HA    GLU   67  far    0    54   0   -  7.2-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2226 from c13no.peaks (4.23, 2.35, 36.69 ppm; 4.07 A increased from 3.43 A):
    1 out of 5 assignments used, quality = 0.98:
      HA    GLU   60 + HG3   GLU   60  OK    98    98 100 100  3.5-3.9   4.2=92, 135/1.8=87, 3.0/2239=52, ~138=49...(15)
      HA    THR   56 - HG3   GLU   60  far    4    81   5   -  4.0-4.7
      HA3   GLY   57 - HG3   GLU   60  far    0    73   0   -  5.3-6.0
      HA    GLU   53 - QG    GLU   99  far    0    90   0   -  7.8-11.3
      HA    GLU   53 - HG3   GLU   60  far    0   100   0   -  8.1-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2227 from c13no.peaks (4.23, 2.41, 36.69 ppm; 3.38 A):
    1 out of 4 assignments used, quality = 0.97:
      HA    GLU   60 + HG2   GLU   60  OK    97   100  98 100  2.3-2.9   135=91, 3.0/138=61, 3.0/2245=36, 1324/1.8=33...(15)
      HA    THR   56 - HG2   GLU   60  far    0    65   0   -  4.3-6.3
      HA3   GLY   57 - HG2   GLU   60  far    0    87   0   -  5.6-6.9
      HA    GLU   53 - HG2   GLU   60  far    0    99   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2228 from c13no.peaks (4.23, 2.00, 29.34 ppm; 3.24 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    GLU   60 + HB3   GLU   60  OK   100   100 100 100  2.3-3.0   3.0=100
      HA3   GLY   57 - HB3   GLU   60  far    0    87   0   -  3.7-4.7
      HA    THR   56 - HB3   GLU   60  far    0    65   0   -  4.3-5.1
      HA    GLU   53 - HB3   GLU   60  far    0    99   0   -  7.9-10.2
      HA    GLU   67 - HB2   GLU   81  far    0    88   0   -  9.2-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2229 from c13no.peaks (1.29, 2.35, 36.69 ppm; 3.83 A):
    1 out of 2 assignments used, quality = 0.97:
      QG2   THR   56 + HG3   GLU   60  OK    97    97 100 100  1.9-2.4   1765=79, 2231/1.8=73, 1767/3.0=61, 2236/3.0=57...(16)
      HB3   LEU   62 - HG3   GLU   60  far    0    81   0   -  8.7-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2230 from c13no.peaks (1.58, 2.35, 36.69 ppm; 4.37 A increased from 3.68 A):
    1 out of 3 assignments used, quality = 0.89:
      HG12  ILE  100 + QG    GLU   99  OK    89    90 100  99  2.9-4.3   237/243=71, ~3474=59, 3477=49, 1.8/3475=36...(14)
      HB3   LEU  122 - QG    GLU   99  far    0    83   0   -  6.1-8.0
      QG    ARG   66 - HG3   GLU   60  far    0    97   0   -  8.4-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2231 from c13no.peaks (1.29, 2.41, 36.69 ppm; 3.88 A):
    1 out of 2 assignments used, quality = 0.97:
      QG2   THR   56 + HG2   GLU   60  OK    97    97 100 100  2.9-3.4   1765/1.8=77, 1767/3.0=63, 2236/138=59, ~2105=41...(13)
      HB3   LEU   62 - HG2   GLU   60  far    0    81   0   -  7.7-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2232 from c13no.peaks (1.58, 2.41, 36.69 ppm; 3.99 A):
    0 out of 1 assignment used, quality = 0.00:
      QG    ARG   66 + HG2   GLU   60  far    0    97   0   -  7.4-8.2
    Violated in 20 structures by 3.73 A.
 
    Peak 2233 from c13no.peaks (1.29, 2.00, 29.34 ppm; 3.86 A):
    1 out of 3 assignments used, quality = 0.97:
      QG2   THR   56 + HB3   GLU   60  OK    97    97 100 100  1.9-3.5   1767=96, 2236/1.8=74, 1765/3.0=58, 2231/3.0=57...(14)
      HB3   LEU   62 - HB3   GLU   60  far    0    81   0   -  7.6-8.7
      HB3   LEU   62 - HB2   GLU   81  far    0    75   0   -  7.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2234 from c13no.peaks (1.57, 2.00, 29.34 ppm; 3.65 A):
    0 out of 4 assignments used, quality = 0.00:
      QB    ALA   63 + HB3   GLU   60  far    0    68   0   -  4.5-5.1
      QG    ARG   66 + HB2   GLU   81  far    0    85   0   -  6.0-9.0
      QB    ALA   63 + HB2   GLU   81  far    0    63   0   -  8.3-10.9
      QG    ARG   66 + HB3   GLU   60  far    0    90   0   -  8.7-9.3
    Violated in 20 structures by 1.10 A.
 
    Peak 2235 from c13no.peaks (1.57, 2.12, 29.34 ppm; 3.63 A):
    1 out of 8 assignments used, quality = 0.82:
      QG    ARG   66 + QB    GLU   67  OK    82    86 100  96  2.7-3.0   953/951=48, 2456/2.5=38, 2459/2.5=28, ~952=25...(12)
      QB    ALA   63 - QB    GLU   67  far    0    64   0   -  4.1-4.6
      QB    ALA   63 - HB2   GLU   60  far    0    68   0   -  4.8-5.4
      QB    ALA   63 - HB3   GLN   64  far    0    31   0   -  5.0-5.1
      QG    ARG   66 - HB3   GLN   64  far    0    45   0   -  5.8-6.3
      QG    ARG   74 - QB    GLU   67  far    0    93   0   -  7.9-9.5
      QG    ARG   66 - HB2   GLU   60  far    0    90   0   -  8.9-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2236 from c13no.peaks (1.29, 2.12, 29.34 ppm; 3.88 A):
    1 out of 9 assignments used, quality = 0.97:
      QG2   THR   56 + HB2   GLU   60  OK    97    97 100 100  1.9-3.2   1767/1.8=81, 1765/3.0=59, 2231/138=59, 894/891=53...(14)
      QG2   THR   56 - HB3   GLN   64  far    0    52   0   -  6.0-6.8
      HB3   LEU   62 - QB    GLU   67  far    0    76   0   -  7.5-8.1
      HB3   LEU   62 - HB2   GLU   60  far    0    81   0   -  7.9-8.4
      HG3   GLN   91 - HB3   GLN   64  far    0    48   0   -  8.3-10.6
      HB3   LEU   62 - HB3   GLN   64  far    0    39   0   -  8.4-8.7
      QG2   THR   56 - QB    GLU   67  far    0    94   0   -  8.9-9.7
      HG3   GLN   91 - QB    GLU   67  far    0    89   0   -  9.6-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2237 from c13no.peaks (6.87, 2.35, 36.69 ppm; 4.71 A):
    1 out of 3 assignments used, quality = 1.00:
      HE22  GLN   64 + HG3   GLU   60  OK   100   100 100 100  3.2-3.5   1.7/914=91, 923=81, ~2242=70, 928/2229=57
      HZ    PHE   92 - QG    GLU   99  far    0    60   0   -  9.3-11.4
      HZ    PHE   92 - HG3   GLU   60  far    0    73   0   -  9.4-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2238 from c13no.peaks (7.65, 2.35, 36.69 ppm; 4.19 A):
    1 out of 2 assignments used, quality = 1.00:
      HE21  GLN   64 + HG3   GLU   60  OK   100   100 100 100  2.3-3.1   914=93, 2242/1.8=80, 1.7/923=69, 916/3.0=50...(6)
      H     LEU  122 - QG    GLU   99  far    0    86   0   -  8.3-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2239 from c13no.peaks (8.58, 2.35, 36.69 ppm; 4.57 A increased from 4.06 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   60 + HG3   GLU   60  OK   100   100 100 100  4.4-4.6   862/3.0=88, 4.8=84, 2245/1.8=80, 2250/3.0=76...(16)
      H     GLN  105 - QG    GLU   99  far    0    89   0   -  8.2-8.8
    Violated in 1 structures by 0.00 A.
 
    Peak 2240 from c13no.peaks (7.82, 2.35, 36.69 ppm; 4.12 A):
    0 out of 1 assignment used, quality = 0.00:
      H     ARG  123 + QG    GLU   99  far    0    75   0   -  7.6-9.0
    Violated in 20 structures by 4.21 A.
 
    Peak 2241 from c13no.peaks (8.10, 2.35, 36.69 ppm; 5.50 A increased from 5.03 A):
    1 out of 3 assignments used, quality = 0.66:
      H     ALA  102 + QG    GLU   99  OK    66    69  98  98  5.1-5.5   2033/3.4=80, 3437/6.5=43, 467/7.0=41, 8.1/243=31...(8)
      H     GLN   64 - HG3   GLU   60  far   11    65  18   -  5.0-6.2
      H     LEU   62 - HG3   GLU   60  far    2    87   3   -  5.6-6.7
    Violated in 1 structures by 0.01 A.
 
    Peak 2242 from c13no.peaks (7.65, 2.41, 36.69 ppm; 4.05 A):
    1 out of 1 assignment used, quality = 0.99:
      HE21  GLN   64 + HG2   GLU   60  OK    99   100 100  99  1.9-2.1   914/1.8=86, ~923=57, 916/3.0=47, ~2237=44...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 2243 from c13no.peaks (7.82, 2.41, 36.69 ppm; 3.90 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2244 from c13no.peaks (8.10, 2.41, 36.69 ppm; 5.17 A):
    2 out of 2 assignments used, quality = 0.57:
      H     GLN   64 + HG2   GLU   60  OK    35    65  98  55  4.2-5.3   188/2242=39, 2247/2227=16, 3664/6.8=11
      H     LEU   62 + HG2   GLU   60  OK    34    87  40  99  5.0-6.3   171/2245=58, 177/5.2=57, 882/6.4=41, 6.8/2227=40...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2245 from c13no.peaks (8.59, 2.41, 36.69 ppm; 4.47 A increased from 3.98 A):
    1 out of 1 assignment used, quality = 0.95:
      H     GLU   60 + HG2   GLU   60  OK    95    97  98 100  4.3-4.5   2250/138=84, 862/3.0=84, 3.0/2227=83, 4.8=78...(16)
    Violated in 1 structures by 0.00 A.
 
    Peak 2246 from c13no.peaks (8.58, 4.22, 59.32 ppm; 3.58 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   60 + HA    GLU   60  OK   100   100 100 100  2.8-2.9   3.0=100
      H     CYS   69 - HA    GLU   67  far    0    89   0   -  4.1-4.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2247 from c13no.peaks (8.13, 4.22, 59.32 ppm; 4.72 A increased from 4.20 A):
    2 out of 3 assignments used, quality = 1.00:
      H     GLN   64 + HA    GLU   60  OK    98   100 100  98  4.4-4.7   911/2225=87, 180/389=73, 2255/5.4=24, 2244/2227=12
      H     LEU   62 + HA    GLU   60  OK    96    99  98 100  4.0-4.7   177/3.6=82, 176/389=74, 175/3.0=66, 882/5.0=58...(17)
      H     GLN   64 - HA    GLU   67  far    0    91   0   -  7.3-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2248 from c13no.peaks (7.77, 4.22, 59.32 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 0.85:
      H     ALA   61 + HA    GLU   60  OK    85    85 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2249 from c13no.peaks (7.81, 2.12, 29.34 ppm; 3.79 A):
    1 out of 3 assignments used, quality = 0.71:
      H     ALA   61 + HB2   GLU   60  OK    71    71 100 100  2.4-3.5   4.2=75, 2252/1.8=68, 172/2250=51, 5.2/138=35...(13)
      H     ALA   61 - HB3   GLN   64  far    0    33   0   -  6.7-7.1
      H     ALA   61 - QB    GLU   67  far    0    66   0   -  9.3-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2250 from c13no.peaks (8.60, 2.12, 29.34 ppm; 3.21 A):
    1 out of 4 assignments used, quality = 0.88:
      H     GLU   60 + HB2   GLU   60  OK    88    89 100  99  2.2-2.5   862/1.8=64, 4.0=52, 172/891=38, 2245/138=31...(17)
      H     CYS   69 - QB    GLU   67  far    0    96   0   -  4.9-5.4
      H     CYS   69 - HB3   GLN   64  far    0    54   0   -  7.1-7.8
      H     GLU   60 - HB3   GLN   64  far    0    44   0   -  8.8-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2251 from c13no.peaks (8.59, 2.00, 29.34 ppm; 3.43 A):
    1 out of 1 assignment used, quality = 0.97:
      H     GLU   60 + HB3   GLU   60  OK    97    97 100 100  2.5-2.8   862=94, 2250/1.8=76, 172/4.2=38, 2245/3.0=36...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 2252 from c13no.peaks (7.81, 2.00, 29.34 ppm; 4.03 A increased from 3.58 A):
    1 out of 2 assignments used, quality = 0.71:
      H     ALA   61 + HB3   GLU   60  OK    71    71 100 100  2.1-3.9   4.2=90, 2249/1.8=81, 172/862=62, 894/1767=37...(12)
      H     GLU  114 - HB2   GLU   81  far    0    86   0   -  8.8-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2253 from c13no.peaks (8.32, 2.12, 29.34 ppm; 4.28 A):
    0 out of 4 assignments used, quality = 0.00:
      H     GLN   71 + QB    GLU   67  far    0    91   0   -  5.1-5.6
      H     ARG   74 + QB    GLU   67  far    0    53   0   -  8.8-9.3
      H     GLN   71 + HB3   GLN   64  far    0    50   0   -  9.5-10.3
      H     TYR   52 + HB2   GLU   60  far    0    73   0   -  9.7-11.4
    Violated in 20 structures by 1.06 A.
 
    Peak 2255 from c13no.peaks (8.13, 4.32, 55.69 ppm; 3.75 A):
    2 out of 6 assignments used, quality = 1.00:
      H     LEU   62 + HA    ALA   61  OK    99    99 100 100  3.5-3.6   3.6=100
      H     GLN   64 + HA    ALA   61  OK    95   100 100  95  3.3-3.7   908/2349=46, 909/2330=45, 201/207=35, 907/2329=34...(9)
      HE1   HIS   51 - HA    ALA   61  far    0    57   0   -  8.6-9.3
      H     LEU   45 - HA    GLN  407  far    0    82   0   -  9.6-53.4
      H     LEU   93 - HA    ARG  108  far    0    73   0   -  9.7-10.2
      H     LEU   93 - HA    ALA   61  far    0    99   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2256 from c13no.peaks (8.59, 4.32, 55.69 ppm; 5.50 A increased from 4.54 A):
    1 out of 4 assignments used, quality = 0.97:
      H     GLU   60 + HA    ALA   61  OK    97    97 100 100  5.2-5.4   172/3.0=96, 1671/2.1=94, 5.8=84, 175/3.6=77...(10)
      H     GLN  105 - HA    ARG  108  poor  14    69  20   -  5.3-6.1
      H     GLN  105 - HA    GLN  107  far    0    91   0   -  7.0-7.3
      H     CYS   69 - HA    ALA   61  far    0   100   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2258 from c13no.peaks (7.30, 4.32, 55.69 ppm; 4.03 A):
    1 out of 1 assignment used, quality = 0.95:
      QE    PHE   50 + HA    ALA   61  OK    95    96 100 100  2.9-3.2   71=96, 266/2.1=83, ~277=43, 264/2330=42...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 2259 from c13no.peaks (7.40, 4.32, 55.69 ppm; 3.79 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLU   67 + HA    ALA   61  far    0    97   0   -  7.5-8.1
      QE    PHE   47 + HA    ALA   61  far    0    57   0   -  7.9-8.7
    Violated in 20 structures by 3.40 A.
 
    Peak 2260 from c13no.peaks (0.48, 0.29, 24.07 ppm; 2.82 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   62 + QD2   LEU   62  OK   100   100 100 100  1.9-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2261 from c13no.peaks (0.77, 0.29, 24.07 ppm; 3.55 A):
    1 out of 2 assignments used, quality = 0.90:
      QD1   LEU   65 + QD2   LEU   62  OK    90    90 100 100  1.9-3.2   2361=74, 2368/147=38, 2395/147=37, 3.1/2366=31...(19)
      QD2   LEU   93 - QD2   LEU   62  far    0    63   0   -  5.1-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2262 from c13no.peaks (0.91, 0.29, 24.07 ppm; 3.19 A):
    1 out of 8 assignments used, quality = 0.99:
      QG1   VAL   88 + QD2   LEU   62  OK    99   100 100  99  1.8-2.3   2270/2.1=48, 3794/2266=33, 2288/2.1=32, 3777/3747=30...(18)
      QD1   LEU   93 - QD2   LEU   62  far    0    68   0   -  6.2-7.0
      QD1   LEU  118 - QD2   LEU   62  far    0    76   0   -  7.1-7.8
      QD2   LEU  118 - QD2   LEU   62  far    0    99   0   -  7.2-7.5
      QG2   ILE  100 - QD2   LEU   62  far    0    98   0   -  7.7-8.6
      QD2   LEU   86 - QD2   LEU   62  far    0    85   0   -  7.7-9.0
      QD1   ILE  100 - QD2   LEU   62  far    0    60   0   -  8.6-9.9
      HB3   LEU   96 - QD2   LEU   62  far    0    97   0   -  8.8-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2263 from c13no.peaks (1.39, 0.29, 24.07 ppm; 3.03 A):
    1 out of 3 assignments used, quality = 1.00:
      HG    LEU   62 + QD2   LEU   62  OK   100   100 100 100  2.1-2.1   2.1=100
      QB    ALA  115 - QD2   LEU   62  far    0    97   0   -  4.1-4.8
      HB3   LEU   93 - QD2   LEU   62  far    0    71   0   -  6.9-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2264 from c13no.peaks (1.29, 0.29, 24.07 ppm; 3.18 A):
    1 out of 3 assignments used, quality = 0.78:
      HB3   LEU   62 + QD2   LEU   62  OK    78    78 100 100  2.4-2.5   3.1=100
      HG3   GLN   91 - QD2   LEU   62  far    0    95   0   -  4.9-8.1
      QG2   THR   56 - QD2   LEU   62  far    0    98   0   -  6.5-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2265 from c13no.peaks (1.90, 0.29, 24.07 ppm; 3.47 A):
    2 out of 6 assignments used, quality = 0.97:
      HB3   PRO  112 + QD2   LEU   62  OK    94    95 100 100  2.4-3.2   1.8/2266=69, 2.3/2289=57, 3751=49, 2.3/3747=48...(19)
      QB    ALA   61 + QD2   LEU   62  OK    40   100  40  99  3.3-4.4   2274/2.1=63, 1595=46, 882/888=44, 1598/2361=38...(12)
      HB3   GLU  113 - QD2   LEU   62  far    0    76   0   -  4.8-6.0
      HG    LEU   96 - QD2   LEU   62  far    0    81   0   -  6.4-9.2
      HB3   PRO  109 - QD2   LEU   62  far    0    98   0   -  7.4-7.7
      HB2   LYS   80 - QD2   LEU   62  far    0    78   0   -  9.0-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2266 from c13no.peaks (2.10, 0.29, 24.07 ppm; 3.58 A):
    1 out of 8 assignments used, quality = 1.00:
      HB2   PRO  112 + QD2   LEU   62  OK   100   100 100 100  1.7-2.2   3752=73, 2275/2.1=61, 2.3/2289=60, 1.8/2265=53...(19)
      QB    GLU   85 - QD2   LEU   62  far    0    76   0   -  4.7-6.3
      HB3   PRO   58 - QD2   LEU   62  far    0    71   0   -  5.5-6.7
      QB    GLN   59 - QD2   LEU   62  far    0    97   0   -  6.0-6.4
      QB    GLU  114 - QD2   LEU   62  far    0    93   0   -  6.4-6.7
      QB    GLU   67 - QD2   LEU   62  far    0    78   0   -  7.0-8.0
      HB2   GLU   60 - QD2   LEU   62  far    0    68   0   -  7.3-8.0
      HG2   PRO  109 - QD2   LEU   62  far    0    99   0   -  7.4-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2267 from c13no.peaks (2.49, 0.29, 24.07 ppm; 4.69 A):
    1 out of 5 assignments used, quality = 0.60:
      HG2   GLU  113 + QD2   LEU   62  OK    60    60 100 100  3.0-4.4   3.6/3836=65, 2276/2.1=61, 1.8/3834=56, ~3835=54...(15)
      HG3   GLN   64 - QD2   LEU   62  far    0    96   0   -  6.2-6.8
      QB    GLU   90 - QD2   LEU   62  far    0    76   0   -  7.1-8.0
      HG2   GLN   59 - QD2   LEU   62  far    0    99   0   -  7.2-7.8
      HB3   CYS   69 - QD2   LEU   62  far    0    93   0   -  7.3-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2268 from c13no.peaks (3.08, 0.29, 24.07 ppm; 3.90 A):
    2 out of 3 assignments used, quality = 0.91:
      HB2   PHE   92 + QD2   LEU   62  OK    73    73 100 100  2.8-3.8   2.4/147=69, 2277/2.1=43, 429/1172=40, 4.4/166=36...(14)
      HB3   PHE   92 + QD2   LEU   62  OK    65    65 100  99  2.2-3.1   2.4/147=69, 1.8/3238=48, 4.4/166=36, 4.0/2317=35...(13)
      HD2   ARG   66 - QD2   LEU   62  far    0    97   0   -  4.7-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2269 from c13no.peaks (0.29, 0.48, 25.37 ppm; 2.82 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + QD1   LEU   62  OK   100   100 100 100  1.9-2.1   2.1=100
      QD1   LEU   73 - QD1   LEU   62  far    0    98   0   -  9.2-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2270 from c13no.peaks (0.90, 0.48, 25.37 ppm; 3.83 A):
    1 out of 7 assignments used, quality = 0.87:
      QG1   VAL   88 + QD1   LEU   62  OK    87   100  88 100  3.3-4.1   2262/2.1=84, 2288/2.1=51, 3794/2275=45, 3796/3791=34...(11)
      QD2   LEU  118 - QD1   LEU   62  far    0    97   0   -  6.4-6.9
      QD1   LEU  118 - QD1   LEU   62  far    0    63   0   -  6.8-7.1
      QG2   ILE  100 - QD1   LEU   62  far    0   100   0   -  7.1-8.6
      QD1   ILE  100 - QD1   LEU   62  far    0    73   0   -  7.9-9.4
      QD2   LEU   86 - QD1   LEU   62  far    0    93   0   -  8.5-10.5
      HB3   LEU   96 - QD1   LEU   62  far    0    90   0   -  8.6-10.7
    Violated in 5 structures by 0.07 A.
 
    Peak 2271 from c13no.peaks (1.29, 0.48, 25.37 ppm; 3.23 A):
    1 out of 3 assignments used, quality = 0.78:
      HB3   LEU   62 + QD1   LEU   62  OK    78    78 100 100  2.1-3.2   3.1=100
      QG2   THR   56 - QD1   LEU   62  far    0    98   0   -  5.7-7.6
      HG3   GLN   91 - QD1   LEU   62  far    0    95   0   -  6.3-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2272 from c13no.peaks (1.39, 0.48, 25.37 ppm; 3.35 A):
    1 out of 3 assignments used, quality = 1.00:
      HG    LEU   62 + QD1   LEU   62  OK   100   100 100 100  2.1-2.1   2.1=100
      QB    ALA  115 - QD1   LEU   62  far    0    97   0   -  4.3-4.7
      HB3   LEU   93 - QD1   LEU   62  far    0    71   0   -  7.5-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2273 from c13no.peaks (1.76, 0.48, 25.37 ppm; 3.52 A):
    1 out of 6 assignments used, quality = 0.96:
      HB2   LEU   62 + QD1   LEU   62  OK    96    96 100 100  2.2-2.5   3.1=100
      QB    LEU   84 - QD1   LEU   62  far    0    98   0   -  6.4-7.9
      HG3   PRO  109 - QD1   LEU   62  far    0    90   0   -  7.3-8.1
      HB3   GLU   53 - QD1   LEU   62  far    0    68   0   -  9.1-11.9
      QD    LYS   80 - QD1   LEU   62  far    0    76   0   -  9.3-12.3
      HG3   ARG  123 - QD1   LEU   62  far    0    96   0   -  9.4-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2274 from c13no.peaks (1.90, 0.48, 25.37 ppm; 3.65 A):
    1 out of 6 assignments used, quality = 0.48:
      QB    ALA   61 + QD1   LEU   62  OK    48   100  50  96  2.6-4.9   1595/2.1=49, 882/889=46, 1603/4.0=36, 1596=33...(11)
      HB3   PRO  112 - QD1   LEU   62  far    9    95  10   -  3.5-4.7
      HB3   GLU  113 - QD1   LEU   62  far    0    76   0   -  3.8-5.9
      HG    LEU   96 - QD1   LEU   62  far    0    81   0   -  6.3-9.4
      HB3   PRO  109 - QD1   LEU   62  far    0    98   0   -  7.0-8.0
      HB2   LYS   80 - QD1   LEU   62  far    0    78   0   - 10.0-13.3
    Violated in 10 structures by 0.60 A.
 
    Peak 2275 from c13no.peaks (2.10, 0.48, 25.37 ppm; 3.87 A increased from 3.65 A):
    1 out of 9 assignments used, quality = 1.00:
      HB2   PRO  112 + QD1   LEU   62  OK   100   100 100 100  1.9-3.7   2266/2.1=77, 3792=76, 1.8/3791=50, 3794/2270=46...(19)
      HB3   PRO   58 - QD1   LEU   62  far    2    71   3   -  4.0-5.8
      QB    GLN   59 - QD1   LEU   62  far    0    97   0   -  4.1-4.9
      QB    GLU   85 - QD1   LEU   62  far    0    76   0   -  5.2-7.6
      HB2   GLU   60 - QD1   LEU   62  far    0    68   0   -  5.6-7.6
      QB    GLU  114 - QD1   LEU   62  far    0    93   0   -  5.7-6.8
      HG2   PRO  109 - QD1   LEU   62  far    0    99   0   -  7.4-8.2
      QB    GLU   67 - QD1   LEU   62  far    0    78   0   -  8.3-8.7
      HB2   LEU  118 - QD1   LEU   62  far    0    81   0   -  9.1-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2276 from c13no.peaks (2.48, 0.48, 25.37 ppm; 5.18 A increased from 4.37 A):
    1 out of 5 assignments used, quality = 0.85:
      HG2   GLU  113 + QD1   LEU   62  OK    85    85 100 100  2.5-5.0   2267/2.1=82, 3832=80, 3.6/3837=79, 1.8/3835=78...(14)
      HG2   GLN   59 - QD1   LEU   62  far    2    87   3   -  5.1-5.7
      HG3   GLN   64 - QD1   LEU   62  far    0   100   0   -  5.7-7.5
      QB    GLU   90 - QD1   LEU   62  far    0    95   0   -  8.8-9.5
      HB3   CYS   69 - QD1   LEU   62  far    0    73   0   -  9.2-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2277 from c13no.peaks (3.08, 0.48, 25.37 ppm; 5.09 A):
    1 out of 2 assignments used, quality = 0.81:
      HB2   PHE   92 + QD1   LEU   62  OK    81    85  95 100  3.8-5.1   3238/2.1=69, ~147=68, ~2308=67, 4.4/2302=55...(11)
      HD2   ARG   66 - QD1   LEU   62  far    0    99   0   -  5.9-8.9
    Violated in 5 structures by 0.04 A.
 
    Peak 2278 from c13no.peaks (0.29, 1.39, 26.98 ppm; 3.52 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   62 + HG    LEU   62  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2279 from c13no.peaks (0.48, 1.39, 26.98 ppm; 4.26 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   62 + HG    LEU   62  OK   100   100 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2280 from c13no.peaks (0.76, 1.39, 26.98 ppm; 5.36 A increased from 4.76 A):
    1 out of 4 assignments used, quality = 0.97:
      QD1   LEU   65 + HG    LEU   62  OK    97    97 100 100  3.7-5.2   2261/2.1=99, 887/884=79, 2368/4.3=73, ~2375=57...(10)
      QD2   LEU   89 - HG    LEU   62  far    0    65   0   -  5.7-7.4
      QD1   LEU   87 - HG    LEU   62  far    0    71   0   -  8.8-10.8
      QD1   LEU   84 - HG    LEU   62  far    0    71   0   -  9.4-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2281 from c13no.peaks (1.76, 1.39, 26.98 ppm; 3.74 A):
    1 out of 4 assignments used, quality = 0.99:
      HB2   LEU   62 + HG    LEU   62  OK    99    99 100 100  2.3-2.5   3.0=100
      QB    LEU   84 - HG    LEU   62  far    0   100   0   -  7.3-9.0
      HG    LEU   89 - HG    LEU   62  far    0    60   0   -  7.5-10.5
      HG3   PRO  109 - HG    LEU   62  far    0    96   0   -  9.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2282 from c13no.peaks (1.89, 1.39, 26.98 ppm; 5.50 A increased from 4.48 A):
    2 out of 5 assignments used, quality = 0.98:
      QB    ALA   61 + HG    LEU   62  OK    97    99  98 100  3.6-5.4   1670/884=96, 2274/2.1=95, 1595/2.1=94, 1603/4.3=72...(13)
      HB3   PRO  112 + HG    LEU   62  OK    37    78  48 100  4.3-6.1   ~2266=87, ~2275=83, ~3752=82, ~3792=81...(17)
      QB    ARG   66 - HG    LEU   62  far    2    71   3   -  4.7-7.1
      HG    LEU   96 - HG    LEU   62  far    0    96   0   -  8.1-11.5
      HB3   PRO  109 - HG    LEU   62  far    0   100   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2283 from c13no.peaks (1.31, 1.39, 26.98 ppm; 3.35 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   LEU   62 + HG    LEU   62  OK   100   100 100 100  2.3-3.0   3.0=100
      HB3   LEU   89 - HG    LEU   62  far    0    87   0   -  6.8-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2284 from c13no.peaks (0.29, 1.31, 42.19 ppm; 3.87 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + HB3   LEU   62  OK   100   100 100 100  2.4-2.5   3.1=100
      QD1   LEU   73 - HB3   LEU   62  far    0    98   0   -  9.4-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2285 from c13no.peaks (1.75, 1.31, 42.19 ppm; 3.17 A):
    1 out of 5 assignments used, quality = 1.00:
      HB2   LEU   62 + HB3   LEU   62  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    LEU   84 - HB3   LEU   62  far    0   100   0   -  6.2-7.5
      HG    LEU   89 - HB3   LEU   62  far    0    85   0   -  8.3-11.8
      HG3   PRO  109 - HB3   LEU   62  far    0   100   0   -  9.3-12.1
      QD    LYS   80 - HB3   LEU   62  far    0    98   0   - 10.0-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2286 from c13no.peaks (1.31, 1.75, 42.19 ppm; 3.11 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   LEU   62 + HB2   LEU   62  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   LEU   89 - HB2   LEU   62  far    0    87   0   -  8.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2287 from c13no.peaks (1.31, 3.78, 58.45 ppm; 3.63 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   LEU   62 + HA    LEU   62  OK   100   100 100 100  2.3-2.7   3.0=100
      HB3   LEU   89 - HA    LEU   62  far    0    87   0   -  7.7-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2288 from c13no.peaks (0.91, 1.39, 26.98 ppm; 4.63 A):
    1 out of 6 assignments used, quality = 0.85:
      QG1   VAL   88 + HG    LEU   62  OK    85   100  85 100  3.9-5.0   2262/2.1=98, 2270/2.1=89, 886/884=48, ~3141=36...(7)
      QD2   LEU  118 - HG    LEU   62  far    0    99   0   -  8.2-8.8
      QD1   LEU  118 - HG    LEU   62  far    0    76   0   -  8.5-9.1
      QD1   LEU   93 - HG    LEU   62  far    0    68   0   -  8.5-9.5
      QG2   ILE  100 - HG    LEU   62  far    0    98   0   -  9.0-10.2
      QD1   ILE  100 - HG    LEU   62  far    0    60   0   -  9.7-11.7
    Violated in 3 structures by 0.05 A.
 
    Peak 2289 from c13no.peaks (3.97, 0.29, 24.07 ppm; 3.78 A increased from 3.55 A):
    1 out of 6 assignments used, quality = 0.96:
      HA    PRO  112 + QD2   LEU   62  OK    96    96 100 100  2.7-3.6   2.3/2266=71, 3746=63, 2.3/3751=54, 3745/2.1=51...(19)
      HA    PHE   92 - QD2   LEU   62  far    0    71   0   -  3.9-5.1
      HA    GLN   59 - QD2   LEU   62  far    0    96   0   -  4.7-5.0
      HB3   SER  111 - QD2   LEU   62  far    0    68   0   -  6.8-7.6
      HA    GLN   91 - QD2   LEU   62  far    0   100   0   -  6.9-7.7
      HA    GLN   82 - QD2   LEU   62  far    0    92   0   -  8.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2290 from c13no.peaks (3.97, 0.48, 25.37 ppm; 3.56 A):
    1 out of 8 assignments used, quality = 0.95:
      HA    GLN   59 + QD1   LEU   62  OK    95    96 100 100  2.3-3.4   2196=66, 2198/3.1=46, 2291/2.1=46, 877/889=37...(17)
      HA    PRO  112 - QD1   LEU   62  far   10    96  10   -  3.5-4.4
      HA    PHE   92 - QD1   LEU   62  far    0    71   0   -  4.6-6.8
      HB3   SER  111 - QD1   LEU   62  far    0    68   0   -  6.4-8.4
      HA    GLN   91 - QD1   LEU   62  far    0   100   0   -  8.2-9.7
      QA    GLY  127 - QD1   LEU   62  far    0   100   0   -  8.9-19.5
      HA    GLN   82 - QD1   LEU   62  far    0    92   0   -  9.2-12.1
      QA    GLY  121 - QD1   LEU   62  far    0    98   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2291 from c13no.peaks (3.97, 1.39, 26.98 ppm; 4.48 A):
    1 out of 4 assignments used, quality = 0.96:
      HA    GLN   59 + HG    LEU   62  OK    96    96 100 100  3.2-3.8   2290/2.1=91, 877/884=72, 2198/3.0=72, 2195/2.1=54...(13)
      HA    PRO  112 - HG    LEU   62  far    2    96   3   -  4.4-5.9
      HA    PHE   92 - HG    LEU   62  far    0    71   0   -  6.0-7.8
      HB3   SER  111 - HG    LEU   62  far    0    68   0   -  8.4-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2292 from c13no.peaks (7.74, 3.78, 58.45 ppm; 4.47 A):
    1 out of 5 assignments used, quality = 0.92:
      H     ALA   63 + HA    LEU   62  OK    92    92 100 100  3.5-3.6   3.6=100
      H     GLU   90 - HA    LEU   62  far    0   100   0   -  8.7-9.9
      H     HIS   51 - HA    LEU   62  far    0    87   0   -  9.0-10.2
      H     ALA  117 - HA    LEU   62  far    0    89   0   -  9.5-10.2
      H     ALA  117 - HA    LEU  345  far    0    68   0   -  9.8-57.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2293 from c13no.peaks (8.65, 3.78, 58.45 ppm; 4.22 A):
    2 out of 3 assignments used, quality = 0.94:
      H     LEU   65 + HA    LEU   62  OK    85    85 100 100  3.1-3.5   203=78, 2400/2368=54, 2315/147=45, 202/3.6=43...(14)
      H     ARG   66 + HA    LEU   62  OK    58    63  98  95  3.5-3.9   4.5/203=42, 5.0/2368=40, 5.0/2369=32, 4.6/2356=28...(9)
      HE    ARG   44 - HA    LEU   45  far    2    71   3   -  4.3-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2294 from c13no.peaks (8.14, 3.78, 58.45 ppm; 3.51 A):
    2 out of 4 assignments used, quality = 0.92:
      H     LEU   62 + HA    LEU   62  OK    85    85 100 100  2.7-2.8   3.0=100
      H     LEU   45 + HA    LEU   45  OK    45    45 100 100  2.8-2.9   2.9=100
      H     GLN   64 - HA    LEU   62  far    0    97   0   -  4.0-4.3
      H     LEU   93 - HA    LEU   62  far    0   100   0   -  7.1-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2295 from c13no.peaks (8.52, 1.75, 42.19 ppm; 5.50 A increased from 5.22 A):
    1 out of 4 assignments used, quality = 0.51:
      H     GLN   59 + HB2   LEU   62  OK    51    68  75 100  4.5-5.7   2.9/2198=93, 838=68, ~1873=59, ~2290=57...(11)
      H     ALA  116 - HB2   LEU   62  far    0    97   0   -  5.7-7.2
      H     LEU   89 - HB2   LEU   62  far    0    99   0   -  8.8-10.2
      H     LEU   68 - HB2   LEU   62  far    0   100   0   -  9.1-9.7
    Violated in 10 structures by 0.05 A.
 
    Peak 2296 from c13no.peaks (7.75, 1.31, 42.19 ppm; 4.27 A):
    1 out of 4 assignments used, quality = 0.81:
      H     ALA   63 + HB3   LEU   62  OK    81    81 100 100  3.0-3.4   901=79, 899/1.8=76, 176/3.8=58, 2303/3.1=54...(10)
      H     ALA  117 - HB3   LEU   62  far    0    97   0   -  7.2-9.2
      H     GLY   94 - HB3   LEU   62  far    0    68   0   -  8.9-12.2
      H     GLU   90 - HB3   LEU   62  far    0   100   0   -  9.4-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2297 from c13no.peaks (8.52, 1.31, 42.19 ppm; 4.50 A):
    0 out of 4 assignments used, quality = 0.00:
      H     ALA  116 + HB3   LEU   62  far    0    97   0   -  5.2-7.5
      H     GLN   59 + HB3   LEU   62  far    0    68   0   -  5.9-7.3
      H     LEU   89 + HB3   LEU   62  far    0    99   0   -  7.3-9.1
      H     LEU   68 + HB3   LEU   62  far    0   100   0   -  8.3-8.8
    Violated in 20 structures by 1.47 A.
 
    Peak 2298 from c13no.peaks (6.93, 1.39, 26.98 ppm; 5.24 A):
    2 out of 3 assignments used, quality = 0.96:
      QD    PHE   92 + HG    LEU   62  OK    95    97  98 100  3.2-5.2   147/2.1=96, 186/884=77, ~166=66, ~2309=64...(16)
      HE22  GLN   59 + HG    LEU   62  OK    28    93  30  99  5.1-6.2   857/2.1=80, 867/2291=56, ~852=56, 164/839=49...(7)
      H     LEU   96 - HG    LEU   62  far    0    99   0   -  9.8-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2299 from c13no.peaks (7.75, 1.39, 26.98 ppm; 5.21 A increased from 4.90 A):
    1 out of 4 assignments used, quality = 0.81:
      H     ALA   63 + HG    LEU   62  OK    81    81 100 100  3.3-5.1   2311/2.1=88, 2303/2.1=88, 5.5=86, 2296/3.0=84...(12)
      H     ALA  117 - HG    LEU   62  far    0    97   0   -  6.2-7.2
      H     GLU   90 - HG    LEU   62  far    0   100   0   -  9.2-10.7
      H     GLY   94 - HG    LEU   62  far    0    68   0   -  9.9-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2300 from c13no.peaks (8.14, 1.39, 26.98 ppm; 4.25 A increased from 3.77 A):
    1 out of 3 assignments used, quality = 0.85:
      H     LEU   62 + HG    LEU   62  OK    85    85 100 100  2.3-4.0   884=85, 2313/2.1=78, 2304/2.1=72, 883/3.0=68...(18)
      H     GLN   64 - HG    LEU   62  far    0    97   0   -  5.1-7.1
      H     LEU   93 - HG    LEU   62  far    0   100   0   -  7.6-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2301 from c13no.peaks (6.92, 0.48, 25.37 ppm; 4.44 A):
    3 out of 5 assignments used, quality = 1.00:
      QD    PHE   92 + QD1   LEU   62  OK    95   100  95 100  2.3-4.6   147/2.1=88, 2.2/2302=61, 2.4/2277=56, ~166=49...(17)
      HE22  GLN   59 + QD1   LEU   62  OK    95   100  95 100  3.8-4.6   857=80, 856/1619=71, 867/2290=53, 1.7/852=47...(10)
      HZ    PHE   92 + QD1   LEU   62  OK    47    73  65  99  3.2-5.2   2.2/2302=61, ~166=49, 176/1619=48, ~2309=48...(9)
      H     LEU   96 - QD1   LEU   62  far    0    85   0   -  7.6-10.5
      H     PHE   50 - QD1   LEU   62  far    0    81   0   -  9.7-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2302 from c13no.peaks (7.03, 0.48, 25.37 ppm; 4.95 A):
    1 out of 3 assignments used, quality = 0.83:
      QE    PHE   92 + QD1   LEU   62  OK    83    83 100 100  2.4-4.6   2309/2.1=84, 1657/1619=77, ~147=68, ~2308=68...(15)
      QD    PHE   50 - QD1   LEU   62  far    0   100   0   -  6.1-8.2
      HD2   HIS   51 - QD1   LEU   62  far    0    99   0   -  9.5-12.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2303 from c13no.peaks (7.75, 0.48, 25.37 ppm; 4.58 A):
    1 out of 4 assignments used, quality = 0.65:
      H     ALA   63 + QD1   LEU   62  OK    65    65 100 100  3.9-4.5   4.8=84, 2311/2.1=72, 2296/3.1=67, 2299/2.1=60...(13)
      H     ALA  117 - QD1   LEU   62  far    0   100   0   -  4.7-5.5
      H     GLY   94 - QD1   LEU   62  far    0    83   0   -  7.8-9.4
      H     GLU   90 - QD1   LEU   62  far    0    99   0   -  8.0-8.7
    Violated in 1 structures by 0.00 A.
 
    Peak 2304 from c13no.peaks (8.13, 0.48, 25.37 ppm; 4.22 A):
    1 out of 3 assignments used, quality = 0.95:
      H     LEU   62 + QD1   LEU   62  OK    95    95 100 100  1.8-3.9   889=93, 884/2.1=88, 2313/2.1=76, 883/3.1=73...(20)
      H     GLN   64 - QD1   LEU   62  far    0   100   0   -  5.2-6.4
      H     LEU   93 - QD1   LEU   62  far    0   100   0   -  5.8-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2305 from c13no.peaks (8.52, 0.48, 25.37 ppm; 4.22 A):
    2 out of 4 assignments used, quality = 0.98:
      H     ALA  116 + QD1   LEU   62  OK    97    97 100 100  3.3-3.9   2.9/1619=81, 978=80, 977/2.1=52, 3.0/3885=50...(14)
      H     GLN   59 + QD1   LEU   62  OK    34    68  50 100  3.8-5.3   2.9/2290=74, 840/1619=41, 2295/3.1=40, ~2291=36...(17)
      H     LEU   89 - QD1   LEU   62  far    0    99   0   -  6.3-7.2
      H     LEU   68 - QD1   LEU   62  far    0   100   0   -  8.6-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2306 from c13no.peaks (8.65, 0.48, 25.37 ppm; 5.50 A increased from 5.40 A):
    1 out of 2 assignments used, quality = 0.42:
      H     LEU   65 + QD1   LEU   62  OK    42    85  50 100  5.0-6.3   2315/2.1=88, 203/4.0=69, 202/4.8=54, 1698/5.8=51...(8)
      H     ARG   66 - QD1   LEU   62  far    6    63  10   -  5.5-6.1
    Violated in 10 structures by 0.38 A.
 
    Peak 2307 from c13no.peaks (8.95, 0.48, 25.37 ppm; 5.15 A increased from 4.85 A):
    1 out of 3 assignments used, quality = 0.87:
      H     GLU  113 + QD1   LEU   62  OK    87    87 100 100  3.0-5.0   2.9/3837=87, 2316/2.1=84, 1274=82, 3.9/2275=75...(17)
      H     VAL   88 - QD1   LEU   62  far    0    95   0   -  7.4-8.1
      H     GLY  110 - QD1   LEU   62  far    0    63   0   -  8.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2308 from c13no.peaks (6.92, 0.29, 24.07 ppm; 3.79 A):
    1 out of 5 assignments used, quality = 1.00:
      QD    PHE   92 + QD2   LEU   62  OK   100   100 100 100  2.1-3.5   147=100, 2.2/166=55, 2.4/3238=41, 2395/2361=38...(22)
      HZ    PHE   92 - QD2   LEU   62  far    0    73   0   -  4.3-5.5
      HE22  GLN   59 - QD2   LEU   62  far    0   100   0   -  6.0-6.6
      H     LEU   96 - QD2   LEU   62  far    0    85   0   -  7.7-9.5
      H     PHE   50 - QD2   LEU   62  far    0    81   0   -  9.0-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2309 from c13no.peaks (7.03, 0.29, 24.07 ppm; 4.52 A increased from 4.26 A):
    1 out of 2 assignments used, quality = 0.93:
      QE    PHE   92 + QD2   LEU   62  OK    93    93 100 100  3.2-4.4   166=93, 2.2/147=88, 2302/2.1=64, 1657/1618=58...(19)
      QD    PHE   50 - QD2   LEU   62  far    0    97   0   -  5.6-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2310 from c13no.peaks (7.37, 0.29, 24.07 ppm; 5.50 A increased from 5.32 A):
    1 out of 2 assignments used, quality = 0.60:
      QE    PHE   47 + QD2   LEU   62  OK    60   100  60 100  5.3-5.7   2762/2262=80, 2397/2361=78, 315/2367=64, 95/3141=61...(8)
      H     GLU   67 - QD2   LEU   62  far    0    78   0   -  6.0-7.0
    Violated in 15 structures by 0.06 A.
 
    Peak 2311 from c13no.peaks (7.75, 0.29, 24.07 ppm; 4.64 A increased from 4.37 A):
    1 out of 5 assignments used, quality = 0.81:
      H     ALA   63 + QD2   LEU   62  OK    81    81 100 100  4.2-4.6   4.8=88, 3.6/147=75, 2303/2.1=75, 2296/3.1=69...(14)
      H     GLU   90 - QD2   LEU   62  far    0   100   0   -  6.0-7.1
      H     ALA  117 - QD2   LEU   62  far    0    97   0   -  6.3-6.7
      H     GLY   94 - QD2   LEU   62  far    0    68   0   -  6.9-7.8
      H     HIS   51 - QD2   LEU   62  far    0    73   0   -  8.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2312 from c13no.peaks (7.93, 0.29, 24.07 ppm; 5.50 A increased from 5.15 A):
    1 out of 3 assignments used, quality = 0.62:
      H     ALA  115 + QD2   LEU   62  OK    62    81  78 100  5.4-5.6   2.9/1678=79, 1288/2.1=64, 565/977=60, 5.7/1618=60...(10)
      H     GLN   91 - QD2   LEU   62  far    0    99   0   -  5.6-6.5
      H     VAL  119 - QD2   LEU   62  far    0    76   0   -  7.7-8.5
    Violated in 17 structures by 0.06 A.
 
    Peak 2313 from c13no.peaks (8.14, 0.29, 24.07 ppm; 3.99 A increased from 3.76 A):
    1 out of 3 assignments used, quality = 0.83:
      H     LEU   62 + QD2   LEU   62  OK    83    85  98 100  2.9-3.9   888=85, 884/2.1=75, 3.0/147=69, 2304/2.1=65...(21)
      H     LEU   93 - QD2   LEU   62  far    0   100   0   -  4.9-5.8
      H     GLN   64 - QD2   LEU   62  far    0    97   0   -  5.1-5.6
    Violated in 1 structures by 0.01 A.
 
    Peak 2314 from c13no.peaks (8.52, 0.29, 24.07 ppm; 4.87 A increased from 4.33 A):
    2 out of 4 assignments used, quality = 0.98:
      H     ALA  116 + QD2   LEU   62  OK    97    97 100 100  4.4-4.8   977=86, 2.9/1618=86, 978/2.1=82, ~1619=63...(13)
      H     LEU   89 + QD2   LEU   62  OK    34    99  35 100  4.4-5.5   4.3/2262=73, 1133=71, 3.0/3177=70, 3.6/3141=54...(8)
      H     GLN   59 - QD2   LEU   62  far    0    68   0   -  6.1-6.7
      H     LEU   68 - QD2   LEU   62  far    0   100   0   -  7.1-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2315 from c13no.peaks (8.64, 0.29, 24.07 ppm; 4.89 A increased from 4.60 A):
    1 out of 1 assignment used, quality = 0.95:
      H     LEU   65 + QD2   LEU   62  OK    95    95 100 100  4.3-4.8   938=84, 2400/2361=70, 203/147=65, 2306/2.1=62...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2316 from c13no.peaks (8.94, 0.29, 24.07 ppm; 4.73 A):
    1 out of 3 assignments used, quality = 0.96:
      H     GLU  113 + QD2   LEU   62  OK    96    96 100 100  3.1-4.3   1275=87, 2.9/3836=74, 3.6/2289=73, 3.9/2266=70...(18)
      H     VAL   88 - QD2   LEU   62  far    0    85   0   -  5.3-6.0
      H     GLY  110 - QD2   LEU   62  far    0    78   0   -  8.4-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2317 from c13no.peaks (9.16, 0.29, 24.07 ppm; 4.88 A increased from 4.60 A):
    1 out of 1 assignment used, quality = 0.98:
      H     PHE   92 + QD2   LEU   62  OK    98    98 100 100  4.0-4.9   1172=98, 1169/2262=72, 1170/2261=68, 4.5/147=64...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2318 from c13no.peaks (7.73, 4.10, 55.75 ppm; 3.53 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ALA   63 + HA    ALA   63  OK   100   100 100 100  2.8-2.8   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2319 from c13no.peaks (8.67, 4.10, 55.75 ppm; 4.23 A):
    1 out of 1 assignment used, quality = 0.98:
      H     ARG   66 + HA    ALA   63  OK    98    98 100 100  3.6-4.0   213=98, 208/3.6=52, 2439/2421=31, 940/2422=30...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2320 from c13no.peaks (8.11, 4.10, 55.75 ppm; 3.93 A):
    1 out of 2 assignments used, quality = 0.78:
      H     GLN   64 + HA    ALA   63  OK    78    78 100 100  3.5-3.5   3.6=100
      H     LEU   62 - HA    ALA   63  far    0    95   0   -  5.2-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2321 from c13no.peaks (2.75, 1.55, 18.36 ppm; 3.90 A):
    1 out of 3 assignments used, quality = 0.84:
      HG2   GLN   64 + QB    ALA   63  OK    84    85 100  99  3.0-3.1   2326=66, 2339/1697=56, 3.5/917=40, 895/2.9=33...(9)
      HB3   ASP  120 - QB    ALA  117  far    0    36   0   -  4.3-5.0
      HA    ARG   44 - QB    ALA  417  far    0    57   0   -  8.6-32.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2322 from c13no.peaks (2.72, 2.14, 29.07 ppm; 3.40 A):
    2 out of 10 assignments used, quality = 1.00:
      HG2   GLN   64 + HB3   GLN   64  OK   100   100 100 100  2.7-2.8   3.0=100
      HG2   GLN   71 + QB    GLN   71  OK    74    74 100 100  2.3-2.4   2.5=100
      HG2   GLN   71 - QB    GLU   67  far    0    53   0   -  4.2-5.5
      QB    PRO   40 - QB    GLN   71  far    0    83   0   -  4.9-6.3
      HG2   GLN   64 - QB    GLU   67  far    0    68   0   -  5.1-5.7
      HG2   GLN   64 - HB2   GLU   60  far    0    56   0   -  5.4-5.9
      HA    ARG   44 - QB    GLN   71  far    0    87   0   -  5.8-7.7
      HG2   GLN   71 - HB3   GLN   64  far    0    87   0   -  8.5-9.8
      HA    ARG   44 - QB    GLU   67  far    0    64   0   -  9.8-10.6
      HB3   ASP  120 - HB2   GLU   60  far    0    55   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2323 from c13no.peaks (2.14, 2.28, 29.07 ppm; 2.84 A):
    1 out of 6 assignments used, quality = 1.00:
      HB3   GLN   64 + HB2   GLN   64  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   LEU   68 - HB2   GLN   64  far    0    87   0   -  4.4-7.3
      QB    GLU   67 - HB2   GLN   64  far    0    76   0   -  5.5-6.1
      QG    GLU   53 - HB2   GLN   64  far    0    99   0   -  6.4-7.0
      HB2   GLU   60 - HB2   GLN   64  far    0    85   0   -  6.7-8.0
      QB    GLN   71 - HB2   GLN   64  far    0   100   0   -  9.3-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2324 from c13no.peaks (2.48, 2.28, 29.07 ppm; 3.44 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   GLN   64 + HB2   GLN   64  OK   100   100 100 100  2.2-2.2   3.0=100
      HG3   GLN   71 - HB2   GLN   64  far    0    63   0   -  9.5-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2325 from c13no.peaks (2.73, 2.48, 34.43 ppm; 2.57 A):
    1 out of 1 assignment used, quality = 1.00:
      HG2   GLN   64 + HG3   GLN   64  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2326 from c13no.peaks (1.56, 2.73, 34.43 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 0.92:
      QB    ALA   63 + HG2   GLN   64  OK    92    92 100 100  3.0-3.1   2321=78, 911/907=69, 900/895=49, 4.9/159=43...(9)
      QG    ARG   66 - HG2   GLN   64  far    0    65   0   -  5.4-5.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2327 from c13no.peaks (1.02, 2.73, 34.43 ppm; 4.58 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2328 from c13no.peaks (1.02, 2.28, 29.07 ppm; 4.62 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2329 from c13no.peaks (4.30, 2.73, 34.43 ppm; 4.55 A):
    1 out of 2 assignments used, quality = 0.87:
      HA    ALA   61 + HG2   GLN   64  OK    87    87 100 100  3.5-3.9   2349/1.8=92, 2330/3.0=70, 185/912=56, 207/2340=46...(9)
      HB    THR   56 - HG2   GLN   64  far    0    99   0   -  7.0-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2330 from c13no.peaks (4.30, 2.28, 29.07 ppm; 4.19 A):
    1 out of 2 assignments used, quality = 0.94:
      HA    ALA   61 + HB2   GLN   64  OK    94    95 100  99  2.9-3.5   2349/2334=71, 2329/3.0=54, 71/264=54, 207/931=46...(8)
      HB    THR   56 - HB2   GLN   64  far    0    95   0   -  8.0-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2331 from c13no.peaks (4.12, 2.14, 29.07 ppm; 3.12 A):
    2 out of 12 assignments used, quality = 1.00:
      HA    GLN   64 + HB3   GLN   64  OK   100   100 100 100  2.3-2.3   3.0=100
      HA    GLN   64 + QB    GLU   67  OK    23    68  50  67  2.8-3.6   2454/2.5=33, 214/3.4=32, 2453/2.5=25, 2418/5.7=3
      HA    ALA   63 - QB    GLU   67  far    0    49   0   -  4.1-4.8
      HA    ARG   74 - QB    GLN   71  far    0    84   0   -  5.9-6.5
      HA    ALA   63 - HB3   GLN   64  far    0    83   0   -  6.5-6.6
      HA    TYR   52 - HB2   GLU   60  far    0    40   0   -  6.8-8.5
      HA    PHE   50 - HB3   GLN   64  far    0    83   0   -  6.9-7.8
      HA    ALA   63 - HB2   GLU   60  far    0    40   0   -  7.8-8.3
      HA    GLN   64 - QB    GLN   71  far    0    91   0   -  7.9-9.1
      HA    GLN   64 - HB2   GLU   60  far    0    56   0   -  8.1-8.5
      HA    TYR   52 - HB3   GLN   64  far    0    83   0   -  8.4-9.0
      HA    ARG   74 - QB    GLU   67  far    0    62   0   -  8.7-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2332 from c13no.peaks (4.30, 2.14, 29.07 ppm; 4.55 A increased from 3.83 A):
    3 out of 6 assignments used, quality = 0.93:
      HA    ALA   61 + HB3   GLN   64  OK    78    95  83 100  4.2-4.8   2330/1.8=86, 2349/3.0=76, 2329/3.0=63, 207/2348=49...(7)
      HA    ALA   61 + HB2   GLU   60  OK    46    49  95  99  4.3-5.5   3.0/891=72, ~2252=50, 6.0=43, 2.1/1607=41...(10)
      HB    THR   56 + HB2   GLU   60  OK    38    49  78 100  4.4-5.1   ~1767=68, 2105/3.0=63, ~2233=63, 3.0/2107=58...(11)
      HA    ALA   61 - QB    GLU   67  far    0    60   0   -  7.7-8.3
      HB    THR   56 - HB3   GLN   64  far    0    95   0   -  8.2-9.4
      HA    ALA   55 - HB2   GLU   60  far    0    34   0   -  8.2-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2333 from c13no.peaks (2.48, 2.73, 34.43 ppm; 2.49 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   GLN   64 + HG2   GLN   64  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2334 from c13no.peaks (2.28, 2.48, 34.43 ppm; 2.74 A):
    1 out of 3 assignments used, quality = 0.96:
      HB2   GLN   64 + HG3   GLN   64  OK    96   100 100  96  2.2-2.2   3.0=76, 909/908=30, 3.0/1336=28, 2330/2349=20...(9)
      HG3   GLU   67 - HG3   GLN   64  far    0    60   0   -  7.8-8.5
      HG2   PRO   58 - HG3   GLN   64  far    0    78   0   - 10.0-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2335 from c13no.peaks (2.14, 2.48, 34.43 ppm; 3.07 A increased from 2.73 A):
    1 out of 5 assignments used, quality = 1.00:
      HB3   GLN   64 + HG3   GLN   64  OK   100   100 100 100  2.9-2.9   3.0=100
      HB2   GLU   60 - HG3   GLN   64  far    0    85   0   -  4.6-5.8
      QG    GLU   53 - HG3   GLN   64  far    0    99   0   -  5.6-6.2
      QB    GLU   67 - HG3   GLN   64  far    0    76   0   -  6.3-6.9
      HB2   LEU   68 - HG3   GLN   64  far    0    87   0   -  6.5-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2336 from c13no.peaks (6.88, 2.73, 34.43 ppm; 4.14 A):
    1 out of 1 assignment used, quality = 1.00:
      HE22  GLN   64 + HG2   GLN   64  OK   100   100 100 100  3.5-3.5   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2337 from c13no.peaks (7.66, 2.73, 34.43 ppm; 3.77 A):
    1 out of 1 assignment used, quality = 1.00:
      HE21  GLN   64 + HG2   GLN   64  OK   100   100 100 100  2.2-2.3   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2338 from c13no.peaks (7.35, 2.73, 34.43 ppm; 4.64 A):
    0 out of 1 assignment used, quality = 0.00:
      QE    PHE   47 + HG2   GLN   64  far    0    89   0   -  8.8-9.5
    Violated in 20 structures by 4.64 A.
 
    Peak 2339 from c13no.peaks (8.13, 2.73, 34.43 ppm; 3.46 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLN   64 + HG2   GLN   64  OK   100   100 100 100  2.1-2.3   907=100, 908/1.8=70, 909/3.0=58, 2.9/159=52...(17)
      H     LEU   62 - HG2   GLN   64  far    0    95   0   -  5.3-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2340 from c13no.peaks (8.63, 2.73, 34.43 ppm; 4.58 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   65 + HG2   GLN   64  OK   100   100 100 100  4.2-4.3   939=90, 2352/1.8=84, 931/3.0=80, 201/2339=77...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2341 from c13no.peaks (7.35, 2.14, 29.07 ppm; 3.79 A increased from 3.57 A):
    1 out of 6 assignments used, quality = 0.90:
      H     TRP   72 + QB    GLN   71  OK    90    91 100 100  3.1-3.7   4.0=83, 225/275=61, 1652/1628=45, 2622/2.5=41...(12)
      QE    PHE   47 - HB3   GLN   64  far    0    78   0   -  7.4-8.3
      H     TRP   72 - QB    GLU   67  far    0    68   0   -  7.4-7.7
      QE    PHE   47 - QB    GLU   67  far    0    46   0   -  7.5-8.2
      QE    PHE   47 - QB    GLN   71  far    0    65   0   -  7.8-9.2
      HZ2   TRP   72 - QB    GLN   71  far    0    74   0   -  9.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2342 from c13no.peaks (7.35, 2.28, 29.07 ppm; 4.43 A):
    0 out of 1 assignment used, quality = 0.00:
      QE    PHE   47 + HB2   GLN   64  far    0    78   0   -  6.3-7.2
    Violated in 20 structures by 2.56 A.
 
    Peak 2343 from c13no.peaks (8.13, 2.28, 29.07 ppm; 3.63 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLN   64 + HB2   GLN   64  OK   100   100 100 100  2.8-2.9   909=100, 2347/1.8=74, 908/2334=61, 2339/3.0=58...(19)
      H     LEU   62 - HB2   GLN   64  far    0    95   0   -  5.4-5.7
      HE1   HIS   51 - HB2   GLN   64  far    0    71   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2344 from c13no.peaks (8.63, 2.28, 29.07 ppm; 4.11 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   65 + HB2   GLN   64  OK   100   100 100 100  2.5-2.9   931=97, 2348/1.8=72, 201/909=69, 2352/2334=60...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2345 from c13no.peaks (8.13, 4.12, 59.24 ppm; 3.52 A):
    1 out of 6 assignments used, quality = 1.00:
      H     GLN   64 + HA    GLN   64  OK   100   100 100 100  2.8-2.9   2.9=100
      H     LEU   62 - HA    TYR   52  far    0    62   0   -  5.5-7.0
      HE1   HIS   51 - HA    TYR   52  far    0    43   0   -  6.0-6.4
      H     LEU   62 - HA    GLN   64  far    0    95   0   -  6.8-6.9
      H     GLN   64 - HA    TYR   52  far    0    70   0   -  7.7-8.7
      H     LEU   93 - HA    TYR   52  far    0    71   0   -  8.2-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2346 from c13no.peaks (8.63, 4.12, 59.24 ppm; 4.10 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   65 + HA    GLN   64  OK   100   100 100 100  3.5-3.6   3.6=100
      H     LEU   65 - HA    TYR   52  far    0    70   0   -  7.8-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2347 from c13no.peaks (8.13, 2.14, 29.07 ppm; 3.60 A):
    1 out of 9 assignments used, quality = 1.00:
      H     GLN   64 + HB3   GLN   64  OK   100   100 100 100  3.6-3.6   910=97, 909/1.8=83, 2.9/1340=69, 2339/3.0=57...(19)
      H     LEU   62 - HB2   GLU   60  far    0    49   0   -  4.9-5.6
      H     GLN   64 - QB    GLU   67  far    0    67   0   -  4.9-5.3
      H     GLN   64 - HB2   GLU   60  far    0    56   0   -  5.9-6.5
      H     LEU   62 - HB3   GLN   64  far    0    95   0   -  6.9-7.1
      H     LEU   45 - QB    GLN   71  far    0    65   0   -  7.5-9.6
      H     LEU   62 - QB    GLU   67  far    0    60   0   -  8.2-8.8
      HE1   HIS   51 - HB2   GLU   60  far    0    33   0   -  9.6-11.3
      HE1   HIS   51 - HB3   GLN   64  far    0    71   0   -  9.8-10.9
    Violated in 3 structures by 0.00 A.
 
    Peak 2348 from c13no.peaks (8.63, 2.14, 29.07 ppm; 4.27 A increased from 3.60 A):
    1 out of 5 assignments used, quality = 1.00:
      H     LEU   65 + HB3   GLN   64  OK   100   100 100 100  3.8-4.1   932=98, 931/1.8=91, 3.6/1340=76, 201/2347=67...(18)
      H     LEU   65 - QB    GLU   67  far    0    67   0   -  4.8-5.3
      H     LEU   65 - HB2   GLU   60  far    0    56   0   -  7.8-8.7
      HE    ARG   44 - QB    GLN   71  far    0    91   0   -  8.9-10.9
      H     LEU   65 - QB    GLN   71  far    0    90   0   -  9.1-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2349 from c13no.peaks (4.30, 2.48, 34.43 ppm; 3.84 A):
    1 out of 2 assignments used, quality = 0.91:
      HA    ALA   61 + HG3   GLN   64  OK    91    95 100  96  1.9-2.2   2329/1.8=55, 2330/2334=55, 185/3.5=37, 207/2352=34...(7)
      HB    THR   56 - HG3   GLN   64  far    0    95   0   -  6.2-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2351 from c13no.peaks (8.13, 2.48, 34.43 ppm; 3.60 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLN   64 + HG3   GLN   64  OK   100   100 100 100  2.3-2.5   908=100, 907/1.8=77, 909/2334=66, 910/3.0=54...(18)
      H     LEU   62 - HG3   GLN   64  far    0    99   0   -  4.5-4.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2352 from c13no.peaks (8.63, 2.48, 34.43 ppm; 4.27 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   65 + HG3   GLN   64  OK   100   100 100 100  3.6-4.0   931/2334=75, 939/1.8=72, 201/908=68, 2348/3.0=61...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2353 from c13no.peaks (6.88, 2.48, 34.43 ppm; 4.10 A):
    1 out of 3 assignments used, quality = 1.00:
      HE22  GLN   64 + HG3   GLN   64  OK   100   100 100 100  3.7-3.8   3.5=100
      HZ    PHE   92 - HG3   GLN   64  far    0    90   0   -  9.2-9.9
      H     PHE   50 - HG3   GLN   64  far    0    85   0   -  9.2-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2354 from c13no.peaks (7.34, 2.48, 34.43 ppm; 4.44 A):
    0 out of 1 assignment used, quality = 0.00:
      QE    PHE   47 + HG3   GLN   64  far    0    63   0   -  8.1-8.9
    Violated in 20 structures by 4.22 A.
 
    Peak 2355 from c13no.peaks (3.79, 1.35, 44.11 ppm; 4.34 A):
    2 out of 5 assignments used, quality = 0.99:
      HA    ARG   66 + HB3   LEU   65  OK    97    99 100  99  4.0-4.4   3.0/943=71, 3845/2364=46, 3.6/954=39, 5.8/933=36...(10)
      HA    LEU   62 + HB3   LEU   65  OK    75    97  78 100  4.0-4.5   2368/3.1=68, 203/933=59, 2369/3.1=52, 2356/1.8=50...(11)
      HA    LEU   84 - HB3   LEU   65  far    0    60   0   -  6.0-7.2
      HD3   PRO  112 - HB3   LEU   65  far    0    93   0   -  8.1-9.2
      HA    GLU  113 - HB3   LEU   65  far    0    99   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2356 from c13no.peaks (3.78, 1.95, 44.11 ppm; 4.27 A):
    2 out of 5 assignments used, quality = 1.00:
      HA    LEU   62 + HB2   LEU   65  OK    99   100 100  99  2.4-2.9   2368/3.1=66, 203/930=58, 2369/3.1=46, 147/2366=45...(12)
      HA    ARG   66 + HB2   LEU   65  OK    52    89  60  97  4.1-4.6   ~943=46, 2355/1.8=41, 5.8/930=35, 3845/2365=33...(10)
      HA    LEU   84 - HB2   LEU   65  far    0    83   0   -  6.9-7.9
      HA    GLU  113 - HB2   LEU   65  far    0    92   0   -  7.9-8.8
      HD3   PRO  112 - HB2   LEU   65  far    0    76   0   -  8.3-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2357 from c13no.peaks (1.35, 0.75, 26.34 ppm; 3.55 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   65 + QD1   LEU   65  OK   100   100 100 100  2.7-3.1   3.1=100
      HB3   LEU   89 - QD1   LEU   65  far    0    87   0   -  6.3-8.0
      HB3   LEU   93 - QD1   LEU   65  far    0    87   0   -  7.0-8.6
      HB3   LEU   86 - QD1   LEU   65  far    0    95   0   -  9.2-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2358 from c13no.peaks (1.95, 0.75, 26.34 ppm; 3.55 A):
    1 out of 6 assignments used, quality = 1.00:
      HB2   LEU   65 + QD1   LEU   65  OK   100   100 100 100  1.9-2.0   3.1=100
      HB2   LEU   93 - QD1   LEU   65  far    0    92   0   -  6.5-7.8
      QB    ARG   46 - QD1   LEU   65  far    0    81   0   -  8.2-9.1
      HB2   GLU   53 - QD1   LEU   65  far    0    63   0   -  8.5-9.1
      HB3   GLU  113 - QD1   LEU   65  far    0    65   0   -  8.6-9.6
      HG    LEU  118 - QD1   LEU   65  far    0    97   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2359 from c13no.peaks (3.26, 0.60, 25.69 ppm; 3.90 A):
    1 out of 5 assignments used, quality = 1.00:
      HB2   PHE   50 + QD2   LEU   65  OK   100   100 100 100  2.5-3.0   2.5/281=77, 1.8/2370=76, 2014=70, 772/779=49...(13)
      HB2   PHE   47 - QD2   LEU   65  far   16    89  18   -  3.6-4.8
      QD    ARG   46 - QD2   LEU   65  far    0   100   0   -  7.3-9.0
      HD2   ARG   70 - QD2   LEU   65  far    0    63   0   -  9.1-10.4
      HD3   PRO   97 - QD2   LEU   65  far    0    83   0   -  9.4-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2360 from c13no.peaks (3.07, 0.60, 25.69 ppm; 5.02 A increased from 4.23 A):
    1 out of 4 assignments used, quality = 0.76:
      HB3   PHE   92 + QD2   LEU   65  OK    76    76 100 100  3.4-4.9   3.0/3229=73, 2.4/2402=70, 3233/2.1=69, ~2395=68...(15)
      HB2   PHE   92 - QD2   LEU   65  poor  16    63  25   -  4.5-6.1
      HB2   CYS   49 - QD2   LEU   65  far    0    99   0   -  7.0-7.7
      HD2   ARG   66 - QD2   LEU   65  far    0    92   0   -  7.4-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2361 from c13no.peaks (0.29, 0.75, 26.34 ppm; 3.78 A):
    1 out of 2 assignments used, quality = 0.99:
      QD2   LEU   62 + QD1   LEU   65  OK    99    99 100 100  1.9-3.2   2261=89, 147/2368=47, 147/2395=46, 1595/1598=36...(19)
      QD1   LEU   73 - QD1   LEU   65  far    0    95   0   -  7.2-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2362 from c13no.peaks (0.98, 0.75, 26.34 ppm; 3.08 A):
    1 out of 4 assignments used, quality = 0.99:
      HG    LEU   65 + QD1   LEU   65  OK    99    99 100 100  2.1-2.1   2.1=100
      QD2   LEU   68 - QD1   LEU   65  far    0    90   0   -  6.2-7.2
      QG2   VAL  119 - QD1   LEU   65  far    0   100   0   -  6.4-7.5
      QD2   LEU   87 - QD1   LEU   65  far    0    90   0   -  7.5-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2363 from c13no.peaks (0.75, 0.98, 27.31 ppm; 3.58 A):
    1 out of 4 assignments used, quality = 1.00:
      QD1   LEU   65 + HG    LEU   65  OK   100   100 100 100  2.1-2.1   2.1=100
      QD1   LEU   87 - HG    LEU   65  far    0    92   0   -  6.6-9.1
      QD2   LEU   89 - HG    LEU   65  far    0    89   0   -  6.8-9.5
      QD1   LEU   84 - HG    LEU   65  far    0    92   0   -  8.1-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2364 from c13no.peaks (0.92, 1.35, 44.11 ppm; 3.97 A):
    1 out of 4 assignments used, quality = 0.89:
      QG1   VAL   88 + HB3   LEU   65  OK    89    96  95  98  2.1-4.1   2365/1.8=74, 945/943=43, 2262/2367=37, 2762/315=36...(10)
      QD2   LEU   86 - HB3   LEU   65  far    0    60   0   -  9.5-10.6
      QD1   LEU   93 - HB3   LEU   65  far    0    90   0   -  9.6-10.6
    Violated in 3 structures by 0.01 A.
 
    Peak 2365 from c13no.peaks (0.92, 1.95, 44.11 ppm; 4.00 A):
    1 out of 2 assignments used, quality = 0.85:
      QG1   VAL   88 + HB2   LEU   65  OK    85    87 100  98  2.1-3.7   2364/1.8=75, 3146=50, 945/4.6=36, 2262/2366=33...(10)
      QD1   LEU   93 - HB2   LEU   65  far    0    97   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2366 from c13no.peaks (0.28, 1.95, 44.11 ppm; 5.01 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + HB2   LEU   65  OK   100   100 100 100  3.1-3.5   2261/3.1=88, 2367/1.8=79, 2262/2365=65, 938/930=61...(12)
      QD1   LEU   73 - HB2   LEU   65  far    0   100   0   -  7.1-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2367 from c13no.peaks (0.28, 1.35, 44.11 ppm; 5.04 A):
    1 out of 4 assignments used, quality = 0.98:
      QD2   LEU   62 + HB3   LEU   65  OK    98    98 100 100  4.1-4.6   2261/3.1=87, 2366/1.8=80, 2262/2364=76, 2375/3.0=62...(10)
      QD1   LEU   73 - HB3   LEU   65  far    0   100   0   -  6.0-7.1
      HB3   ARG   44 - HB3   LEU   65  far    0    87   0   -  9.8-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2368 from c13no.peaks (3.79, 0.75, 26.34 ppm; 3.89 A):
    1 out of 8 assignments used, quality = 0.98:
      HA    LEU   62 + QD1   LEU   65  OK    98    99 100 100  1.8-2.2   147/2361=51, 2369/2.1=47, 203/936=47, 3.0/887=45...(16)
      HA    ARG   66 - QD1   LEU   65  far    0    97   0   -  5.5-5.9
      HA    GLU  113 - QD1   LEU   65  far    0    98   0   -  6.5-7.6
      HD3   PRO  112 - QD1   LEU   65  far    0    89   0   -  6.8-8.1
      HA    LEU   84 - QD1   LEU   65  far    0    68   0   -  7.2-8.5
      HA2   GLY   94 - QD1   LEU   65  far    0   100   0   -  8.0-8.8
      HD2   PRO   97 - QD1   LEU   65  far    0    60   0   -  8.1-9.4
      HD3   PRO   58 - QD1   LEU   65  far    0    68   0   -  8.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2369 from c13no.peaks (3.79, 0.60, 25.69 ppm; 4.88 A increased from 4.11 A):
    1 out of 6 assignments used, quality = 0.95:
      HA    LEU   62 + QD2   LEU   65  OK    95    95 100 100  4.4-4.8   2368/2.1=93, 203/937=69, 2380/2.1=68, 1603/1597=51...(13)
      HA    ARG   66 - QD2   LEU   65  far    0    99   0   -  5.5-5.8
      HA2   GLY   94 - QD2   LEU   65  far    0    99   0   -  7.7-9.1
      HD3   PRO  112 - QD2   LEU   65  far    0    96   0   -  8.0-9.4
      HA    GLU  113 - QD2   LEU   65  far    0   100   0   -  8.8-9.9
      HD2   PRO   97 - QD2   LEU   65  far    0    73   0   -  9.0-10.5
    Violated in 1 structures by 0.00 A.
 
    Peak 2370 from c13no.peaks (2.61, 0.60, 25.69 ppm; 3.85 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   PHE   50 + QD2   LEU   65  OK   100   100 100 100  2.0-2.5   2.5/281=76, 1.8/2359=73, 2011=70, 775/779=47...(12)
      HB2   CYS   69 - QD2   LEU   65  far    0    96   0   -  5.2-6.6
      HD3   ARG   44 - QD2   LEU   65  far    0   100   0   -  8.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2371 from c13no.peaks (1.33, 0.60, 25.69 ppm; 3.52 A):
    1 out of 5 assignments used, quality = 0.78:
      HB3   LEU   65 + QD2   LEU   65  OK    78    78 100 100  1.9-2.7   3.1=100
      HB3   LEU   62 - QD2   LEU   65  far    0    95   0   -  5.8-7.0
      HB3   LEU   89 - QD2   LEU   65  far    0    99   0   -  7.1-8.8
      HB3   LEU   86 - QD2   LEU   65  far    0    97   0   -  8.8-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2372 from c13no.peaks (0.99, 0.60, 25.69 ppm; 3.32 A):
    1 out of 5 assignments used, quality = 0.96:
      HG    LEU   65 + QD2   LEU   65  OK    96    96 100 100  2.1-2.1   2.1=100
      QD2   LEU   68 - QD2   LEU   65  far    0    81   0   -  4.6-5.6
      QD2   LEU   87 - QD2   LEU   65  far    0    97   0   -  6.6-7.3
      QG2   VAL  119 - QD2   LEU   65  far    0    99   0   -  8.2-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2373 from c13no.peaks (0.75, 0.60, 25.69 ppm; 2.67 A):
    1 out of 6 assignments used, quality = 1.00:
      QD1   LEU   65 + QD2   LEU   65  OK   100   100 100 100  1.9-2.1   2.1=100
      QD1   LEU   87 - QD2   LEU   65  far    0    97   0   -  5.4-6.8
      QD2   LEU   89 - QD2   LEU   65  far    0    96   0   -  6.2-7.9
      QD1   LEU   84 - QD2   LEU   65  far    0    97   0   -  6.9-7.6
      QD2   LEU   45 - QD2   LEU   65  far    0    83   0   -  7.9-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2374 from c13no.peaks (0.29, 0.60, 25.69 ppm; 3.81 A):
    0 out of 4 assignments used, quality = 0.00:
      QD2   LEU   62 + QD2   LEU   65  far    0   100   0   -  4.1-5.1
      QD1   LEU   73 + QD2   LEU   65  far    0    99   0   -  6.2-7.1
      HB3   ARG   44 + QD2   LEU   65  far    0    99   0   -  8.1-9.8
    Violated in 20 structures by 0.66 A.
 
    Peak 2375 from c13no.peaks (0.28, 0.98, 27.31 ppm; 5.34 A increased from 4.50 A):
    1 out of 2 assignments used, quality = 0.98:
      QD2   LEU   62 + HG    LEU   65  OK    98    98 100 100  4.0-5.2   2261/2.1=98, 2367/3.0=74, 2366/3.0=74, 2315/2393=62...(11)
      QD1   LEU   73 - HG    LEU   65  far    0   100   0   -  7.5-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2376 from c13no.peaks (1.34, 0.98, 27.31 ppm; 4.55 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LEU   65 + HG    LEU   65  OK   100   100 100 100  2.2-3.0   3.0=100
      HB3   LEU   89 - HG    LEU   65  far    0    97   0   -  7.7-10.9
      HB3   LEU   93 - HG    LEU   65  far    0    71   0   -  8.3-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2377 from c13no.peaks (1.95, 0.98, 27.31 ppm; 4.72 A):
    1 out of 4 assignments used, quality = 1.00:
      HB2   LEU   65 + HG    LEU   65  OK   100   100 100 100  2.6-2.7   3.0=100
      HB2   LEU   93 - HG    LEU   65  far    0    81   0   -  7.9-11.6
      QB    ARG   46 - HG    LEU   65  far    0    65   0   -  8.1-9.8
      QB    ARG   70 - HG    LEU   65  far    0    65   0   -  8.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2378 from c13no.peaks (1.04, 3.92, 58.51 ppm; 3.78 A):
    1 out of 2 assignments used, quality = 0.96:
      QD1   LEU   68 + HA    LEU   65  OK    96    97 100  98  2.1-3.5   2485=95, 2511/2386=19, 2464/6.0=18, 2513/6.3=16...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2379 from c13no.peaks (4.43, 0.60, 25.69 ppm; 4.58 A):
    1 out of 1 assignment used, quality = 0.89:
      HA    PHE   47 + QD2   LEU   65  OK    89   100 100  89  3.3-4.1   101/2404=69, 5.6/319=43, 7.2/291=24, 59/2014=17
    Violated in 0 structures by 0.00 A.
 
    Peak 2380 from c13no.peaks (3.79, 0.98, 27.31 ppm; 5.26 A):
    1 out of 5 assignments used, quality = 0.95:
      HA    LEU   62 + HG    LEU   65  OK    95    95 100 100  3.6-4.4   2368/2.1=97, 2369/2.1=84, 203/935=71, 4.0/2375=58...(13)
      HA    ARG   66 - HG    LEU   65  far    0    99   0   -  6.3-6.5
      HD3   PRO  112 - HG    LEU   65  far    0    96   0   -  8.5-11.1
      HA    GLU  113 - HG    LEU   65  far    0   100   0   -  9.1-10.2
      HA2   GLY   94 - HG    LEU   65  far    0    99   0   -  9.5-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2381 from c13no.peaks (7.37, 1.35, 44.11 ppm; 4.82 A):
    1 out of 4 assignments used, quality = 1.00:
      QE    PHE   47 + HB3   LEU   65  OK   100   100 100 100  1.9-2.2   315=97, 2.2/302=84, 319/3.1=83, 93/3.0=76...(18)
      H     GLU   67 - HB3   LEU   65  far    0    93   0   -  5.1-5.4
      HH2   TRP   72 - HB3   LEU   65  far    0    73   0   -  8.8-9.5
      H     TRP   72 - HB3   LEU   65  far    0    63   0   -  9.3-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2382 from c13no.peaks (8.64, 1.35, 44.11 ppm; 3.92 A):
    1 out of 1 assignment used, quality = 0.95:
      H     LEU   65 + HB3   LEU   65  OK    95    95 100 100  3.5-3.6   933=95, 930/1.8=82, 2400/3.1=56, 2408/3.1=54...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 2383 from c13no.peaks (7.38, 1.95, 44.11 ppm; 5.02 A):
    2 out of 2 assignments used, quality = 1.00:
      H     GLU   67 + HB2   LEU   65  OK    99    99 100 100  4.6-5.0   954/1.8=69, 209/4.6=68, 952/5.8=49, 214/6.2=42...(12)
      QE    PHE   47 + HB2   LEU   65  OK    96    96 100 100  3.5-3.8   315/1.8=93, 319/3.1=84, 93/3.0=77, 317/3.0=70...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 2384 from c13no.peaks (8.64, 1.95, 44.11 ppm; 3.90 A):
    1 out of 1 assignment used, quality = 0.95:
      H     LEU   65 + HB2   LEU   65  OK    95    95 100 100  2.2-2.5   930=94, 933/1.8=75, 2400/3.1=56, 2408/3.1=54...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 2385 from c13no.peaks (6.94, 3.92, 58.51 ppm; 5.14 A):
    0 out of 1 assignment used, quality = 0.00:
      QD    PHE   92 + HA    LEU   65  far    0    81   0   -  6.8-7.5
    Violated in 20 structures by 2.09 A.
 
    Peak 2386 from c13no.peaks (7.25, 3.92, 58.51 ppm; 4.50 A):
    1 out of 1 assignment used, quality = 0.98:
      QD    PHE   47 + HA    LEU   65  OK    98    98 100 100  2.3-2.7   102=74, 2404/793=71, 302/3.0=67, 2.2/93=49...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2387 from c13no.peaks (7.37, 3.92, 58.51 ppm; 4.58 A):
    2 out of 3 assignments used, quality = 1.00:
      QE    PHE   47 + HA    LEU   65  OK   100   100 100 100  2.8-3.9   315/3.0=75, 2.2/2386=75, 319/793=74, 93=63...(8)
      H     GLU   67 + HA    LEU   65  OK    82    83 100  99  3.9-4.4   210/3.6=63, 954/3.0=41, 952/5.5=37, 214/5.4=36...(14)
      H     TRP   72 - HA    LEU   65  far    0    78   0   -  8.5-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2388 from c13no.peaks (8.65, 3.92, 58.51 ppm; 3.84 A):
    2 out of 2 assignments used, quality = 0.94:
      H     LEU   65 + HA    LEU   65  OK    76    76 100 100  2.8-2.9   3.0=100
      H     ARG   66 + HA    LEU   65  OK    73    73 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2389 from c13no.peaks (8.14, 1.95, 44.11 ppm; 5.34 A):
    2 out of 3 assignments used, quality = 1.00:
      H     GLN   64 + HB2   LEU   65  OK    99    99 100 100  4.3-4.8   201/930=91, 208/4.6=65, 2407/3.1=64, 6.7=51...(13)
      H     LEU   62 + HB2   LEU   65  OK    90    90 100 100  4.8-5.4   887/3.1=72, 2313/2366=63, 3.0/2356=57, ~2368=51...(12)
      H     LEU   93 - HB2   LEU   65  far    0   100   0   -  7.6-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2390 from c13no.peaks (8.14, 1.35, 44.11 ppm; 5.50 A increased from 5.31 A):
    0 out of 3 assignments used, quality = 0.00:
      H     GLN   64 + HB3   LEU   65  far    0    99   0   -  5.9-6.1
      H     LEU   62 + HB3   LEU   65  far    0    90   0   -  6.5-7.0
      H     LEU   93 + HB3   LEU   65  far    0   100   0   -  7.4-8.2
    Violated in 6 structures by 0.01 A.
 
    Peak 2391 from c13no.peaks (7.37, 0.98, 27.31 ppm; 5.23 A):
    1 out of 2 assignments used, quality = 1.00:
      QE    PHE   47 + HG    LEU   65  OK   100   100 100 100  2.5-4.6   319/2.1=99, 2397/2.1=93, 315/3.0=88, 317=78...(14)
      H     GLU   67 - HG    LEU   65  far    0    83   0   -  5.7-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2392 from c13no.peaks (8.14, 0.98, 27.31 ppm; 5.50 A increased from 5.41 A):
    2 out of 3 assignments used, quality = 0.81:
      H     GLN   64 + HG    LEU   65  OK    59    99  60 100  4.2-6.4   181/2393=85, 2407/2.1=77, 208/5.6=56, 6.3/166=51...(15)
      H     LEU   62 + HG    LEU   65  OK    52    90  58 100  5.1-6.2   887/2.1=84, 3.0/2380=74, ~2368=67, 3.6/1599=62...(13)
      H     LEU   93 - HG    LEU   65  far    0   100   0   -  5.8-8.8
    Violated in 6 structures by 0.02 A.
 
    Peak 2393 from c13no.peaks (8.64, 0.98, 27.31 ppm; 4.18 A):
    1 out of 1 assignment used, quality = 0.89:
      H     LEU   65 + HG    LEU   65  OK    89    89 100 100  2.2-4.2   2400/2.1=77, 935=77, 2408/2.1=74, 3.0/166=66...(16)
    Violated in 2 structures by 0.00 A.
 
    Peak 2394 from c13no.peaks (3.99, 0.75, 26.34 ppm; 3.38 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    PHE   92 + QD1   LEU   65  OK   100   100 100 100  2.3-3.2   3230=95, 3.0/2401=41, 3.7/2395=40, 3.0/3233=38...(20)
      HA    GLN   91 - QD1   LEU   65  far    0    85   0   -  5.0-5.8
      HA    PRO  112 - QD1   LEU   65  far    0    98   0   -  5.4-6.4
      HA    ARG   46 - QD1   LEU   65  far    0    99   0   -  9.4-10.2
      HB3   SER  111 - QD1   LEU   65  far    0   100   0   -  9.9-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2395 from c13no.peaks (6.93, 0.75, 26.34 ppm; 3.57 A):
    1 out of 3 assignments used, quality = 0.91:
      QD    PHE   92 + QD1   LEU   65  OK    91    92 100 100  2.1-2.9   2.4/3233=49, 3.7/2394=47, 149=41, 147/2361=38...(17)
      H     LEU   96 - QD1   LEU   65  far    0   100   0   -  6.0-7.9
      HE22  GLN   59 - QD1   LEU   65  far    0    85   0   -  8.2-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2396 from c13no.peaks (7.03, 0.75, 26.34 ppm; 3.76 A):
    1 out of 3 assignments used, quality = 1.00:
      QD    PHE   50 + QD1   LEU   65  OK   100   100 100 100  2.5-3.5   284=100, 281/2.1=79, 283/2.1=70, 2.2/271=63...(16)
      QE    PHE   92 - QD1   LEU   65  poor  15    76  20   -  3.7-4.6
      HD2   HIS   51 - QD1   LEU   65  far    0    97   0   -  7.9-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2397 from c13no.peaks (7.37, 0.75, 26.34 ppm; 4.29 A increased from 4.04 A):
    1 out of 2 assignments used, quality = 1.00:
      QE    PHE   47 + QD1   LEU   65  OK   100   100 100 100  3.5-4.2   319/2.1=87, 315/3.1=66, 317/2.1=63, 318=61...(15)
      H     GLU   67 - QD1   LEU   65  far    0    83   0   -  5.6-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2398 from c13no.peaks (7.25, 0.75, 26.34 ppm; 4.96 A increased from 4.18 A):
    1 out of 1 assignment used, quality = 0.96:
      QD    PHE   47 + QD1   LEU   65  OK    96    98  98 100  4.3-5.1   304=98, 2404/2.1=97, 2.2/2397=88, 302/3.1=76...(13)
    Violated in 2 structures by 0.01 A.
 
    Peak 2399 from c13no.peaks (8.14, 0.75, 26.34 ppm; 4.30 A):
    2 out of 4 assignments used, quality = 0.98:
      H     LEU   62 + QD1   LEU   65  OK    90    90 100 100  3.2-3.7   887=71, 3.0/2368=70, 3.6/1598=62, 2313/2361=56...(16)
      H     GLN   64 + QD1   LEU   65  OK    84    99  85 100  3.6-4.5   201/936=65, 208/946=48, 2407/2.1=45, 180/906=43...(18)
      H     LEU   93 - QD1   LEU   65  far    0   100   0   -  4.9-5.7
      HE1   HIS   51 - QD1   LEU   65  far    0    78   0   -  8.6-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2400 from c13no.peaks (8.64, 0.75, 26.34 ppm; 3.93 A):
    1 out of 1 assignment used, quality = 0.89:
      H     LEU   65 + QD1   LEU   65  OK    89    89 100 100  2.2-3.2   936=88, 2408/2.1=68, 2393/2.1=64, 930/3.1=58...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 2401 from c13no.peaks (9.16, 0.75, 26.34 ppm; 4.14 A):
    1 out of 1 assignment used, quality = 0.99:
      H     PHE   92 + QD1   LEU   65  OK    99    99 100 100  3.1-4.0   1170=96, 3.0/2394=75, 1171/2.1=57, 4.5/2395=48...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2402 from c13no.peaks (6.93, 0.60, 25.69 ppm; 5.18 A increased from 4.14 A):
    1 out of 2 assignments used, quality = 0.92:
      QD    PHE   92 + QD2   LEU   65  OK    92    92 100 100  4.1-5.2   2395/2.1=99, 2.4/2360=77, 3.7/3229=68, ~3233=64...(13)
      H     LEU   96 - QD2   LEU   65  far    0   100   0   -  6.4-8.4
    Violated in 1 structures by 0.00 A.
 
    Peak 2403 from c13no.peaks (7.03, 0.60, 25.69 ppm; 3.84 A):
    1 out of 3 assignments used, quality = 1.00:
      QD    PHE   50 + QD2   LEU   65  OK   100   100 100 100  2.0-2.5   281=100, 284/2.1=76, 283/2.1=72, 2.5/2370=64...(17)
      QE    PHE   92 - QD2   LEU   65  far    0    76   0   -  5.7-6.8
      HD2   HIS   51 - QD2   LEU   65  far    0    97   0   -  7.9-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2404 from c13no.peaks (7.25, 0.60, 25.69 ppm; 3.68 A):
    1 out of 1 assignment used, quality = 0.98:
      QD    PHE   47 + QD2   LEU   65  OK    98    98 100 100  1.9-2.9   303=80, 2.2/319=68, 302/3.1=44, 102/3.7=41...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2405 from c13no.peaks (7.37, 0.60, 25.69 ppm; 3.75 A):
    1 out of 4 assignments used, quality = 1.00:
      QE    PHE   47 + QD2   LEU   65  OK   100   100 100 100  1.9-2.6   319=100, 2.2/2404=70, 2397/2.1=57, 2.2/291=53...(17)
      H     GLU   67 - QD2   LEU   65  far    0    83   0   -  5.1-6.2
      H     TRP   72 - QD2   LEU   65  far    0    78   0   -  8.4-9.2
      HZ2   TRP   72 - QD2   LEU   65  far    0   100   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2406 from c13no.peaks (7.74, 0.60, 25.69 ppm; 5.39 A):
    1 out of 3 assignments used, quality = 0.88:
      H     HIS   51 + QD2   LEU   65  OK    88    90  98 100  4.7-5.2   4.4/281=81, 4.6/2370=72, 4.6/2359=71, 76/272=71...(7)
      H     GLU   90 - QD2   LEU   65  far    0    99   0   -  6.0-7.5
      H     ALA   63 - QD2   LEU   65  far    0    95   0   -  6.2-7.0
    Violated in 3 structures by 0.01 A.
 
    Peak 2407 from c13no.peaks (8.13, 0.60, 25.69 ppm; 5.50 A increased from 5.13 A):
    1 out of 5 assignments used, quality = 0.52:
      H     GLN   64 + QD2   LEU   65  OK    52   100  53 100  4.5-5.8   181/2408=88, 208/947=64, 6.3/793=54, 6.9=50...(14)
      H     LEU   93 - QD2   LEU   65  far    7   100   8   -  5.4-6.8
      H     LEU   62 - QD2   LEU   65  far    0    98   0   -  5.6-6.2
      H     LEU   45 - QD2   LEU   65  far    0    87   0   -  8.6-9.3
      HE1   HIS   51 - QD2   LEU   65  far    0    60   0   -  8.7-9.2
    Violated in 14 structures by 0.14 A.
 
    Peak 2408 from c13no.peaks (8.64, 0.60, 25.69 ppm; 4.06 A):
    1 out of 2 assignments used, quality = 0.89:
      H     LEU   65 + QD2   LEU   65  OK    89    89 100 100  2.8-3.9   937=88, 2400/2.1=74, 3.0/793=72, 2393/2.1=68...(15)
      HE    ARG   44 - QD2   LEU   65  far    0    95   0   -  9.4-11.3
    Violated in 1 structures by 0.00 A.
 
    Peak 2409 from c13no.peaks (9.16, 0.60, 25.69 ppm; 5.19 A):
    1 out of 1 assignment used, quality = 0.99:
      H     PHE   92 + QD2   LEU   65  OK    99    99 100 100  3.3-4.7   1171=99, 2401/2.1=95, 3.0/3229=77, ~2394=67...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2410 from c13no.peaks (1.86, 1.59, 30.54 ppm; 3.21 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    ARG   66 + QG    ARG   66  OK   100   100 100 100  2.0-2.1   2.1=100
      HB2   LYS   80 - QG    ARG   66  far    0    92   0   -  5.7-8.3
      HG2   GLN   91 - QG    ARG   66  far    0    83   0   -  8.3-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2411 from c13no.peaks (1.12, 1.59, 30.54 ppm; 4.73 A increased from 4.20 A):
    1 out of 2 assignments used, quality = 0.92:
      QG2   VAL   88 + QG    ARG   66  OK    92   100  93 100  3.8-5.0   2425/2.1=93, 2429/3.3=82, 944/942=70, 2.1/2412=66...(9)
    Violated in 4 structures by 0.03 A.
 
    Peak 2412 from c13no.peaks (0.90, 1.59, 30.54 ppm; 5.18 A increased from 4.60 A):
    1 out of 3 assignments used, quality = 1.00:
      QG1   VAL   88 + QG    ARG   66  OK   100   100 100 100  4.1-5.2   3147/2.1=98, 2.1/2411=86, 2430/3.3=78, ~2425=74...(11)
      QD2   LEU   86 - QG    ARG   66  far    0    92   0   -  9.7-11.1
    Violated in 1 structures by 0.00 A.
 
    Peak 2413 from c13no.peaks (0.75, 1.59, 30.54 ppm; 5.50 A increased from 5.28 A):
    2 out of 5 assignments used, quality = 1.00:
      QD1   LEU   65 + QG    ARG   66  OK    99   100 100  99  5.0-5.4   946/942=81, 6.7=55, 936/6.6=47, 7.4/953=34...(10)
      QD1   LEU   84 + QG    ARG   66  OK    26    96  30  92  5.0-6.2   2431/3.3=82, 2427/2.1=56
      QD1   LEU   87 - QG    ARG   66  far    0    96   0   -  6.5-8.1
      QD2   LEU   89 - QG    ARG   66  far    0    93   0   -  9.1-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2415 from c13no.peaks (3.04, 1.59, 30.54 ppm; 4.45 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   ARG   66 + QG    ARG   66  OK   100   100 100 100  2.2-2.5   2.5=100
      HB3   PHE   92 - QG    ARG   66  far    0    97   0   -  7.4-8.5
      HB3   PHE   47 - QG    ARG   66  far    0    99   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2416 from c13no.peaks (3.09, 1.59, 30.54 ppm; 4.24 A):
    1 out of 4 assignments used, quality = 1.00:
      HD2   ARG   66 + QG    ARG   66  OK   100   100 100 100  2.2-2.5   2.5=100
      HA    CYS   69 - QG    ARG   66  far    0    73   0   -  7.4-7.9
      HB2   PHE   92 - QG    ARG   66  far    0    97   0   -  8.8-9.8
      HE2   LYS   80 - QG    ARG   66  far    0    97   0   -  8.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2417 from c13no.peaks (3.80, 1.59, 30.54 ppm; 4.21 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    ARG   66 + QG    ARG   66  OK   100   100 100 100  3.3-3.4   3.3=100
      HA    LEU   62 - QG    ARG   66  far    0    78   0   -  4.4-5.0
      HA    LYS   80 - QG    ARG   66  far    0    95   0   -  7.2-8.7
      HA    GLU  113 - QG    ARG   66  far    0   100   0   -  7.7-9.0
      HD3   PRO  112 - QG    ARG   66  far    0   100   0   -  9.2-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2418 from c13no.peaks (4.10, 1.59, 30.54 ppm; 5.04 A):
    2 out of 3 assignments used, quality = 1.00:
      HA    ALA   63 + QG    ARG   66  OK    99   100 100  99  2.0-2.3   2422/2.5=76, 2421/2.5=74, 213/942=72, 8.3/2413=16
      HA    GLN   64 + QG    ARG   66  OK    71    76 100  93  4.0-4.5   214/4.2=63, 6.7/942=38, 6.1/2413=27, 8.1=24...(7)
      HA    GLU   85 - QG    ARG   66  far    0    73   0   -  6.6-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2419 from c13no.peaks (1.86, 3.04, 43.48 ppm; 3.38 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    ARG   66 + HD3   ARG   66  OK   100   100 100 100  2.0-2.7   3.3=100
      HB2   LYS   80 - HD3   ARG   66  far    0    92   0   -  5.1-9.7
      HB2   LYS   80 - HD2   ARG   78  far    0    60   0   -  8.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2420 from c13no.peaks (1.59, 3.04, 43.48 ppm; 3.72 A):
    1 out of 8 assignments used, quality = 1.00:
      QG    ARG   66 + HD3   ARG   66  OK   100   100 100 100  2.2-2.5   2.5=100
      HG2   LYS   80 - HD3   ARG   66  far    0    60   0   -  5.0-9.7
      QG    ARG   74 - HD2   ARG   78  far    0    68   0   -  9.4-10.6
      QB    ALA   43 - HD3   ARG   66  far    0    90   0   -  9.5-12.2
      QG    ARG   74 - HD3   ARG   66  far    0    99   0   -  9.6-13.4
      HG2   LYS   80 - HD2   ARG   78  far    0    35   0   -  9.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2421 from c13no.peaks (4.10, 3.04, 43.48 ppm; 4.88 A):
    1 out of 5 assignments used, quality = 0.96:
      HA    ALA   63 + HD3   ARG   66  OK    96   100 100  96  2.1-4.7   2422/1.8=81, 213/2439=55, 2418/2.5=39, ~2806=12
      HA    GLN   64 - HD3   ARG   66  far    0    87   0   -  5.9-7.4
      HA    GLU   85 - HD3   ARG   66  far    0    60   0   -  6.7-9.2
      HA    ARG   74 - HD3   ARG   66  far    0    57   0   -  8.9-13.1
      HA    ARG   74 - HD2   ARG   78  far    0    34   0   -  9.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2422 from c13no.peaks (4.10, 3.09, 43.48 ppm; 4.82 A):
    1 out of 5 assignments used, quality = 0.94:
      HA    ALA   63 + HD2   ARG   66  OK    94   100 100  94  2.0-4.4   2421/1.8=78, 213/2441=50, 2418/2.5=39, 2.1/2806=7
      HA    GLN   64 - HD2   ARG   66  far    0    87   0   -  5.3-7.5
      HA    GLU   85 - HD2   ARG   66  far    0    60   0   -  7.4-10.1
      HA    ARG   74 - HD2   ARG   78  far    0    32   0   -  9.1-10.0
      HA    ARG   74 - HD2   ARG   66  far    0    57   0   -  9.3-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2423 from c13no.peaks (1.86, 3.09, 43.48 ppm; 3.44 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    ARG   66 + HD2   ARG   66  OK   100   100 100 100  2.2-3.3   3.3=100
      HB2   LYS   80 - HD2   ARG   66  far    0    92   0   -  5.6-9.6
      HB2   LYS   80 - HD2   ARG   78  far    0    57   0   -  8.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2424 from c13no.peaks (1.59, 3.09, 43.48 ppm; 3.61 A):
    1 out of 8 assignments used, quality = 1.00:
      QG    ARG   66 + HD2   ARG   66  OK   100   100 100 100  2.2-2.5   2.5=100
      HG2   LYS   80 - HD2   ARG   66  far    0    60   0   -  5.7-9.7
      QB    ALA   43 - HD2   ARG   66  far    0    90   0   -  9.1-12.1
      QG    ARG   74 - HD2   ARG   78  far    0    66   0   -  9.4-10.6
      HG2   LYS   80 - HD2   ARG   78  far    0    34   0   -  9.7-10.5
      QG    ARG   74 - HD2   ARG   66  far    0    99   0   -  9.9-13.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2425 from c13no.peaks (1.12, 1.86, 30.54 ppm; 3.76 A):
    1 out of 2 assignments used, quality = 1.00:
      QG2   VAL   88 + QB    ARG   66  OK   100   100 100 100  2.5-3.4   3145=79, 2429/2.5=70, 2.1/3147=68, 944/941=55...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2426 from c13no.peaks (0.90, 1.86, 30.54 ppm; 3.86 A):
    1 out of 3 assignments used, quality = 1.00:
      QG1   VAL   88 + QB    ARG   66  OK   100   100 100 100  3.0-3.8   3147=100, 2.1/2425=72, 2430/2.5=54, 2767/941=49...(13)
      QD2   LEU   86 - QB    ARG   66  far    0    92   0   -  8.1-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2427 from c13no.peaks (0.75, 1.86, 30.54 ppm; 4.96 A increased from 4.41 A):
    2 out of 5 assignments used, quality = 0.88:
      QD1   LEU   84 + QB    ARG   66  OK    77    96  98  83  3.7-4.8   2431/2.5=80, 2413/2.1=14
      QD1   LEU   65 + QB    ARG   66  OK    45   100  45 100  4.9-5.4   946/941=78, 5.8=61, 2413/2.1=51, ~947=43...(10)
      QD1   LEU   87 - QB    ARG   66  far    0    96   0   -  5.1-6.7
      QD2   LEU   89 - QB    ARG   66  far    0    93   0   -  8.0-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2428 from c13no.peaks (3.04, 1.86, 30.54 ppm; 3.83 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   ARG   66 + QB    ARG   66  OK   100   100 100 100  2.0-2.7   3.3=100
      HB3   PHE   92 - QB    ARG   66  far    0    97   0   -  6.9-7.7
      HB3   PHE   47 - QB    ARG   66  far    0    99   0   -  9.1-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2429 from c13no.peaks (1.12, 3.80, 60.81 ppm; 3.40 A):
    1 out of 4 assignments used, quality = 0.98:
      QG2   VAL   88 + HA    ARG   66  OK    98   100 100  98  1.9-2.9   2425/2.5=52, 944/3.0=45, 2.1/2430=44, 2411/3.3=31...(12)
      QG2   VAL   88 - HA    GLU  113  far    0    57   0   -  7.1-8.0
      QG1   VAL  119 - HA    GLU  113  far    0    38   0   -  7.3-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2430 from c13no.peaks (0.90, 3.80, 60.81 ppm; 4.33 A increased from 4.08 A):
    1 out of 7 assignments used, quality = 1.00:
      QG1   VAL   88 + HA    ARG   66  OK   100   100 100 100  3.7-4.2   2.1/2429=92, 3147/2.5=78, 2767/3.0=64, ~2425=49...(12)
      QG1   VAL   88 - HA    GLU  113  far    0    58   0   -  5.0-5.7
      QD2   LEU  118 - HA    GLU  113  far    0    53   0   -  6.7-6.7
      QD1   LEU  118 - HA    GLU  113  far    0    31   0   -  7.8-7.9
      QD2   LEU   86 - HA    ARG   66  far    0    92   0   -  8.7-9.7
      QG2   ILE  100 - HA    GLU  113  far    0    57   0   -  9.9-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2431 from c13no.peaks (0.75, 3.80, 60.81 ppm; 4.49 A increased from 3.99 A):
    1 out of 7 assignments used, quality = 0.67:
      QD1   LEU   84 + HA    ARG   66  OK    67    96  98  72  3.5-4.5   3002/2546=38, 2427/2.5=38, 2560/2541=18, 2413/3.3=9
      QD1   LEU   87 - HA    ARG   66  far    5    96   5   -  4.2-5.9
      QD1   LEU   65 - HA    ARG   66  far    0   100   0   -  5.5-5.9
      QD2   LEU   89 - HA    GLU  113  far    0    49   0   -  5.9-6.5
      QD1   LEU   65 - HA    GLU  113  far    0    58   0   -  6.5-7.6
      QD2   LEU   89 - HA    ARG   66  far    0    93   0   -  8.9-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2432 from c13no.peaks (7.39, 1.59, 30.54 ppm; 5.06 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   67 + QG    ARG   66  OK   100   100 100 100  1.9-2.4   4.2=100
      QE    PHE   47 - QG    ARG   66  far    0    87   0   -  6.3-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2433 from c13no.peaks (6.85, 3.04, 43.48 ppm; 5.49 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2434 from c13no.peaks (7.40, 3.04, 43.48 ppm; 5.47 A):
    1 out of 3 assignments used, quality = 0.98:
      H     GLU   67 + HD3   ARG   66  OK    98    98 100 100  3.5-5.1   953/2.5=93, 952/3.3=89, 949/1.8=89, 209/2439=76...(12)
      QE    PHE   47 - HD3   ARG   66  far    0    63   0   -  8.2-9.3
      HH2   TRP   72 - HD2   ARG   78  far    0    71   0   -  9.8-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2435 from c13no.peaks (6.85, 3.09, 43.48 ppm; 5.50 A):
    0 out of 1 assignment used, quality = 0.00:
      HE22  GLN   64 + HD2   ARG   66  far    0    89   0   -  9.9-12.2
    Violated in 20 structures by 5.19 A.
 
    Peak 2436 from c13no.peaks (7.39, 3.09, 43.48 ppm; 5.47 A):
    1 out of 4 assignments used, quality = 1.00:
      H     GLU   67 + HD2   ARG   66  OK   100   100 100 100  2.6-4.9   953/2.5=95, 952/3.3=91, 949=89, 2434/1.8=81...(11)
      QE    PHE   47 - HD2   ARG   66  far    0    76   0   -  8.5-9.6
      HZ2   TRP   72 - HD2   ARG   78  far    0    37   0   -  9.3-10.4
      HH2   TRP   72 - HD2   ARG   78  far    0    66   0   -  9.8-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2437 from c13no.peaks (7.39, 1.86, 30.54 ppm; 3.95 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLU   67 + QB    ARG   66  OK   100   100 100 100  3.3-3.6   952=98, 209/941=69, 953/2.1=67, 949/3.3=39...(19)
      QE    PHE   47 - QB    ARG   66  far    0    76   0   -  5.6-6.3
      HH2   TRP   72 - QB    ARG   66  far    0    99   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2438 from c13no.peaks (7.39, 3.80, 60.81 ppm; 4.44 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLU   67 + HA    ARG   66  OK   100   100 100 100  3.5-3.5   3.6=100
      QE    PHE   47 - HA    ARG   66  far    6    76   8   -  4.4-5.5
      HH2   TRP   72 - HA    ARG   66  far    0    99   0   -  8.9-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2439 from c13no.peaks (8.68, 3.04, 43.48 ppm; 4.75 A):
    1 out of 3 assignments used, quality = 0.90:
      H     ARG   66 + HD3   ARG   66  OK    90   100  90 100  3.9-5.0   942/2.5=90, 941/3.3=89, 940/1.8=77, 213/2421=51...(9)
      H     GLU   81 - HD3   ARG   66  far    0    65   0   -  6.3-9.3
      H     GLU   81 - HD2   ARG   78  far    0    39   0   -  9.0-9.7
    Violated in 4 structures by 0.03 A.
 
    Peak 2440 from c13no.peaks (8.99, 3.04, 43.48 ppm; 4.90 A):
    0 out of 1 assignment used, quality = 0.00:
      H     VAL   88 + HD3   ARG   66  far    0    57   0   -  8.2-9.8
    Violated in 20 structures by 4.06 A.
 
    Peak 2441 from c13no.peaks (8.69, 3.09, 43.48 ppm; 4.96 A):
    1 out of 3 assignments used, quality = 0.97:
      H     ARG   66 + HD2   ARG   66  OK    97    97 100 100  4.1-4.8   942/2.5=91, 941/3.3=90, 940=85, 2439/1.8=84...(10)
      H     GLU   81 - HD2   ARG   66  far    0    78   0   -  5.9-9.6
      H     GLU   81 - HD2   ARG   78  far    0    46   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2442 from c13no.peaks (9.00, 3.09, 43.48 ppm; 5.24 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2443 from c13no.peaks (8.69, 1.59, 30.54 ppm; 4.35 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ARG   66 + QG    ARG   66  OK    97    97 100 100  2.0-2.6   4.3=100
      H     GLU   81 - QG    ARG   66  far    0    78   0   -  7.1-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2444 from c13no.peaks (9.00, 1.59, 30.54 ppm; 5.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2445 from c13no.peaks (8.69, 3.80, 60.81 ppm; 3.77 A):
    1 out of 3 assignments used, quality = 0.97:
      H     ARG   66 + HA    ARG   66  OK    97    97 100 100  2.7-2.9   3.0=100
      H     GLU   81 - HA    ARG   66  far    0    78   0   -  7.4-8.5
      H     ARG   66 - HA    GLU  113  far    0    53   0   -  8.5-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2446 from c13no.peaks (8.52, 3.80, 60.81 ppm; 4.09 A):
    1 out of 4 assignments used, quality = 0.48:
      H     ALA  116 + HA    GLU  113  OK    48    48 100 100  3.5-3.7   2.9/1623=73, 975=65, 634/2.9=42, 565/567=40...(15)
      H     LEU   68 - HA    ARG   66  far    0    99   0   -  4.3-4.5
      H     LEU   89 - HA    ARG   66  far    0    95   0   -  6.8-7.9
      H     LEU   89 - HA    GLU  113  far    0    50   0   -  8.3-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2447 from c13no.peaks (8.69, 1.86, 30.54 ppm; 3.55 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ARG   66 + QB    ARG   66  OK    97    97 100 100  2.3-2.5   3.3=100
      H     GLU   81 - QB    ARG   66  far    0    78   0   -  5.6-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2448 from c13no.peaks (8.99, 1.86, 30.54 ppm; 4.88 A):
    0 out of 1 assignment used, quality = 0.00:
      H     VAL   88 + QB    ARG   66  far    0    57   0   -  5.4-6.7
    Violated in 20 structures by 1.04 A.
 
    Peak 2449 from c13no.peaks (2.38, 2.25, 35.40 ppm; 2.42 A):
    1 out of 1 assignment used, quality = 1.00:
      HG2   GLU   67 + HG3   GLU   67  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2450 from c13no.peaks (2.12, 2.25, 35.40 ppm; 2.87 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    GLU   67 + HG3   GLU   67  OK   100   100 100 100  2.2-2.3   2.5=100
      QB    GLN   71 - HG3   GLU   67  far    0    85   0   -  4.3-6.0
      HB3   GLN   64 - HG3   GLU   67  far    0    85   0   -  5.5-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2451 from c13no.peaks (0.97, 2.25, 35.40 ppm; 5.04 A):
    1 out of 2 assignments used, quality = 0.99:
      QD2   LEU   68 + HG3   GLU   67  OK    99    99 100 100  3.2-4.1   2457/1.8=82, 281/268=61, 282/270=59, ~2458=54...(11)
      HG    LEU   65 - HG3   GLU   67  far    0   100   0   -  8.2-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2452 from c13no.peaks (2.71, 2.25, 35.40 ppm; 4.82 A increased from 4.54 A):
    1 out of 3 assignments used, quality = 0.99:
      HG2   GLN   71 + HG3   GLU   67  OK    99    99 100  99  3.7-4.6   3.5/270=76, 3.5/268=73, ~2473=49, 2507/2451=40...(7)
      HG2   GLN   64 - HG3   GLU   67  far    0    93   0   -  6.6-7.4
      HA    ARG   44 - HG3   GLU   67  far    0    81   0   -  9.5-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2453 from c13no.peaks (4.12, 2.25, 35.40 ppm; 4.96 A increased from 4.41 A):
    1 out of 3 assignments used, quality = 0.98:
      HA    GLN   64 + HG3   GLU   67  OK    98   100 100  98  4.1-4.8   2454/1.8=91, 214/2468=64, 2466/2.5=34, 8.1/2459=21
      HA    ALA   63 - HG3   GLU   67  far    0    87   0   -  6.9-7.8
      HA    ARG   74 - HG3   GLU   67  far    0    95   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2454 from c13no.peaks (4.12, 2.37, 35.40 ppm; 4.36 A):
    1 out of 3 assignments used, quality = 0.94:
      HA    GLN   64 + HG2   GLU   67  OK    94   100 100  95  2.6-3.3   2453/1.8=62, 214/950=58, 3.6/2478=43, 2466/2.5=31
      HA    ALA   63 - HG2   GLU   67  far    0    76   0   -  5.8-6.7
      HA    PHE   50 - HG2   GLU   67  far    0    89   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2455 from c13no.peaks (2.71, 2.37, 35.40 ppm; 4.25 A):
    0 out of 3 assignments used, quality = 0.00:
      HG2   GLN   71 + HG2   GLU   67  far    0    99   0   -  4.9-5.4
      HG2   GLN   64 + HG2   GLU   67  far    0    93   0   -  5.4-6.0
      HA    ARG   44 + HG2   GLU   67  far    0    81   0   -  9.1-10.1
    Violated in 20 structures by 0.62 A.
 
    Peak 2456 from c13no.peaks (1.57, 2.37, 35.40 ppm; 4.92 A increased from 4.63 A):
    1 out of 3 assignments used, quality = 0.89:
      QG    ARG   66 + HG2   GLU   67  OK    89    89 100 100  4.4-4.8   2462/2.5=93, 953/950=71, 2459/1.8=66, 6.6/2478=31...(12)
      QB    ALA   63 - HG2   GLU   67  far    0    71   0   -  5.4-6.1
      QG    ARG   74 - HG2   GLU   67  far    0    96   0   -  9.4-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2457 from c13no.peaks (0.97, 2.37, 35.40 ppm; 4.95 A):
    1 out of 2 assignments used, quality = 0.99:
      QD2   LEU   68 + HG2   GLU   67  OK    99    99 100 100  3.2-4.0   2451/1.8=78, 2.1/2458=68, 2534/2477=57, 282/2473=55...(10)
      HG    LEU   65 - HG2   GLU   67  far    0   100   0   -  6.5-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2458 from c13no.peaks (1.06, 2.37, 35.40 ppm; 5.37 A):
    1 out of 1 assignment used, quality = 0.93:
      QD1   LEU   68 + HG2   GLU   67  OK    93    93 100 100  2.8-4.3   2.1/2457=86, ~2451=65, 971/5.2=62, 7.0/950=41...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2459 from c13no.peaks (1.57, 2.25, 35.40 ppm; 5.50 A increased from 5.00 A):
    1 out of 3 assignments used, quality = 0.89:
      QG    ARG   66 + HG3   GLU   67  OK    89    89 100 100  5.2-5.5   2462/2.5=99, 2456/1.8=93, 953/2468=74, 6.0/191=57...(9)
      QB    ALA   63 - HG3   GLU   67  far    0    71   0   -  6.1-7.0
      QG    ARG   74 - HG3   GLU   67  far    0    96   0   -  8.6-10.2
    Violated in 5 structures by 0.01 A.
 
    Peak 2460 from c13no.peaks (2.38, 2.12, 29.25 ppm; 2.59 A):
    2 out of 6 assignments used, quality = 1.00:
      HG2   GLU   67 + QB    GLU   67  OK   100   100 100 100  2.3-2.4   2.5=100
      HG3   GLU   60 + HB2   GLU   60  OK    66    76  98  90  2.2-2.5   3.0=64, 1765/2465=19, 2226/3.0=18, ~2227=15...(11)
      HG2   GLU   67 - HB3   GLN   64  far    0    68   0   -  4.1-4.6
      HG3   GLU   60 - HB3   GLN   64  far    0    48   0   -  6.0-6.8
      HB2   PRO   58 - HB2   GLU   60  far    0    82   0   -  6.7-7.5
      HG3   GLU   60 - QB    GLU   67  far    0    81   0   -  8.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2461 from c13no.peaks (2.26, 2.12, 29.25 ppm; 2.68 A):
    2 out of 8 assignments used, quality = 1.00:
      HG3   GLU   67 + QB    GLU   67  OK   100   100 100 100  2.2-2.3   2.5=100
      HB2   GLN   64 + HB3   GLN   64  OK    41    41 100 100  1.8-1.8   1.8=100
      HG3   GLU   67 - HB3   GLN   64  far    0    67   0   -  5.5-6.1
      HB2   GLN   64 - QB    GLU   67  far    0    71   0   -  5.5-6.1
      HG2   PRO   58 - HB2   GLU   60  far    0    97   0   -  6.6-8.0
      HB2   GLN   64 - HB2   GLU   60  far    0    66   0   -  6.7-8.0
      QG    GLU   54 - HB2   GLU   60  far    0    96   0   -  8.1-9.2
      HB    VAL  119 - HB2   GLU   60  far    0    91   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2462 from c13no.peaks (1.57, 2.12, 29.25 ppm; 3.63 A):
    1 out of 8 assignments used, quality = 0.86:
      QG    ARG   66 + QB    GLU   67  OK    86    89 100  97  2.7-3.0   953/951=48, 2456/2.5=38, 2459/2.5=28, ~952=25...(14)
      QB    ALA   63 - QB    GLU   67  far    0    71   0   -  4.1-4.6
      QB    ALA   63 - HB2   GLU   60  far    0    66   0   -  4.8-5.4
      QB    ALA   63 - HB3   GLN   64  far    0    41   0   -  5.0-5.1
      QG    ARG   66 - HB3   GLN   64  far    0    54   0   -  5.8-6.3
      QG    ARG   74 - QB    GLU   67  far    0    96   0   -  7.9-9.5
      QG    ARG   66 - HB2   GLU   60  far    0    84   0   -  8.9-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2463 from c13no.peaks (0.97, 2.12, 29.25 ppm; 4.06 A):
    0 out of 8 assignments used, quality = 0.00:
      HG    LEU   65 + HB3   GLN   64  far    0    68   0   -  4.6-7.1
      QD2   LEU   68 + QB    GLU   67  far    0    99   0   -  4.7-5.3
      QD2   LEU   68 + HB3   GLN   64  far    0    66   0   -  4.8-5.4
      HG    LEU   65 + QB    GLU   67  far    0   100   0   -  6.8-8.5
      QG2   VAL  119 + HB2   GLU   60  far    0    95   0   -  7.5-8.4
      HG    LEU   65 + HB2   GLU   60  far    0    98   0   -  8.1-10.4
      QD2   LEU   87 + QB    GLU   67  far    0    71   0   -  9.9-11.1
    Violated in 19 structures by 0.14 A.
 
    Peak 2464 from c13no.peaks (1.05, 2.12, 29.25 ppm; 4.31 A):
    1 out of 4 assignments used, quality = 0.62:
      QD1   LEU   68 + HB3   GLN   64  OK    62    67 100  93  2.9-3.6   2510/276=45, 2497/3.0=42, 2499/3.0=42, 2513/4.0=36...(6)
      QD1   LEU   68 - QB    GLU   67  far    0   100   0   -  4.6-5.6
      QD1   LEU   68 - HB2   GLU   60  far    0    97   0   -  8.9-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2465 from c13no.peaks (1.30, 2.12, 29.25 ppm; 3.88 A):
    1 out of 9 assignments used, quality = 0.90:
      QG2   THR   56 + HB2   GLU   60  OK    90    90 100 100  1.9-3.2   1767/1.8=79, 2229/3.0=58, 2231/3.0=58, 894/891=53...(14)
      QG2   THR   56 - HB3   GLN   64  far    0    60   0   -  6.0-6.8
      HB3   LEU   62 - QB    GLU   67  far    0    87   0   -  7.5-8.1
      HB3   LEU   62 - HB2   GLU   60  far    0    82   0   -  7.9-8.4
      HG3   GLN   91 - HB3   GLN   64  far    0    54   0   -  8.3-10.6
      HB3   LEU   62 - HB3   GLN   64  far    0    53   0   -  8.4-8.7
      QG2   THR   56 - QB    GLU   67  far    0    95   0   -  8.9-9.7
      HG3   GLN   91 - QB    GLU   67  far    0    89   0   -  9.6-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2466 from c13no.peaks (4.12, 2.12, 29.25 ppm; 3.17 A):
    2 out of 10 assignments used, quality = 0.79:
      HA    GLN   64 + HB3   GLN   64  OK    67    67 100 100  2.3-2.3   3.0=100
      HA    GLN   64 + QB    GLU   67  OK    36   100  50  71  2.8-3.6   214/951=37, 2454/2.5=35, 2453/2.5=25, 8.1/2462=7
      HA    ALA   63 - QB    GLU   67  far    0    76   0   -  4.1-4.8
      HA    ALA   63 - HB3   GLN   64  far    0    44   0   -  6.5-6.6
      HA    TYR   52 - HB2   GLU   60  far    0    71   0   -  6.8-8.5
      HA    PHE   50 - HB3   GLN   64  far    0    54   0   -  6.9-7.8
      HA    ALA   63 - HB2   GLU   60  far    0    71   0   -  7.8-8.3
      HA    GLN   64 - HB2   GLU   60  far    0    97   0   -  8.1-8.5
      HA    TYR   52 - HB3   GLN   64  far    0    44   0   -  8.4-9.0
      HA    ARG   74 - QB    GLU   67  far    0    99   0   -  8.7-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2467 from c13no.peaks (6.73, 2.25, 35.40 ppm; 4.70 A):
    1 out of 1 assignment used, quality = 1.00:
      HE22  GLN   71 + HG3   GLU   67  OK   100   100 100 100  2.7-4.1   268=100, 1.7/270=96, ~2473=69, 2471/1.8=65...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 2468 from c13no.peaks (7.39, 2.25, 35.40 ppm; 4.36 A increased from 4.10 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   67 + HG3   GLU   67  OK   100   100 100 100  4.0-4.3   951/2.5=94, 950/1.8=92, 3.0/191=76, 4.8=74...(13)
      QE    PHE   47 - HG3   GLU   67  far    0    81   0   -  8.4-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2469 from c13no.peaks (7.86, 2.25, 35.40 ppm; 4.27 A):
    1 out of 2 assignments used, quality = 1.00:
      HE21  GLN   71 + HG3   GLU   67  OK   100   100 100 100  2.2-3.1   270=100, 1.7/268=84, 2473/1.8=81, 3.5/2452=48...(7)
      H     ALA   43 - HG3   GLU   67  far    0   100   0   -  9.3-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2471 from c13no.peaks (6.73, 2.37, 35.40 ppm; 5.29 A increased from 4.46 A):
    1 out of 1 assignment used, quality = 1.00:
      HE22  GLN   71 + HG2   GLU   67  OK   100   100 100 100  3.9-5.0   268/1.8=99, 1.7/2473=99, ~270=85, ~2469=79...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 2472 from c13no.peaks (7.39, 2.37, 35.40 ppm; 4.04 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU   67 + HG2   GLU   67  OK    99    99 100 100  2.8-3.3   950=99, 951/2.5=87, 2468/1.8=66, ~191=43...(14)
      QE    PHE   47 - HG2   GLU   67  far    0    65   0   -  7.1-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2473 from c13no.peaks (7.87, 2.37, 35.40 ppm; 4.06 A):
    1 out of 2 assignments used, quality = 0.99:
      HE21  GLN   71 + HG2   GLU   67  OK    99   100 100  99  3.6-4.0   270/1.8=82, ~268=54, 1.7/2471=45, ~2467=44...(7)
      H     ALA   43 - HG2   GLU   67  far    0    99   0   -  9.9-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2475 from c13no.peaks (7.39, 4.21, 59.21 ppm; 3.65 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLU   67 + HA    GLU   67  OK    99    99 100 100  2.8-2.9   3.0=100
      QE    PHE   47 - HA    GLU   67  far    0    65   0   -  7.6-8.5
      H     GLU   67 - HA    GLU   60  far    0    88   0   -  8.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2476 from c13no.peaks (8.52, 2.25, 35.40 ppm; 5.20 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   68 + HG3   GLU   67  OK    99    99 100 100  3.1-3.7   5.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2477 from c13no.peaks (8.53, 2.37, 35.40 ppm; 4.80 A):
    1 out of 1 assignment used, quality = 0.83:
      H     LEU   68 + HG2   GLU   67  OK    83    83 100 100  2.1-2.6   5.2=81, 217/950=78, 973/2.5=77, 2534/2457=52...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2478 from c13no.peaks (8.64, 2.37, 35.40 ppm; 5.25 A):
    1 out of 1 assignment used, quality = 0.76:
      H     LEU   65 + HG2   GLU   67  OK    76    90  93  91  4.9-5.5   3.6/2454=76, 6.6/2456=37, 7.4/950=34, 8.7/190=13
    Violated in 2 structures by 0.03 A.
 
    Peak 2479 from c13no.peaks (7.38, 2.12, 29.25 ppm; 3.17 A):
    1 out of 4 assignments used, quality = 1.00:
      H     GLU   67 + QB    GLU   67  OK   100   100 100 100  2.1-2.3   951=100, 950/2.5=47, 2468/2.5=34, 217/4.0=33...(18)
      H     GLU   67 - HB3   GLN   64  far    0    67   0   -  5.3-5.7
      QE    PHE   47 - HB3   GLN   64  far    0    57   0   -  7.4-8.3
      QE    PHE   47 - QB    GLU   67  far    0    92   0   -  7.5-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2481 from c13no.peaks (8.32, 4.21, 59.21 ppm; 4.62 A increased from 4.35 A):
    1 out of 2 assignments used, quality = 0.88:
      H     GLN   71 + HA    GLU   67  OK    88    89 100  99  4.0-4.4   220=79, 222/196=54, 5.0/2596=38, 274/2593=37...(8)
      H     ARG   74 - HA    GLU   67  far    0    71   0   -  7.6-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2482 from c13no.peaks (8.33, 2.12, 29.25 ppm; 4.28 A):
    0 out of 3 assignments used, quality = 0.00:
      H     GLN   71 + QB    GLU   67  far    0    78   0   -  5.1-5.6
      H     ARG   74 + QB    GLU   67  far    0    83   0   -  8.8-9.3
      H     GLN   71 + HB3   GLN   64  far    0    46   0   -  9.5-10.3
    Violated in 20 structures by 1.08 A.
 
    Peak 2483 from c13no.peaks (3.25, 0.97, 22.78 ppm; 3.63 A increased from 3.41 A):
    1 out of 5 assignments used, quality = 0.68:
      HB2   PHE   47 + QD2   LEU   68  OK    68    68 100  99  2.9-3.5   3.0/2487=44, 1.8/2508=44, 2.4/2530=39, ~306=33...(15)
      QD    ARG   46 - QD2   LEU   68  far    5    99   5   -  2.7-5.4
      HB2   PHE   50 - QD2   LEU   68  far    0    96   0   -  4.6-5.6
      HD2   ARG   70 - QD2   LEU   68  far    0    85   0   -  6.2-7.5
      HA    LEU   73 - QD2   LEU   68  far    0    96   0   -  8.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2484 from c13no.peaks (3.26, 1.05, 26.34 ppm; 3.94 A):
    2 out of 3 assignments used, quality = 1.00:
      HB2   PHE   50 + QD1   LEU   68  OK    98   100 100  98  2.4-3.5   2.5/2510=71, 2013=63, 1.8/2009=55, 772/778=40...(6)
      HB2   PHE   47 + QD1   LEU   68  OK    97    97 100 100  2.0-3.8   2483/2.1=62, 3.0/2486=61, 2.4/306=51, 1.8/2496=48...(12)
      QD    ARG   46 - QD1   LEU   68  far    0    98   0   -  4.4-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2485 from c13no.peaks (3.93, 1.05, 26.34 ppm; 3.77 A):
    1 out of 3 assignments used, quality = 0.96:
      HA    LEU   65 + QD1   LEU   68  OK    96    97 100  98  2.1-3.5   2378=94, 102/306=30, 6.0/2464=21, 6.3/2513=17...(8)
      QD    PRO   38 - QD1   LEU   68  far    0   100   0   -  8.9-12.7
      HA    LEU   89 - QD1   LEU   68  far    0    99   0   - 10.0-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2486 from c13no.peaks (4.42, 1.05, 26.34 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    PHE   47 + QD1   LEU   68  OK    99    99 100 100  2.0-2.6   1975=86, 2487/2.1=53, 3.0/2512=43, 3.0/2496=37...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2487 from c13no.peaks (4.43, 0.97, 22.78 ppm; 4.27 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PHE   47 + QD2   LEU   68  OK   100   100 100 100  3.1-3.8   1975/2.1=79, 3.0/2483=73, 3.0/2533=54, 3.0/2508=53...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2488 from c13no.peaks (2.71, 4.07, 58.02 ppm; 4.54 A):
    1 out of 4 assignments used, quality = 0.87:
      HG2   GLN   71 + HA    LEU   68  OK    87    99 100  88  2.0-4.0   271/2516=61, 2507/809=50, 2452/6.8=26, 2.5/193=16
      HA    ARG   44 - HA    LEU   68  far    0    85   0   -  6.3-6.9
      QB    PRO   40 - HA    LEU   68  far    0    78   0   -  7.7-9.7
      HG2   GLN   64 - HA    LEU   68  far    0    96   0   -  8.3-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2489 from c13no.peaks (0.97, 1.51, 43.23 ppm; 3.71 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   68 + HB3   LEU   68  OK   100   100 100 100  2.3-3.2   3.1=100
      HG    LEU   65 - HB3   LEU   68  far    0    99   0   -  4.6-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2490 from c13no.peaks (1.05, 1.51, 43.23 ppm; 3.87 A):
    1 out of 2 assignments used, quality = 1.00:
      QD1   LEU   68 + HB3   LEU   68  OK   100   100 100 100  2.0-2.8   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2491 from c13no.peaks (2.17, 1.51, 43.23 ppm; 3.71 A):
    1 out of 1 assignment used, quality = 0.98:
      HB2   LEU   68 + HB3   LEU   68  OK    98    98 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2492 from c13no.peaks (2.04, 1.51, 43.23 ppm; 4.07 A):
    1 out of 2 assignments used, quality = 1.00:
      HG    LEU   68 + HB3   LEU   68  OK   100   100 100 100  2.2-3.0   3.0=100
      QG    PRO   38 - HB3   LEU   68  far    0    99   0   -  9.0-14.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2493 from c13no.peaks (1.52, 2.16, 43.23 ppm; 3.71 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   68 + HB2   LEU   68  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   ARG   44 - HB2   LEU   68  far    0    92   0   -  7.3-10.3
      HG3   ARG   70 - HB2   LEU   68  far    0    97   0   -  7.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2494 from c13no.peaks (1.52, 4.07, 58.02 ppm; 4.08 A):
    1 out of 6 assignments used, quality = 0.99:
      HB3   LEU   68 + HA    LEU   68  OK    99    99 100 100  2.7-3.0   3.0=100
      HG3   ARG   70 - HA    LEU   68  far    0    99   0   -  5.6-8.3
      QB    ALA   63 - HA    LEU   68  far    0    65   0   -  8.2-8.8
      HB2   ARG   44 - HA    LEU   68  far    0    83   0   -  8.6-9.5
      HB3   LYS   80 - HA    LEU   68  far    0    73   0   -  9.3-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2496 from c13no.peaks (3.05, 1.05, 26.34 ppm; 4.99 A):
    1 out of 4 assignments used, quality = 0.80:
      HB3   PHE   47 + QD1   LEU   68  OK    80    89  90 100  3.3-4.9   3.0/2486=86, ~2483=77, 2508/2.1=77, 2.4/306=71...(12)
      HB2   CYS   49 - QD1   LEU   68  far    0    60   0   -  6.0-7.1
      HB3   PHE   92 - QD1   LEU   68  far    0   100   0   -  7.6-8.9
      HD3   ARG   66 - QD1   LEU   68  far    0    93   0   -  7.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2497 from c13no.peaks (2.72, 1.05, 26.34 ppm; 5.50 A increased from 4.76 A):
    1 out of 4 assignments used, quality = 0.44:
      HG2   GLN   64 + QD1   LEU   68  OK    44    99  45 100  5.3-5.9   3.0/2464=88, 1.8/2499=82, 907/2513=64, 6.8/2485=45
      HG2   GLN   71 - QD1   LEU   68  far   17    95  18   -  5.0-6.9
      HA    ARG   44 - QD1   LEU   68  far    0    93   0   -  5.7-6.9
      QB    PRO   40 - QD1   LEU   68  far    0    89   0   -  9.0-10.2
    Violated in 16 structures by 0.17 A.
 
    Peak 2498 from c13no.peaks (2.61, 1.05, 26.34 ppm; 4.82 A):
    1 out of 3 assignments used, quality = 0.90:
      HB3   PHE   50 + QD1   LEU   68  OK    90   100  90 100  3.4-4.6   2009=100, 2.5/2510=92, 1.8/2013=84, 775/778=59
      HB2   CYS   69 - QD1   LEU   68  far    0    95   0   -  5.8-7.2
      HD3   ARG   44 - QD1   LEU   68  far    0    99   0   -  8.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2499 from c13no.peaks (2.50, 1.05, 26.34 ppm; 5.50 A increased from 4.78 A):
    1 out of 3 assignments used, quality = 0.72:
      HG3   GLN   64 + QD1   LEU   68  OK    72    90  80  99  5.1-5.6   3.0/2464=88, 1.8/2497=82, 2351/2513=56, 6.8/2485=45
      HB3   CYS   69 - QD1   LEU   68  far   12    97  13   -  5.5-7.2
      QB    GLU   90 - QD1   LEU   68  far    0    65   0   -  9.4-10.3
    Violated in 7 structures by 0.04 A.
 
    Peak 2500 from c13no.peaks (2.17, 1.05, 26.34 ppm; 3.47 A):
    1 out of 2 assignments used, quality = 0.98:
      HB2   LEU   68 + QD1   LEU   68  OK    98    98 100 100  1.9-2.6   3.1=100
      QG    GLU   53 - QD1   LEU   68  far    0    85   0   -  7.2-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2501 from c13no.peaks (2.04, 1.05, 26.34 ppm; 3.30 A):
    1 out of 2 assignments used, quality = 1.00:
      HG    LEU   68 + QD1   LEU   68  OK   100   100 100 100  2.1-2.1   2.1=100
      QG    PRO   38 - QD1   LEU   68  far    0    99   0   -  7.7-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2502 from c13no.peaks (1.52, 1.05, 26.34 ppm; 3.62 A):
    1 out of 5 assignments used, quality = 0.99:
      HB3   LEU   68 + QD1   LEU   68  OK    99    99 100 100  2.0-2.8   3.1=100
      QB    ALA   63 - QD1   LEU   68  far    0    65   0   -  6.4-7.0
      HB2   ARG   44 - QD1   LEU   68  far    0    83   0   -  7.8-8.8
      HG3   ARG   70 - QD1   LEU   68  far    0    99   0   -  8.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2503 from c13no.peaks (1.52, 0.97, 22.78 ppm; 3.41 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   68 + QD2   LEU   68  OK   100   100 100 100  2.3-3.2   3.1=100
      HG3   ARG   70 - QD2   LEU   68  far    0    97   0   -  6.8-9.3
      HB2   ARG   44 - QD2   LEU   68  far    0    92   0   -  6.9-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2504 from c13no.peaks (1.59, 0.97, 22.78 ppm; 3.60 A increased from 3.39 A):
    1 out of 7 assignments used, quality = 0.80:
      QB    ALA   43 + QD2   LEU   68  OK    80    87 100  93  2.2-3.5   1633=68, 2.1/1582=51, 1627/2505=36, 1653/2532=17...(6)
      HG    LEU   45 - QD2   LEU   68  far    0    73   0   -  6.2-9.1
      QG    ARG   66 - QD2   LEU   68  far    0   100   0   -  6.5-7.2
      QG    ARG   48 - QD2   LEU   68  far    0    65   0   -  6.8-8.6
      QG    ARG   74 - QD2   LEU   68  far    0   100   0   -  7.5-8.8
      QB    ALA   95 - QD2   LEU   68  far    0    81   0   -  8.3-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2505 from c13no.peaks (1.95, 0.97, 22.78 ppm; 3.30 A increased from 2.93 A):
    1 out of 3 assignments used, quality = 0.57:
      QB    ARG   46 + QD2   LEU   68  OK    57    71  95  85  2.6-3.3   1627/1633=30, 4.0/2533=25, 1584/1582=24, 4.8/2487=23...(8)
      QB    ARG   70 - QD2   LEU   68  far    0    60   0   -  5.6-6.7
      HB2   LEU   65 - QD2   LEU   68  far    0   100   0   -  7.0-7.6
    Violated in 2 structures by 0.04 A.
 
    Peak 2506 from c13no.peaks (2.17, 0.97, 22.78 ppm; 3.32 A):
    1 out of 5 assignments used, quality = 1.00:
      HB2   LEU   68 + QD2   LEU   68  OK   100   100 100 100  2.2-3.2   3.1=100
      QB    GLN   71 - QD2   LEU   68  far    7    68  10   -  3.1-4.8
      HB3   GLN   64 - QD2   LEU   68  far    0    68   0   -  4.8-5.4
      HG3   GLU   41 - QD2   LEU   68  far    0    63   0   -  9.0-11.3
      QG    GLU   53 - QD2   LEU   68  far    0    93   0   -  9.2-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2507 from c13no.peaks (2.70, 0.97, 22.78 ppm; 5.17 A increased from 4.35 A):
    1 out of 3 assignments used, quality = 0.99:
      HG2   GLN   71 + QD2   LEU   68  OK    99   100 100  99  2.9-5.0   2488/809=75, 3.5/281=70, 3.5/282=65, 2452/2451=49
      HA    ARG   44 - QD2   LEU   68  far    9    60  15   -  4.9-6.0
      HG2   GLN   64 - QD2   LEU   68  far    0    78   0   -  6.9-7.6
    Violated in 1 structures by 0.00 A.
 
    Peak 2508 from c13no.peaks (3.06, 0.97, 22.78 ppm; 4.74 A increased from 4.47 A):
    1 out of 5 assignments used, quality = 0.65:
      HB3   PHE   47 + QD2   LEU   68  OK    65    65 100 100  3.4-4.5   1.8/2483=98, 3.0/2487=73, 2.4/2530=70, 2496/2.1=66...(16)
      HB2   CYS   49 - QD2   LEU   68  far    0    85   0   -  6.6-8.1
      HD2   ARG   66 - QD2   LEU   68  far    0    65   0   -  7.5-9.9
      HD3   ARG   66 - QD2   LEU   68  far    0    73   0   -  8.2-10.0
      HB3   PHE   92 - QD2   LEU   68  far    0    97   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2509 from c13no.peaks (6.91, 1.05, 26.34 ppm; 4.99 A increased from 4.43 A):
    1 out of 2 assignments used, quality = 0.72:
      H     PHE   50 + QD1   LEU   68  OK    72    83  88  99  3.9-5.0   778=82, 4.6/2510=66, 4.0/2013=61, 4.0/2009=60
      QD    PHE   92 - QD1   LEU   68  far    0   100   0   -  7.5-8.4
    Violated in 1 structures by 0.00 A.
 
    Peak 2510 from c13no.peaks (7.02, 1.05, 26.34 ppm; 3.66 A):
    1 out of 2 assignments used, quality = 0.99:
      QD    PHE   50 + QD1   LEU   68  OK    99   100 100  99  2.3-3.6   279=93, 2.2/269=44, 2.5/2013=44, 2.5/2009=42...(6)
      HD2   HIS   51 - QD1   LEU   68  far    0    87   0   -  9.6-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2511 from c13no.peaks (7.27, 1.05, 26.34 ppm; 3.87 A):
    2 out of 2 assignments used, quality = 0.74:
      QD    PHE   47 + QD1   LEU   68  OK    64    65  98 100  2.5-3.8   3.7/2486=50, 306=47, 2.4/2496=43, ~2483=41...(14)
      QE    PHE   50 + QD1   LEU   68  OK    28    83  35  96  3.4-4.7   2.2/2510=74, 269=47, 4.4/2013=34, 4.4/2009=33...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 2512 from c13no.peaks (7.66, 1.05, 26.34 ppm; 4.66 A):
    1 out of 2 assignments used, quality = 0.80:
      H     PHE   47 + QD1   LEU   68  OK    80    99  83  99  3.9-4.6   3.0/2486=80, 675/2496=51, ~2487=46, 131/306=45...(6)
      HE21  GLN   64 - QD1   LEU   68  far    0    99   0   -  6.6-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2513 from c13no.peaks (8.12, 1.05, 26.34 ppm; 5.50 A increased from 5.34 A):
    1 out of 4 assignments used, quality = 0.62:
      H     GLN   64 + QD1   LEU   68  OK    62    97  65  99  5.2-5.8   4.0/2464=76, 907/2497=64, 2351/2499=56, 6.3/2485=52
      H     LEU   45 - QD1   LEU   68  far    0    99   0   -  7.2-8.1
      H     LEU   62 - QD1   LEU   68  far    0   100   0   -  7.6-8.4
      H     LEU   93 - QD1   LEU   68  far    0    92   0   -  9.9-11.1
    Violated in 11 structures by 0.11 A.
 
    Peak 2514 from c13no.peaks (8.53, 1.05, 26.34 ppm; 4.28 A):
    1 out of 2 assignments used, quality = 0.93:
      H     LEU   68 + QD1   LEU   68  OK    93    93 100 100  3.1-3.9   971=93, 2534/2.1=76, 3.0/195=69, 972/3.1=68...(15)
      H     LEU   89 - QD1   LEU   68  far    0    85   0   -  9.1-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2515 from c13no.peaks (8.60, 1.05, 26.34 ppm; 4.81 A increased from 4.05 A):
    1 out of 2 assignments used, quality = 0.96:
      H     CYS   69 + QD1   LEU   68  OK    96    98  98 100  4.2-4.8   5.2=80, 987/3.1=80, 959/971=74, 3.6/195=73...(10)
      H     GLU   60 - QD1   LEU   68  far    0    85   0   - 10.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2516 from c13no.peaks (8.31, 4.07, 58.02 ppm; 4.46 A):
    1 out of 1 assignment used, quality = 0.92:
      H     GLN   71 + HA    LEU   68  OK    92   100 100  92  3.5-4.2   271/2488=57, 220/5.4=38, 278/809=34, 222/6.5=30...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 2517 from c13no.peaks (8.52, 4.07, 58.02 ppm; 4.20 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   68 + HA    LEU   68  OK    99    99 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2518 from c13no.peaks (8.59, 4.07, 58.02 ppm; 4.21 A):
    1 out of 2 assignments used, quality = 1.00:
      H     CYS   69 + HA    LEU   68  OK   100   100 100 100  3.5-3.6   3.6=100
      H     GLY   39 - HA    LEU   68  far    0    99   0   -  9.7-13.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2519 from c13no.peaks (7.24, 2.16, 43.23 ppm; 4.79 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE   47 + HB2   LEU   68  OK   100   100 100 100  2.5-3.6   301=99, 2523/1.8=82, 306/3.1=77, 2530/3.1=63...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 2520 from c13no.peaks (7.36, 2.16, 43.23 ppm; 5.50 A increased from 5.15 A):
    2 out of 4 assignments used, quality = 0.89:
      QE    PHE   47 + HB2   LEU   68  OK    85    97  88 100  4.3-5.7   2.2/301=99, 2524/1.8=88, ~2523=72, 91/4.3=64...(10)
      H     GLU   67 + HB2   LEU   68  OK    26    60  45  97  4.1-6.1   217/4.0=52, 7.0=48, 951/5.9=38, 199/4.3=37...(9)
      H     TRP   72 - HB2   LEU   68  far    0    95   0   -  5.8-7.7
      HZ2   TRP   72 - HB2   LEU   68  far    0    99   0   -  9.7-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2521 from c13no.peaks (8.52, 2.16, 43.23 ppm; 4.54 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   68 + HB2   LEU   68  OK    99    99 100 100  2.1-3.6   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2522 from c13no.peaks (8.59, 2.16, 43.23 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYS   69 + HB2   LEU   68  OK   100   100 100 100  2.6-3.8   4.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2523 from c13no.peaks (7.24, 1.51, 43.23 ppm; 4.69 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE   47 + HB3   LEU   68  OK   100   100 100 100  2.0-3.0   301/1.8=96, 306/3.1=75, 2.2/2524=65, 2530/3.1=61...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2524 from c13no.peaks (7.35, 1.51, 43.23 ppm; 5.12 A):
    1 out of 3 assignments used, quality = 0.90:
      QE    PHE   47 + HB3   LEU   68  OK    90    90 100 100  4.2-5.1   2.2/2523=84, ~301=77, ~2519=62, ~306=55...(11)
      H     TRP   72 - HB3   LEU   68  far    0    99   0   -  6.1-7.3
      HZ2   TRP   72 - HB3   LEU   68  far    0    96   0   -  9.7-11.3
    Violated in 1 structures by 0.00 A.
 
    Peak 2525 from c13no.peaks (8.53, 1.51, 43.23 ppm; 4.77 A):
    1 out of 2 assignments used, quality = 0.93:
      H     LEU   68 + HB3   LEU   68  OK    93    93 100 100  2.1-3.5   4.0=100
      H     LEU   89 - HB3   LEU   68  far    0    85   0   -  9.5-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2526 from c13no.peaks (8.59, 1.51, 43.23 ppm; 4.49 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYS   69 + HB3   LEU   68  OK   100   100 100 100  2.5-3.2   4.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2527 from c13no.peaks (7.39, 2.04, 26.98 ppm; 5.32 A):
    1 out of 3 assignments used, quality = 0.61:
      H     GLU   67 + HG    LEU   68  OK    61    99  63  98  4.4-7.0   217/2528=72, 5.8/194=54, 951/6.9=44, 199/4.9=41...(8)
      QE    PHE   47 - HG    LEU   68  far    0    83   0   -  5.7-7.2
      HH2   TRP   72 - HG    LEU   68  far    0    96   0   -  9.4-12.3
    Violated in 6 structures by 0.51 A.
 
    Peak 2528 from c13no.peaks (8.53, 2.04, 26.98 ppm; 4.78 A increased from 4.03 A):
    1 out of 2 assignments used, quality = 0.83:
      H     LEU   68 + HG    LEU   68  OK    83    83 100 100  2.5-4.7   2534/2.1=88, 2514/2.1=85, 3.0/194=83, 5.2=76...(12)
      H     LEU   68 - QG    PRO   38  far    0    85   0   -  9.5-15.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2529 from c13no.peaks (8.60, 2.04, 26.98 ppm; 4.38 A increased from 3.89 A):
    1 out of 3 assignments used, quality = 0.84:
      H     GLY   39 + QG    PRO   38  OK    84    85 100  99  1.8-4.3   4.8=78, 640/2.0=70, 646/1526=39, ~1503=35...(8)
      H     CYS   69 - HG    LEU   68  far    2    97   3   -  4.4-4.9
      H     CYS   69 - QG    PRO   38  far    0    98   0   -  9.9-15.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2530 from c13no.peaks (7.25, 0.97, 22.78 ppm; 4.83 A increased from 4.54 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE   47 + QD2   LEU   68  OK   100   100 100 100  4.3-4.7   2.4/2483=92, 306/2.1=91, 301/3.1=82, 2.4/2508=74...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 2531 from c13no.peaks (7.36, 0.97, 22.78 ppm; 4.46 A):
    0 out of 4 assignments used, quality = 0.00:
      H     TRP   72 + QD2   LEU   68  far    0    85   0   -  5.1-6.5
      H     GLU   67 + QD2   LEU   68  far    0    76   0   -  5.4-5.9
      QE    PHE   47 + QD2   LEU   68  far    0   100   0   -  6.0-6.6
      HZ2   TRP   72 + QD2   LEU   68  far    0   100   0   -  9.3-10.6
    Violated in 20 structures by 0.53 A.
 
    Peak 2532 from c13no.peaks (7.56, 0.97, 22.78 ppm; 5.30 A increased from 4.72 A):
    1 out of 1 assignment used, quality = 0.89:
      H     ARG   46 + QD2   LEU   68  OK    89    89 100 100  4.9-5.2   3.3/2505=94, 668=80, 397/2533=65, 1576/1582=62...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2533 from c13no.peaks (7.63, 0.97, 22.78 ppm; 4.73 A):
    1 out of 2 assignments used, quality = 0.90:
      H     PHE   47 + QD2   LEU   68  OK    90    90 100 100  3.8-4.3   3.0/2487=74, 4.0/2505=74, 4.0/2483=69, 4.0/2508=54...(10)
      HE21  GLN   64 - QD2   LEU   68  far    0    87   0   -  8.1-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2534 from c13no.peaks (8.53, 0.97, 22.78 ppm; 4.10 A increased from 3.86 A):
    1 out of 1 assignment used, quality = 0.85:
      H     LEU   68 + QD2   LEU   68  OK    85    85 100 100  3.5-4.0   3.0/809=82, 2514/2.1=67, 970=64, 972/3.1=58...(14)
    Violated in 2 structures by 0.00 A.
 
    Peak 2535 from c13no.peaks (8.61, 0.97, 22.78 ppm; 3.83 A):
    0 out of 3 assignments used, quality = 0.00:
      H     CYS   69 + QD2   LEU   68  far    0    83   0   -  4.1-4.9
      H     LEU   65 + QD2   LEU   68  far    0    83   0   -  6.3-6.6
      HE    ARG   44 + QD2   LEU   68  far    0    73   0   -  8.6-10.5
    Violated in 20 structures by 0.66 A.
 
    Peak 2536 from c13no.peaks (3.30, 3.12, 63.60 ppm; 4.44 A):
    2 out of 2 assignments used, quality = 0.90:
      HB2   TRP   72 + HA    CYS   69  OK    79    81 100  98  2.4-3.2   1.8/2637=65, 122/123=58, 3.9/247=57, 2638=52...(7)
      HB2   PHE   47 + HA    CYS   69  OK    53    65  98  83  2.9-4.5   ~96=40, ~200=38, ~2547=33, ~2542=30
    Violated in 0 structures by 0.00 A.
 
    Peak 2537 from c13no.peaks (7.15, 3.12, 63.60 ppm; 4.48 A):
    0 out of 1 assignment used, quality = 0.00:
      HD1   TRP   72 + HA    CYS   69  far    0    63   0   -  6.1-6.6
    Violated in 20 structures by 1.92 A.
 
    Peak 2538 from c13no.peaks (7.36, 3.12, 63.60 ppm; 4.33 A):
    1 out of 4 assignments used, quality = 0.94:
      H     TRP   72 + HA    CYS   69  OK    94    95 100  99  3.3-3.6   247=94, 3.9/2637=43, 229/2638=41, 6.0/123=32...(9)
      QE    PHE   47 - HA    CYS   69  far    0    97   0   -  4.5-5.1
      H     GLU   67 - HA    CYS   69  far    0    60   0   -  6.6-7.0
      HZ2   TRP   72 - HA    CYS   69  far    0    99   0   -  6.6-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2539 from c13no.peaks (7.98, 3.12, 63.60 ppm; 4.40 A):
    2 out of 3 assignments used, quality = 0.99:
      H     LEU   73 + HA    CYS   69  OK    94    99 100  96  3.4-4.1   315/247=61, 750/2637=44, 4.2/2638=38, 319/5.4=36...(8)
      H     ARG   70 + HA    CYS   69  OK    78    78 100 100  3.5-3.6   3.6=100
      H     GLU   41 - HA    CYS   69  far    0    81   0   -  9.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2540 from c13no.peaks (8.60, 3.12, 63.60 ppm; 4.01 A):
    1 out of 2 assignments used, quality = 0.97:
      H     CYS   69 + HA    CYS   69  OK    97    97 100 100  2.8-2.9   3.0=100
      H     LEU   65 - HA    CYS   69  far    0    57   0   -  8.3-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2541 from c13no.peaks (3.81, 2.51, 26.90 ppm; 4.92 A increased from 4.63 A):
    1 out of 5 assignments used, quality = 0.88:
      HA    ARG   66 + HB3   CYS   69  OK    88    99  98  91  3.2-5.0   2546/1.8=66, 2429/2557=65, 2431/2560=24
      HA    LYS   80 - HB3   CYS   69  far    0    90   0   -  5.8-9.7
      HA    ARG   48 - HB3   CYS   69  far    0    63   0   -  6.3-9.9
      HA    GLU   81 - HB3   CYS   69  far    0    65   0   -  6.7-10.1
      HA    LEU   62 - HB3   CYS   69  far    0    71   0   -  7.9-9.7
    Violated in 1 structures by 0.03 A.
 
    Peak 2542 from c13no.peaks (7.23, 2.51, 26.90 ppm; 5.50 A increased from 5.07 A):
    1 out of 1 assignment used, quality = 0.90:
      QD    PHE   47 + HB3   CYS   69  OK    90    92  98 100  2.8-5.5   2.2/311=92, 2547/1.8=90, 96/986=75, ~312=74...(11)
    Violated in 1 structures by 0.00 A.
 
    Peak 2544 from c13no.peaks (7.96, 2.51, 26.90 ppm; 4.55 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   70 + HB3   CYS   69  OK   100   100 100 100  2.2-4.1   4.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2545 from c13no.peaks (8.59, 2.51, 26.90 ppm; 3.94 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYS   69 + HB3   CYS   69  OK   100   100 100 100  2.4-3.4   986=99, 984/1.8=80, 198/4.3=45, 91/311=34...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2546 from c13no.peaks (3.81, 2.60, 26.90 ppm; 5.50 A increased from 4.89 A):
    1 out of 6 assignments used, quality = 0.99:
      HA    ARG   66 + HB2   CYS   69  OK    99    99 100 100  2.5-5.3   2541/1.8=93, 2429/2561=85, 2431/3002=69, 2430/2564=5
      HA    GLU   81 - HB2   CYS   69  far    0    65   0   -  7.0-9.8
      HA    LYS   80 - HB2   CYS   69  far    0    90   0   -  7.0-8.5
      HA    LEU   62 - HB2   CYS   69  far    0    71   0   -  7.4-10.0
      HA    ARG   48 - HB2   CYS   69  far    0    63   0   -  7.5-9.3
      HD3   PRO  112 - HB2   CYS   69  far    0   100   0   -  9.8-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2547 from c13no.peaks (7.24, 2.60, 26.90 ppm; 4.95 A):
    1 out of 1 assignment used, quality = 0.94:
      QD    PHE   47 + HB2   CYS   69  OK    94    99  95 100  4.0-5.1   2.2/312=83, ~311=70, 96/4.0=66, 2542/1.8=66...(11)
    Violated in 1 structures by 0.01 A.
 
    Peak 2549 from c13no.peaks (7.38, 2.51, 26.90 ppm; 5.23 A increased from 4.65 A):
    1 out of 4 assignments used, quality = 0.89:
      QE    PHE   47 + HB3   CYS   69  OK    89    89 100 100  2.9-5.3   312/1.8=83, 311=83, 2.2/2542=71, 3164/2557=63...(9)
      HH2   TRP   72 - HB3   CYS   69  far    7    96   8   -  4.5-7.0
      H     GLU   67 - HB3   CYS   69  far    0   100   0   -  5.4-6.7
      HZ2   TRP   72 - HB3   CYS   69  far    0    81   0   -  6.0-8.3
    Violated in 2 structures by 0.01 A.
 
    Peak 2550 from c13no.peaks (7.38, 2.60, 26.90 ppm; 4.69 A):
    2 out of 4 assignments used, quality = 0.88:
      QE    PHE   47 + HB2   CYS   69  OK    84    89  95 100  3.8-4.7   312=89, 311/1.8=83, 2.2/2547=69, 3164/2561=59...(10)
      HH2   TRP   72 + HB2   CYS   69  OK    23    96  43  56  4.3-7.2   ~213=43, 205/2563=22
      H     GLU   67 - HB2   CYS   69  far   15   100  15   -  4.8-7.4
      HZ2   TRP   72 - HB2   CYS   69  far    0    81   0   -  5.7-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2551 from c13no.peaks (7.96, 2.60, 26.90 ppm; 4.38 A):
    2 out of 2 assignments used, quality = 1.00:
      H     ARG   70 + HB2   CYS   69  OK   100   100 100 100  2.5-4.0   4.3=100
      H     LEU   73 + HB2   CYS   69  OK    21    63  60  57  3.7-5.5   3.8/2564=31, 2539/3.0=22, 319/6.1=19
    Violated in 0 structures by 0.00 A.
 
    Peak 2552 from c13no.peaks (8.59, 2.60, 26.90 ppm; 3.93 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYS   69 + HB2   CYS   69  OK   100   100 100 100  2.1-3.6   984=96, 986/1.8=85, 198/4.3=44, 96/2547=33...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2553 from c13no.peaks (2.77, 3.12, 63.60 ppm; 5.00 A increased from 4.70 A):
    1 out of 1 assignment used, quality = 0.97:
      HB3   TRP   72 + HA    CYS   69  OK    97    97 100 100  2.5-4.9   2637=94, 228/247=73, 1.8/2638=73, 124/123=71...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2554 from c13no.peaks (1.11, 3.12, 63.60 ppm; 5.50 A increased from 5.30 A):
    2 out of 2 assignments used, quality = 0.98:
      QG2   VAL   88 + HA    CYS   69  OK    97   100  98  99  4.7-5.5   2561/3.0=90, 2557/3.0=80, 992/3.6=55, 6.6/2556=14
     ?HB3   LEU   73 + HA    CYS   69  OK    25    99  93  26  4.5-5.7   992/3.6=18, 2557/3.0=9
    Violated in 0 structures by 0.00 A.
 
    Peak 2555 from c13no.peaks (0.93, 3.12, 63.60 ppm; 4.04 A):
    0 out of 2 assignments used, quality = 0.00:
      QG1   VAL   88 + HA    CYS   69  far    0    68   0   -  7.1-8.0
    Violated in 20 structures by 0.99 A.
 
    Peak 2556 from c13no.peaks (0.76, 3.12, 63.60 ppm; 5.50 A increased from 4.89 A):
    3 out of 4 assignments used, quality = 0.96:
      QD1   LEU   84 + HA    CYS   69  OK    81    81 100 100  4.1-5.2   3002/3.0=75, 990/3.6=70, 2996/5.4=56, 2573/5.1=51...(11)
      QD1   LEU   87 + HA    CYS   69  OK    66    81  95  86  3.8-5.6   216/213=40, 2560/3.0=32, 3094/123=31, 6.6/2554=30
     ?HB3   LEU   73 + HA    CYS   69  OK    34    96  93  38  4.5-5.7   2636/2638=21, 754/2539=15, 2560/3.0=4, 2563/3.0=4
      QD1   LEU   65 - HA    CYS   69  far    0    99   0   -  7.9-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2557 from c13no.peaks (1.11, 2.51, 26.90 ppm; 4.23 A):
    1 out of 2 assignments used, quality = 0.99:
      QG2   VAL   88 + HB3   CYS   69  OK    99   100 100  99  3.1-3.8   2561/1.8=78, 3164/311=49, 2429/2541=46, 2554/3.0=32...(9)
     ?HB3   LEU   73 - HB3   CYS   69  poor  10    99  40  24  3.5-6.7   2554/3.0=14, 992/4.3=12
    Violated in 0 structures by 0.00 A.
 
    Peak 2559 from c13no.peaks (0.94, 2.51, 26.90 ppm; 4.33 A):
    1 out of 1 assignment used, quality = 0.36:
     ?HB3   LEU   73 + HB3   CYS   69  OK    36   100  40  90  3.5-6.7   991/4.3=62, 2564/1.8=58, 1904/6.1=18, 1933/2560=8...(6)
    Violated in 15 structures by 1.14 A.
 
    Peak 2560 from c13no.peaks (0.74, 2.51, 26.90 ppm; 4.57 A):
    2 out of 6 assignments used, quality = 0.93:
      QD1   LEU   87 + HB3   CYS   69  OK    76   100 100  76  2.3-4.4   2563/1.8=32, 6.6/2557=27, 1123/1116=24, 3095/311=18...(6)
      QD1   LEU   84 + HB3   CYS   69  OK    70   100  70 100  1.8-5.0   3002/1.8=93, 990/4.3=55, 2431/2541=42, ~3005=41...(13)
     ?HB3   LEU   73 - HB3   CYS   69  lone   6    95  43  15  3.5-6.7   2556/3.0=11, 2563/1.8=4
      QD1   LEU   65 - HB3   CYS   69  far    0    97   0   -  6.1-8.0
      QD2   LEU   45 - HB3   CYS   69  far    0    93   0   -  9.3-11.9
      QD2   LEU   89 - HB3   CYS   69  far    0    99   0   -  9.5-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2561 from c13no.peaks (1.11, 2.60, 26.90 ppm; 4.17 A):
    1 out of 2 assignments used, quality = 0.97:
      QG2   VAL   88 + HB2   CYS   69  OK    97   100 100  97  2.8-4.2   2557/1.8=68, 3164/312=43, 2429/2546=37, 3165/2547=32...(8)
     ?HB3   LEU   73 - HB2   CYS   69  poor  20    99  20   -  4.0-5.5
    Violated in 2 structures by 0.00 A.
 
    Peak 2562 from c13no.peaks (0.93, 2.51, 26.90 ppm; 4.33 A):
    1 out of 2 assignments used, quality = 0.35:
     ?HB3   LEU   73 + HB3   CYS   69  OK    35   100  40  88  3.5-6.7   991/4.3=61, 2564/1.8=59, 1904/6.1=14, 1933/2560=6
      QG1   VAL   88 - HB3   CYS   69  far    0    68   0   -  5.3-6.4
    Violated in 15 structures by 1.14 A.
 
    Peak 2563 from c13no.peaks (0.74, 2.60, 26.90 ppm; 4.57 A):
    2 out of 6 assignments used, quality = 1.00:
      QD1   LEU   84 + HB2   CYS   69  OK   100   100 100 100  2.8-3.9   3002=96, 990/4.3=56, 2.3/3005=39, 2996/6.1=39...(14)
      QD1   LEU   87 + HB2   CYS   69  OK    75   100 100  75  2.0-4.3   2560/1.8=39, 6.6/2561=30, 3095/312=17, 2556/3.0=13...(7)
     ?HB3   LEU   73 - HB2   CYS   69  lone   7    95  50  15  4.0-5.5   2556/3.0=11, 2560/1.8=4
      QD1   LEU   65 - HB2   CYS   69  far    0    97   0   -  6.2-7.9
      QD2   LEU   45 - HB2   CYS   69  far    0    93   0   -  9.6-11.9
      QD2   LEU   89 - HB2   CYS   69  far    0    99   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2564 from c13no.peaks (0.93, 2.60, 26.90 ppm; 5.45 A increased from 4.36 A):
    2 out of 2 assignments used, quality = 1.00:
     ?HB3   LEU   73 + HB2   CYS   69  OK   100   100 100 100  4.0-5.5   2562/1.8=100, 991/4.3=83, 1904/6.1=23, 1933/3002=20...(7)
      QG1   VAL   88 + HB2   CYS   69  OK    27    68  40 100  5.0-6.6   2.1/2561=97, ~2557=71, ~2554=39, 2762/312=38...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 2565 from c13no.peaks (3.62, 3.16, 43.16 ppm; 5.48 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   70 + HD3   ARG   70  OK    99    99 100 100  3.8-4.5   5.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2566 from c13no.peaks (1.53, 3.16, 43.16 ppm; 3.30 A):
    1 out of 4 assignments used, quality = 1.00:
      HG3   ARG   70 + HD3   ARG   70  OK   100   100 100 100  2.7-2.9   3.0=100
      HB3   LEU   68 - HD3   ARG   70  far    0    95   0   -  8.9-9.8
      HB3   ARG   78 - HD3   ARG   70  far    0   100   0   -  9.8-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2567 from c13no.peaks (0.74, 3.16, 43.16 ppm; 5.50 A increased from 4.58 A):
    1 out of 3 assignments used, quality = 0.72:
      QD1   LEU   84 + HD3   ARG   70  OK    72   100  73 100  4.4-5.6   2574/3.0=91, 2573/3.3=90, 2572/3.0=83, 2570/1.8=82...(12)
      QD1   LEU   87 - HD3   ARG   70  far    0   100   0   -  8.0-9.3
    Violated in 15 structures by 0.05 A.
 
    Peak 2568 from c13no.peaks (1.75, 3.16, 43.16 ppm; 3.44 A):
    1 out of 5 assignments used, quality = 1.00:
      HG2   ARG   70 + HD3   ARG   70  OK   100   100 100 100  2.2-2.2   3.0=100
      QD    LYS   80 - HD3   ARG   70  far    0   100   0   -  5.2-8.6
      QE    MET   83 - HD3   ARG   70  far    0    63   0   -  6.2-7.1
      QB    LEU   84 - HD3   ARG   70  far    0    97   0   -  7.1-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2569 from c13no.peaks (1.98, 3.16, 43.16 ppm; 3.52 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    ARG   70 + HD3   ARG   70  OK   100   100 100 100  3.1-3.3   3.3=100
      QG    PRO   75 - HD3   ARG   70  far    2   100   3   -  2.9-5.0
      QB    GLU   76 - HD3   ARG   70  far    0    99   0   -  6.5-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2570 from c13no.peaks (0.74, 3.23, 43.16 ppm; 5.50 A increased from 4.45 A):
    1 out of 3 assignments used, quality = 0.95:
      QD1   LEU   84 + HD2   ARG   70  OK    95   100  95 100  3.4-5.6   2574/3.0=91, 2573/3.3=90, 2996/214=85, 2572/3.0=83...(11)
      QD1   LEU   87 - HD2   ARG   70  far    0   100   0   -  7.0-9.1
    Violated in 4 structures by 0.01 A.
 
    Peak 2571 from c13no.peaks (1.53, 3.23, 43.16 ppm; 3.37 A):
    1 out of 5 assignments used, quality = 1.00:
      HG3   ARG   70 + HD2   ARG   70  OK   100   100 100 100  2.7-2.9   3.0=100
      HB3   LEU   68 - HD2   ARG   70  far    0    87   0   -  7.2-8.6
      QB    ALA   63 - HD2   ARG   70  far    0    90   0   -  9.1-9.9
      HB3   ARG   78 - HD2   ARG   70  far    0   100   0   -  9.7-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2572 from c13no.peaks (0.74, 1.53, 28.98 ppm; 4.63 A increased from 3.90 A):
    1 out of 3 assignments used, quality = 0.89:
      QD1   LEU   84 + HG3   ARG   70  OK    89    89 100 100  3.2-4.4   2574/1.8=91, 2573/2.5=83, 2996/3.8=75, 990/2603=53...(13)
      QD1   LEU   87 - HG3   ARG   70  far    0    89   0   -  7.2-8.5
    Violated in 1 structures by 0.00 A.
 
    Peak 2573 from c13no.peaks (0.74, 1.98, 30.39 ppm; 3.94 A):
    1 out of 5 assignments used, quality = 1.00:
      QD1   LEU   84 + QB    ARG   70  OK   100   100 100 100  2.0-3.0   2996/2.5=79, 2574/2.5=63, 990/3.3=53, 2572/2.5=51...(12)
      QD1   LEU   87 - QB    ARG   70  far    0   100   0   -  5.0-6.4
      QD1   LEU   65 - QB    ARG   70  far    0    97   0   -  8.0-8.7
      QD1   LEU   65 - HB2   GLU   53  far    0    82   0   -  8.5-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2574 from c13no.peaks (0.74, 1.75, 28.60 ppm; 4.03 A increased from 3.58 A):
    1 out of 3 assignments used, quality = 0.77:
      QD1   LEU   84 + HG2   ARG   70  OK    77    77 100 100  3.1-4.0   2573/2.5=67, 2996/1195=61, 2572/1.8=60, 990/2607=41...(12)
      QD1   LEU   87 - HG2   ARG   70  far    0    77   0   -  6.7-7.9
    Violated in 2 structures by 0.00 A.
 
    Peak 2575 from c13no.peaks (1.52, 1.75, 28.60 ppm; 3.01 A):
    1 out of 5 assignments used, quality = 0.77:
      HG3   ARG   70 + HG2   ARG   70  OK    77    77 100 100  1.8-1.8   1.8=100
      HB3   LYS   80 - HG2   ARG   70  far    0    46   0   -  3.8-6.7
      HB3   LEU   68 - HG2   ARG   70  far    0    74   0   -  8.6-9.6
      HB3   ARG   78 - HG2   ARG   70  far    0    77   0   -  8.9-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2576 from c13no.peaks (1.98, 3.23, 43.16 ppm; 3.39 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    ARG   70 + HD2   ARG   70  OK   100   100 100 100  2.0-2.1   3.3=100
      QG    PRO   75 - HD2   ARG   70  far    2   100   3   -  2.7-5.9
      QB    GLU   76 - HD2   ARG   70  far    0    99   0   -  7.6-9.5
      QB    GLN   82 - HD2   ARG   70  far    0    90   0   -  9.6-12.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2577 from c13no.peaks (1.75, 3.23, 43.16 ppm; 3.31 A):
    1 out of 5 assignments used, quality = 1.00:
      HG2   ARG   70 + HD2   ARG   70  OK   100   100 100 100  2.7-2.9   3.0=100
      QD    LYS   80 - HD2   ARG   70  far    0   100   0   -  4.7-8.8
      QB    LEU   84 - HD2   ARG   70  far    0    97   0   -  5.7-7.8
      QE    MET   83 - HD2   ARG   70  far    0    63   0   -  6.1-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2578 from c13no.peaks (3.62, 3.23, 43.16 ppm; 5.07 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   70 + HD2   ARG   70  OK    99    99 100 100  4.0-4.1   214=99, 1195/3.0=88, 2.9/2599=73, 213/3.0=63...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2579 from c13no.peaks (1.75, 1.53, 28.98 ppm; 3.03 A):
    1 out of 5 assignments used, quality = 0.90:
      HG2   ARG   70 + HG3   ARG   70  OK    90    90 100 100  1.8-1.8   1.8=100
      QD    LYS   80 - HG3   ARG   70  far    0    89   0   -  3.6-6.4
      QE    MET   83 - HG3   ARG   70  far    0    51   0   -  5.3-6.3
      QB    LEU   84 - HG3   ARG   70  far    0    85   0   -  5.6-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2580 from c13no.peaks (1.99, 1.53, 28.98 ppm; 3.46 A):
    2 out of 5 assignments used, quality = 0.95:
      QB    ARG   70 + HG3   ARG   70  OK    87    87 100 100  2.1-2.1   2.5=100
      QG    PRO   75 + HG3   ARG   70  OK    63    90  85  83  2.7-3.9   2.2/2682=47, 2.2/2678=31, ~2585=19, 6.0/2604=14...(7)
      QB    GLU   76 - HG3   ARG   70  far    0    89   0   -  7.5-8.8
      HB2   GLU   81 - HG3   ARG   70  far    0    53   0   -  8.3-10.9
      QB    GLN   82 - HG3   ARG   70  far    0    83   0   -  9.3-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2581 from c13no.peaks (1.75, 1.98, 30.39 ppm; 2.61 A increased from 2.46 A):
    1 out of 7 assignments used, quality = 1.00:
      HG2   ARG   70 + QB    ARG   70  OK   100   100 100 100  2.5-2.5   2.5=100
      QD    LYS   80 - QB    ARG   70  far    0   100   0   -  4.1-6.4
      QB    LEU   84 - QB    ARG   70  far    0    97   0   -  4.1-4.7
      QE    MET   83 - QB    ARG   70  far    0    63   0   -  4.6-5.8
      HB2   LEU   86 - QB    ARG   70  far    0    85   0   -  8.9-11.3
      HG3   ARG  123 - HB2   GLU   53  far    0    85   0   -  9.9-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2582 from c13no.peaks (1.30, 1.98, 30.39 ppm; 4.69 A increased from 4.17 A):
    1 out of 4 assignments used, quality = 0.77:
      QG2   THR   56 + HB2   GLU   53  OK    77    77 100 100  4.0-4.5   2081/1.8=90, 2078/2.5=83, ~2101=57, ~2103=54...(11)
     ?HB3   LEU   73 - QB    ARG   70  poor   9    88  30  36  4.6-7.2   1905/2.5=13, 998/995=8, 3169/2573=8, 2679/1010=7
      HB3   LEU   62 - QB    ARG   70  far    0    89   0   -  9.1-10.0
      HG3   GLN   91 - QB    ARG   70  far    0    87   0   -  9.6-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2583 from c13no.peaks (3.17, 1.98, 30.39 ppm; 3.77 A):
    2 out of 3 assignments used, quality = 1.00:
      HD3   ARG   70 + QB    ARG   70  OK   100   100 100 100  3.1-3.3   3.3=100
      HD3   PRO   75 + QB    ARG   70  OK    65    97  68  99  2.7-4.1   1188/2.5=62, 1010=37, ~2687=37, ~2682=36...(12)
      QD    ARG   74 - QB    ARG   70  far    0    65   0   -  5.3-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2584 from c13no.peaks (3.23, 1.98, 30.39 ppm; 3.58 A):
    1 out of 5 assignments used, quality = 1.00:
      HD2   ARG   70 + QB    ARG   70  OK   100   100 100 100  2.0-2.1   3.3=100
      HA    LEU   73 - QB    ARG   70  far    0   100   0   -  7.0-7.4
      HD3   PRO   97 - HB2   GLU   53  far    0    85   0   -  8.8-10.0
      QD    ARG   46 - QB    ARG   70  far    0    73   0   -  8.8-12.1
      HB2   PHE   50 - HB2   GLU   53  far    0    46   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2585 from c13no.peaks (3.17, 1.75, 28.60 ppm; 3.67 A):
    2 out of 3 assignments used, quality = 0.93:
      HD3   PRO   75 + HG2   ARG   70  OK    74    76 100  96  2.3-3.0   1188/1195=43, ~2682=41, 2678/1.8=38, ~2594=37...(9)
      HD3   ARG   70 + HG2   ARG   70  OK    74    74 100 100  2.2-2.2   3.0=100
      QD    ARG   74 - HG2   ARG   70  far    0    54   0   -  4.0-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2586 from c13no.peaks (3.23, 1.75, 28.60 ppm; 3.81 A):
    1 out of 2 assignments used, quality = 0.75:
      HD2   ARG   70 + HG2   ARG   70  OK    75    75 100 100  2.7-2.9   3.0=100
      HA    LEU   73 - HG2   ARG   70  far    0    78   0   -  6.8-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2587 from c13no.peaks (3.17, 1.53, 28.98 ppm; 3.57 A):
    1 out of 3 assignments used, quality = 0.86:
      HD3   ARG   70 + HG3   ARG   70  OK    86    86 100 100  2.7-2.9   3.0=100
      HD3   PRO   75 - HG3   ARG   70  far   13    89  15   -  3.4-4.2
      QD    ARG   74 - HG3   ARG   70  far    0    65   0   -  5.5-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2588 from c13no.peaks (3.23, 1.53, 28.98 ppm; 3.46 A):
    1 out of 2 assignments used, quality = 0.90:
      HD2   ARG   70 + HG3   ARG   70  OK    90    90 100 100  2.7-2.9   3.0=100
      HA    LEU   73 - HG3   ARG   70  far    0    89   0   -  8.4-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2589 from c13no.peaks (3.62, 1.53, 28.98 ppm; 4.15 A):
    1 out of 1 assignment used, quality = 0.90:
      HA    ARG   70 + HG3   ARG   70  OK    90    90 100 100  3.5-3.7   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2590 from c13no.peaks (4.00, 3.16, 43.16 ppm; 4.92 A):
    2 out of 3 assignments used, quality = 1.00:
      HD2   PRO   75 + HD3   ARG   70  OK    99   100 100  99  2.5-4.0   2682/3.0=77, 313/2605=52, 2687/5.2=50, 3006/2567=43...(9)
      HA    GLN   71 + HD3   ARG   70  OK    86    89  98 100  2.4-3.2   2592/1.8=87, 3.0/273=72, ~274=53, ~276=43...(8)
      QA    GLY  127 - HD3   ARG  370  far    0    63   0   -  9.6-38.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2591 from c13no.peaks (4.21, 3.16, 43.16 ppm; 5.50 A increased from 4.60 A):
    1 out of 2 assignments used, quality = 0.80:
      HA    GLU   67 + HD3   ARG   70  OK    80   100  80 100  4.9-5.7   2593/1.8=98, 2596/3.0=74, 220/273=58, 196/2597=57
      HA    GLU   76 - HD3   ARG   70  far    0    83   0   -  6.8-9.0
    Violated in 6 structures by 0.03 A.
 
    Peak 2592 from c13no.peaks (4.00, 3.23, 43.16 ppm; 4.59 A):
    1 out of 2 assignments used, quality = 0.78:
      HA    GLN   71 + HD2   ARG   70  OK    78    81  98  99  2.9-3.5   3.0/274=54, ~273=47, 5.4/214=42, ~276=37...(9)
      HD2   PRO   75 - HD2   ARG   70  far    5   100   5   -  3.2-5.3
    Violated in 1 structures by 0.06 A.
 
    Peak 2593 from c13no.peaks (4.22, 3.23, 43.16 ppm; 4.31 A):
    1 out of 2 assignments used, quality = 0.91:
      HA    GLU   67 + HD2   ARG   70  OK    91   100 100  91  3.2-4.2   2591/1.8=47, 2596/3.0=46, 196/2599=39, 2481/274=30
      HA    GLU   76 - HD2   ARG   70  far    0    73   0   -  7.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2594 from c13no.peaks (4.00, 1.53, 28.98 ppm; 4.55 A):
    1 out of 3 assignments used, quality = 0.89:
      HD2   PRO   75 + HG3   ARG   70  OK    89    89 100 100  2.7-4.1   2682=100, 2687/3.8=60, 1.8/2678=57, 3006/2572=47...(10)
      HA    GLN   71 - HG3   ARG   70  far    1    56   3   -  3.3-5.5
      HB3   SER   79 - HG3   ARG   70  far    0    87   0   -  9.1-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2596 from c13no.peaks (4.22, 1.53, 28.98 ppm; 5.24 A increased from 4.93 A):
    1 out of 2 assignments used, quality = 0.88:
      HA    GLU   67 + HG3   ARG   70  OK    88    89 100  99  3.6-5.2   2593/3.0=83, 2591/3.0=64, 196/2603=59, 2481/5.0=55
      HA    GLU   76 - HG3   ARG   70  far    0    60   0   -  7.7-9.2
    Violated in 1 structures by 0.00 A.
 
    Peak 2597 from c13no.peaks (7.96, 3.16, 43.16 ppm; 5.50 A increased from 5.02 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ARG   70 + HD3   ARG   70  OK    97   100  98 100  5.0-5.5   989/3.3=97, 2599/1.8=93, 2607/3.0=84, 2603/3.0=83...(14)
      H     LEU   73 - HD3   ARG   70  far    0    60   0   -  6.1-7.1
    Violated in 2 structures by 0.02 A.
 
    Peak 2598 from c13no.peaks (8.65, 3.16, 43.16 ppm; 5.41 A):
    0 out of 1 assignment used, quality = 0.00:
      H     ARG   66 + HD3   ARG   70  far    0    68   0   -  9.8-10.4
    Violated in 20 structures by 4.69 A.
 
    Peak 2599 from c13no.peaks (7.97, 3.23, 43.16 ppm; 4.80 A):
    1 out of 2 assignments used, quality = 0.99:
      H     ARG   70 + HD2   ARG   70  OK    99    99 100 100  3.9-4.4   989/3.3=87, 2.9/214=77, 2603/3.0=67, 2607/3.0=66...(13)
      H     LEU   73 - HD2   ARG   70  far    0    76   0   -  6.2-7.0
    Violated in 1 structures by 0.00 A.
 
    Peak 2600 from c13no.peaks (8.65, 3.23, 43.16 ppm; 5.50 A):
    0 out of 2 assignments used, quality = 0.00:
      H     ARG   66 + HD2   ARG   70  far    0    68   0   -  8.3-9.0
      H     LEU   65 + HD2   ARG   70  far    0    81   0   -  9.8-10.5
    Violated in 20 structures by 2.65 A.
 
    Peak 2601 from c13no.peaks (7.38, 3.23, 43.16 ppm; 4.74 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLU   67 + HD2   ARG   70  far    0   100   0   -  6.1-6.7
      QE    PHE   47 + HD2   ARG   70  far    0    90   0   -  9.3-10.3
    Violated in 20 structures by 1.58 A.
 
    Peak 2602 from c13no.peaks (7.38, 3.16, 43.16 ppm; 5.08 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLU   67 + HD3   ARG   70  far    0   100   0   -  7.7-8.3
    Violated in 20 structures by 2.95 A.
 
    Peak 2603 from c13no.peaks (7.96, 1.53, 28.98 ppm; 4.68 A):
    1 out of 2 assignments used, quality = 0.90:
      H     ARG   70 + HG3   ARG   70  OK    90    90 100 100  4.0-4.6   989/2.5=95, 4.9=84, 2607/1.8=82, 2599/3.0=62...(14)
      H     LEU   73 - HG3   ARG   70  far    0    49   0   -  6.5-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2604 from c13no.peaks (8.34, 1.53, 28.98 ppm; 5.50 A increased from 4.94 A):
    1 out of 1 assignment used, quality = 0.65:
      H     ARG   74 + HG3   ARG   70  OK    65    87  75 100  5.1-5.7   3659/1.8=92, 2610/3.8=84, 313/2682=79, 2605/3.0=73...(10)
    Violated in 13 structures by 0.04 A.
 
    Peak 2605 from c13no.peaks (8.34, 3.16, 43.16 ppm; 5.33 A increased from 5.01 A):
    1 out of 1 assignment used, quality = 0.93:
      H     ARG   74 + HD3   ARG   70  OK    93    99  95 100  4.5-5.4   3659/3.0=77, 2606/1.8=72, 2604/3.0=66, 2610/5.2=62...(7)
    Violated in 1 structures by 0.01 A.
 
    Peak 2606 from c13no.peaks (8.35, 3.23, 43.16 ppm; 5.50 A increased from 5.26 A):
    1 out of 1 assignment used, quality = 0.75:
      H     ARG   74 + HD2   ARG   70  OK    75   100  75 100  5.4-5.7   3659/3.0=84, 314/214=80, 2605/1.8=79, 2604/3.0=64...(6)
    Violated in 16 structures by 0.05 A.
 
    Peak 2607 from c13no.peaks (7.96, 1.75, 28.60 ppm; 4.54 A increased from 4.27 A):
    1 out of 1 assignment used, quality = 0.77:
      H     ARG   70 + HG2   ARG   70  OK    77    77 100 100  4.3-4.4   989/2.5=93, 2.9/1195=79, 4.9=77, 2603/1.8=75...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2608 from c13no.peaks (8.35, 1.75, 28.60 ppm; 4.89 A):
    1 out of 1 assignment used, quality = 0.77:
      H     ARG   74 + HG2   ARG   70  OK    77    78 100 100  3.6-4.1   314/1195=74, 2604/1.8=63, 2605/3.0=57, 2606/3.0=56...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2609 from c13no.peaks (7.96, 3.62, 60.59 ppm; 3.70 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   70 + HA    ARG   70  OK   100   100 100 100  2.7-2.8   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2610 from c13no.peaks (8.35, 3.62, 60.59 ppm; 3.88 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   74 + HA    ARG   70  OK   100   100 100 100  2.7-3.2   314=100, 313/2687=44, 290/319=43, 2704/1188=41...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2611 from c13no.peaks (2.14, 2.71, 34.75 ppm; 3.10 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    GLN   71 + HG2   GLN   71  OK   100   100 100 100  2.3-2.4   2.5=100
      HB2   LEU   68 - HG2   GLN   71  far    0    83   0   -  4.0-6.5
      QB    GLU   67 - HG2   GLN   71  far    0    81   0   -  4.2-5.5
      HB3   GLN   64 - HG2   GLN   71  far    0   100   0   -  8.5-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2612 from c13no.peaks (2.45, 2.14, 28.91 ppm; 2.98 A):
    2 out of 3 assignments used, quality = 1.00:
      HG3   GLN   71 + QB    GLN   71  OK   100   100 100 100  2.2-2.4   2.5=100
      HG3   GLN   64 + HB3   GLN   64  OK    49    49 100 100  2.9-2.9   3.0=98, 2334/1.8=45, 3.9/1340=35, 3.5/915=25...(12)
      HG3   GLN   71 - HB3   GLN   64  far    0    90   0   -  8.8-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2613 from c13no.peaks (2.71, 2.45, 34.75 ppm; 2.68 A):
    1 out of 3 assignments used, quality = 0.99:
      HG2   GLN   71 + HG3   GLN   71  OK    99    99 100 100  1.8-1.8   1.8=100
      QB    PRO   40 - HG3   GLN   71  far    0    76   0   -  4.9-8.1
      HA    ARG   44 - HG3   GLN   71  far    0    83   0   -  5.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2614 from c13no.peaks (1.56, 2.71, 34.75 ppm; 4.52 A):
    0 out of 3 assignments used, quality = 0.00:
      QG    ARG   74 + HG2   GLN   71  far    0    63   0   -  5.0-6.6
      QB    ALA   63 + HG2   GLN   71  far    0    98   0   -  9.3-10.2
    Violated in 20 structures by 1.40 A.
 
    Peak 2616 from c13no.peaks (1.56, 2.45, 34.75 ppm; 4.18 A):
    0 out of 5 assignments used, quality = 0.00:
      QG    ARG   74 + HG3   GLN   71  far    0    63   0   -  4.4-6.0
      QB    ALA   63 + HG3   GLN   71  far    0    98   0   -  9.6-11.5
      QG    ARG   74 + QG    GLN   82  far    0    62   0   - 10.0-12.4
    Violated in 20 structures by 1.36 A.
 
    Peak 2617 from c13no.peaks (0.92, 2.45, 34.75 ppm; 3.55 A):
    0 out of 5 assignments used, quality = 0.00:
      QG1   VAL   88 + QG    GLN   82  far    0    88   0   -  7.6-9.7
      QG1   VAL   77 + QG    GLN   82  far    0    80   0   -  7.9-9.7
      QG1   VAL   88 + HG3   GLN   71  far    0    89   0   - 10.0-12.1
    Violated in 20 structures by 3.39 A.
 
    Peak 2618 from c13no.peaks (0.93, 2.71, 34.75 ppm; 5.01 A):
    0 out of 2 assignments used, quality = 0.00:
      QG1   VAL   88 + HG2   GLN   71  far    0    78   0   -  9.3-10.8
    Violated in 20 structures by 2.69 A.
 
    Peak 2620 from c13no.peaks (4.34, 2.45, 34.75 ppm; 3.76 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    PRO   75 + QG    GLN   82  far    0    99   0   -  5.6-8.3
    Violated in 20 structures by 3.90 A.
 
    Peak 2621 from c13no.peaks (6.73, 2.71, 34.75 ppm; 4.39 A):
    1 out of 1 assignment used, quality = 1.00:
      HE22  GLN   71 + HG2   GLN   71  OK   100   100 100 100  3.4-3.6   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2622 from c13no.peaks (7.35, 2.71, 34.75 ppm; 4.95 A increased from 4.66 A):
    1 out of 2 assignments used, quality = 0.99:
      H     TRP   72 + HG2   GLN   71  OK    99    99 100 100  3.1-5.0   2341/2.5=90, 193/271=85, 3.6/1355=78, 5.5=72...(8)
      QE    PHE   47 - HG2   GLN   71  far    0    90   0   -  7.7-9.9
    Violated in 3 structures by 0.00 A.
 
    Peak 2623 from c13no.peaks (7.87, 2.71, 34.75 ppm; 3.88 A):
    1 out of 3 assignments used, quality = 0.99:
      HE21  GLN   71 + HG2   GLN   71  OK    99    99 100 100  2.1-2.5   3.5=100
      H     ALA   43 - HG2   GLN   71  far    0    96   0   -  6.3-9.3
      H     ALA   42 - HG2   GLN   71  far    0   100   0   -  8.5-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2624 from c13no.peaks (8.32, 2.71, 34.75 ppm; 3.64 A):
    1 out of 1 assignment used, quality = 0.98:
      H     GLN   71 + HG2   GLN   71  OK    98    98 100 100  1.8-3.0   271=97, 275/2.5=72, 272/1.8=67, 3.0/1355=53...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 2625 from c13no.peaks (6.73, 2.45, 34.75 ppm; 4.34 A):
    1 out of 1 assignment used, quality = 1.00:
      HE22  GLN   71 + HG3   GLN   71  OK   100   100 100 100  3.5-4.1   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2626 from c13no.peaks (7.35, 2.45, 34.75 ppm; 5.30 A increased from 4.46 A):
    1 out of 3 assignments used, quality = 0.99:
      H     TRP   72 + HG3   GLN   71  OK    99    99 100 100  2.8-5.2   2341/2.5=95, 5.5=89, 2622/1.8=88, 225/2628=83...(8)
      QE    PHE   47 - HG3   GLN   71  far    0    90   0   -  8.1-11.1
      HZ2   TRP   72 - HG3   GLN   71  far    0    96   0   -  9.4-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2627 from c13no.peaks (7.88, 2.45, 34.75 ppm; 3.71 A):
    2 out of 5 assignments used, quality = 0.97:
      HE21  GLN   71 + HG3   GLN   71  OK    95    95 100 100  2.2-3.5   3.5=100
      H     GLN   82 + QG    GLN   82  OK    37    65  60  94  2.3-4.0   4.3=62, 2.9/305=47, 347/4.5=37, 322/2934=28...(9)
      H     ALA   43 - HG3   GLN   71  far    0    87   0   -  4.6-9.1
      H     GLU   85 - QG    GLN   82  far    0   100   0   -  5.4-6.3
      H     ALA   42 - HG3   GLN   71  far    0   100   0   -  6.8-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2628 from c13no.peaks (8.32, 2.45, 34.75 ppm; 3.95 A increased from 3.72 A):
    1 out of 3 assignments used, quality = 0.92:
      H     GLN   71 + HG3   GLN   71  OK    92    92 100 100  2.4-3.8   272=87, 2624/1.8=82, 275/2.5=76, 3.0/1348=41...(10)
      H     ARG   74 - HG3   GLN   71  far    0    65   0   -  5.9-7.0
      H     ARG   74 - QG    GLN   82  far    0    65   0   -  8.9-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2629 from c13no.peaks (8.32, 2.14, 28.91 ppm; 3.70 A):
    1 out of 2 assignments used, quality = 0.98:
      H     GLN   71 + QB    GLN   71  OK    98    98 100 100  2.2-2.7   3.3=100
      H     GLN   71 - HB3   GLN   64  far    0    87   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2630 from c13no.peaks (8.32, 3.98, 59.02 ppm; 3.57 A):
    1 out of 1 assignment used, quality = 0.98:
      H     GLN   71 + HA    GLN   71  OK    98    98 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2631 from c13no.peaks (7.36, 3.98, 59.02 ppm; 4.37 A):
    1 out of 3 assignments used, quality = 0.95:
      H     TRP   72 + HA    GLN   71  OK    95    95 100 100  3.4-3.4   3.6=100
      H     GLU   67 - HA    GLN   71  far    0    60   0   -  8.3-8.9
      QE    PHE   47 - HA    GLN   71  far    0    97   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2632 from c13no.peaks (7.36, 2.14, 28.91 ppm; 3.79 A increased from 3.57 A):
    1 out of 6 assignments used, quality = 0.84:
      H     TRP   72 + QB    GLN   71  OK    84    85 100  99  3.1-3.7   4.0=83, 193/275=57, 1652/1628=43, 2622/2.5=37...(12)
      H     GLU   67 - HB3   GLN   64  far    0    63   0   -  5.3-5.7
      H     GLU   67 - QB    GLN   71  far    0    76   0   -  6.4-7.5
      QE    PHE   47 - HB3   GLN   64  far    0    90   0   -  7.4-8.3
      QE    PHE   47 - QB    GLN   71  far    0   100   0   -  7.8-9.2
      HZ2   TRP   72 - QB    GLN   71  far    0   100   0   -  9.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2633 from c13no.peaks (1.61, 2.76, 28.49 ppm; 4.15 A):
    1 out of 6 assignments used, quality = 1.00:
      QB    ALA   43 + HB3   TRP   72  OK   100   100 100 100  1.9-2.6   1629=90, 1630/1.8=77, 1632/3.0=69, 1652/228=53...(13)
      QG    ARG   74 - HB3   TRP   72  far    0    63   0   -  5.1-5.6
      QG    ARG   48 - HB3   TRP   72  far    0   100   0   -  6.6-10.1
      HG    LEU   45 - HB3   TRP   72  far    0   100   0   -  7.0-9.3
      QG    ARG   66 - HB3   TRP   72  far    0    76   0   -  9.4-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2634 from c13no.peaks (0.79, 2.76, 28.49 ppm; 5.50 A increased from 5.27 A):
    1 out of 3 assignments used, quality = 0.95:
      HG    LEU   73 + HB3   TRP   72  OK    95   100  95 100  4.9-5.4   1936/750=77, 209/124=52, 2636/1.8=44, 1896/7.3=38...(10)
     ?HB3   LEU   73 - HB3   TRP   72  far    5    98   5   -  4.3-6.3
      QD1   LEU   45 - HB3   TRP   72  far    0    57   0   -  5.9-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2635 from c13no.peaks (1.62, 3.32, 28.49 ppm; 4.72 A):
    1 out of 6 assignments used, quality = 0.97:
      QB    ALA   43 + HB2   TRP   72  OK    97    97 100 100  2.0-3.1   1629/1.8=96, 1632/3.0=81, 1652/229=68, 1630=64...(9)
     ?HB3   LEU   73 - HB2   TRP   72  far    1    46   3   -  4.8-5.1
      QG    ARG   46 - HB2   TRP   72  far    0    63   0   -  6.3-9.4
      QG    ARG   48 - HB2   TRP   72  far    0   100   0   -  6.5-9.8
      HG    LEU   45 - HB2   TRP   72  far    0   100   0   -  7.6-10.5
      QG    ARG   66 - HB2   TRP   72  far    0    63   0   -  9.1-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2636 from c13no.peaks (0.78, 3.32, 28.49 ppm; 5.34 A):
    2 out of 2 assignments used, quality = 0.99:
      HG    LEU   73 + HB2   TRP   72  OK    94    99  95 100  3.4-4.4   2634/1.8=77, 1936/4.2=71, 209/122=59, 5.4/2647=47...(10)
     ?HB3   LEU   73 + HB2   TRP   72  OK    85    97 100  88  4.8-5.1   1003/2647=46, 754/4.2=41, 236/6.0=33, 1931/7.0=20...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 2637 from c13no.peaks (3.13, 2.76, 28.49 ppm; 4.86 A):
    1 out of 1 assignment used, quality = 0.96:
      HA    CYS   69 + HB3   TRP   72  OK    96    97 100 100  2.5-4.9   2553=86, 2638/1.8=76, 123/124=69, 247/228=65...(8)
    Violated in 3 structures by 0.00 A.
 
    Peak 2638 from c13no.peaks (3.13, 3.32, 28.49 ppm; 4.98 A):
    1 out of 1 assignment used, quality = 0.90:
      HA    CYS   69 + HB2   TRP   72  OK    90    90 100 100  2.4-3.2   2637/1.8=82, 123/122=70, 247/229=64, 213/212=54...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 2639 from c13no.peaks (7.15, 2.76, 28.49 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 0.60:
      HD1   TRP   72 + HB3   TRP   72  OK    60    60 100 100  2.9-3.2   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2640 from c13no.peaks (7.35, 2.76, 28.49 ppm; 3.89 A):
    1 out of 3 assignments used, quality = 0.99:
      H     TRP   72 + HB3   TRP   72  OK    99    99 100 100  2.2-3.5   228=99, 229/1.8=87, 315/750=46, 1652/1629=44...(16)
      QE    PHE   47 - HB3   TRP   72  far    0    89   0   -  6.0-8.0
      HZ2   TRP   72 - HB3   TRP   72  far    0    95   0   -  6.1-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2641 from c13no.peaks (8.00, 2.76, 28.49 ppm; 4.24 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   73 + HB3   TRP   72  OK    99    99 100 100  2.5-3.9   4.2=100
      H     CYS   49 - HB3   TRP   72  far    0    63   0   -  9.4-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2642 from c13no.peaks (8.34, 2.76, 28.49 ppm; 5.50 A increased from 5.25 A):
    1 out of 2 assignments used, quality = 0.33:
      H     GLN   71 + HB3   TRP   72  OK    33    60  55  99  4.6-5.7   4.6/228=76, 6.7=56, 6.9/2637=39, 7.4/750=37...(10)
      H     ARG   74 - HB3   TRP   72  far    5    95   5   -  4.6-5.8
    Violated in 17 structures by 0.10 A.
 
    Peak 2643 from c13no.peaks (8.40, 2.76, 28.49 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 0.62:
      H     ARG   44 + HB3   TRP   72  OK    62    63 100  98  2.5-3.5   3.5/2633=84, 647/3.8=43, 4.7/695=42, 703=33...(8)
      H     ARG   48 - HB3   TRP   72  far    0    63   0   -  7.3-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2644 from c13no.peaks (7.15, 3.32, 28.49 ppm; 4.47 A):
    1 out of 1 assignment used, quality = 0.60:
      HD1   TRP   72 + HB2   TRP   72  OK    60    60 100 100  3.2-3.9   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2645 from c13no.peaks (7.35, 3.32, 28.49 ppm; 4.01 A):
    1 out of 3 assignments used, quality = 0.99:
      H     TRP   72 + HB2   TRP   72  OK    99    99 100 100  2.2-2.4   3.9=100
      HZ2   TRP   72 - HB2   TRP   72  far    0    95   0   -  6.1-6.1
      QE    PHE   47 - HB2   TRP   72  far    0    89   0   -  6.2-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2646 from c13no.peaks (8.00, 3.32, 28.49 ppm; 4.35 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   73 + HB2   TRP   72  OK    99    99 100 100  2.5-2.8   4.2=100
      H     CYS   49 - HB2   TRP   72  far    0    63   0   -  9.2-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2647 from c13no.peaks (8.34, 3.32, 28.49 ppm; 5.23 A):
    1 out of 2 assignments used, quality = 0.93:
      H     ARG   74 + HB2   TRP   72  OK    93    98  95  99  4.5-5.0   289/4.2=77, 291/229=75, 997/7.3=35, 1929/7.0=32...(10)
      H     ARG   48 - HB2   TRP   72  far    0    60   0   -  7.1-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2648 from c13no.peaks (1.77, 3.23, 57.48 ppm; 4.72 A):
    1 out of 7 assignments used, quality = 1.00:
      QE    MET   83 + HA    LEU   73  OK   100   100 100 100  3.8-4.3   1635/3.0=91, 1782/1783=82, 996/3.6=75, 1912/4.3=53...(11)
      HB3   ARG   74 - HA    LEU   73  far    0    71   0   -  5.8-6.0
      HG2   ARG   70 - HA    LEU   73  far    0    63   0   -  6.8-7.4
      QB    LEU   84 - HA    LEU   73  far    0    89   0   -  7.8-8.8
      HG2   ARG   78 - HA    LEU   73  far    0   100   0   -  8.3-11.0
      HB2   LEU   86 - HA    LEU   73  far    0    99   0   -  8.3-10.0
      HB3   GLU   41 - HA    LEU   73  far    0    76   0   -  9.4-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2649 from c13no.peaks (0.97, 3.23, 57.48 ppm; 4.14 A):
    1 out of 3 assignments used, quality = 1.00:
     ?HB3   LEU   73 + HA    LEU   73  OK   100   100 100 100  2.3-3.0   1899=96, 753/3.0=91, 1900/3.0=90, 1919/1922=85...(10)
      QD2   LEU   87 - HA    LEU   73  far    0    65   0   -  5.8-6.5
      QD2   LEU   68 - HA    LEU   73  far    0   100   0   -  8.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2650 from c13no.peaks (0.68, 3.23, 57.48 ppm; 3.95 A):
    0 out of 2 assignments used, quality = 0.00:
      QD1   LEU   86 - HA    LEU   73  far    0    92   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2651 from c13no.peaks (4.14, 1.80, 29.25 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   74 + HB3   ARG   74  OK    99    99 100 100  2.4-2.5   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2652 from c13no.peaks (4.13, 1.92, 29.25 ppm; 3.82 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    ARG   74 + HB2   ARG   74  OK   100   100 100 100  3.0-3.0   3.0=100
      HD2   PRO  112 - HB3   GLU  113  far    0    75   0   -  5.6-5.9
      HD2   PRO  112 - HB3   GLU   81  far    0    86   0   -  6.6-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2653 from c13no.peaks (4.14, 3.19, 44.13 ppm; 4.43 A increased from 4.17 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   74 + QD    ARG   74  OK    99    99 100 100  2.7-4.3   4.5=98, 1265/2.1=96, 5.8/2669=27
    Violated in 0 structures by 0.00 A.
 
    Peak 2654 from c13no.peaks (4.14, 1.59, 27.31 ppm; 3.53 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    ARG   74 + QG    ARG   74  OK    99    99 100 100  2.3-2.7   3.4=100
      HA    PHE   50 - HG    LEU   45  far    0    60   0   -  9.3-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2655 from c13no.peaks (3.65, 1.59, 27.31 ppm; 5.22 A increased from 4.40 A):
    1 out of 2 assignments used, quality = 0.49:
      HA    ARG   70 + QG    ARG   74  OK    49    57 100  86  4.2-5.1   2610/4.1=42, 1188/4.8=38, 1904/6.6=26, 2687/4.8=25...(6)
      HA    MET   83 - QG    ARG   74  far    0    90   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2656 from c13no.peaks (3.20, 1.59, 27.31 ppm; 3.01 A):
    1 out of 4 assignments used, quality = 1.00:
      QD    ARG   74 + QG    ARG   74  OK   100   100 100 100  2.0-2.1   2.1=100
      HD2   ARG   44 - HG    LEU   45  far    1    51   3   -  2.9-7.7
      HD3   PRO   75 - QG    ARG   74  far    0    85   0   -  4.5-4.8
      HD2   ARG   44 - QG    ARG   74  far    0    93   0   -  9.9-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2657 from c13no.peaks (2.32, 1.59, 27.31 ppm; 4.86 A):
    0 out of 7 assignments used, quality = 0.00:
      HG2   GLU   41 + HG    LEU   45  far    3    57   5   -  4.2-8.5
      QG    GLU  125 + QG    ARG  374  far    0    83   0   -  6.0-19.0
      QB    GLN  107 + HG    LEU  345  far    0    35   0   -  6.9-37.3
      HG2   GLU   41 + QG    ARG   74  far    0    99   0   -  8.3-10.9
      QG    GLU  125 + HG    LEU  345  far    0    43   0   -  9.3-37.5
      HB2   PRO  126 + QG    ARG  374  far    0    96   0   -  9.4-37.6
      HB2   LEU   87 + QG    ARG   74  far    0   100   0   -  9.8-10.5
    Violated in 18 structures by 1.94 A.
 
    Peak 2658 from c13no.peaks (2.31, 3.19, 44.13 ppm; 4.50 A):
    0 out of 3 assignments used, quality = 0.00:
      QG    GLU  125 + QD    ARG  374  far    0    97   0   -  4.7-18.5
      HB2   PRO  126 + QD    ARG  374  far    0   100   0   -  7.7-37.0
      HG2   GLU   41 + QD    ARG   74  far    0   100   0   -  7.8-11.9
    Violated in 20 structures by 4.41 A.
 
    Peak 2659 from c13no.peaks (1.59, 3.19, 44.13 ppm; 2.88 A):
    1 out of 4 assignments used, quality = 1.00:
      QG    ARG   74 + QD    ARG   74  OK   100   100 100 100  2.0-2.1   2.1=100
      QB    ALA   43 - QD    ARG   74  far    0    78   0   -  5.1-6.4
      QG    ARG   66 - QD    ARG   74  far    0   100   0   - 10.0-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2660 from c13no.peaks (1.80, 1.59, 27.31 ppm; 2.89 A):
    1 out of 7 assignments used, quality = 1.00:
      HB3   ARG   74 + QG    ARG   74  OK   100   100 100 100  2.1-2.5   2.5=100
      HB3   GLU   41 - HG    LEU   45  far    0    58   0   -  4.1-7.5
      QB    ARG   48 - HG    LEU   45  far    0    44   0   -  4.3-6.5
      QE    MET   83 - QG    ARG   74  far    0    63   0   -  4.8-5.5
      HG    LEU   84 - QG    ARG   74  far    0    89   0   -  7.3-8.8
      HG    LEU   87 - QG    ARG   74  far    0    99   0   -  8.5-9.3
      HB3   GLU   41 - QG    ARG   74  far    0    99   0   -  9.3-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2661 from c13no.peaks (1.92, 1.59, 27.31 ppm; 3.07 A):
    1 out of 5 assignments used, quality = 1.00:
      HB2   ARG   74 + QG    ARG   74  OK   100   100 100 100  2.1-2.5   2.5=100
      QB    ARG   46 - HG    LEU   45  poor  15    60  25   -  2.8-6.7
      HB3   GLU  125 - QG    ARG  374  far    0    95   0   -  9.0-34.5
      QB    ARG   46 - QG    ARG   74  far    0   100   0   -  9.7-10.6
      HB3   ARG  103 - HG    LEU  345  far    0    58   0   -  9.9-49.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2662 from c13no.peaks (3.20, 1.80, 29.25 ppm; 3.71 A):
    1 out of 6 assignments used, quality = 0.99:
      QD    ARG   74 + HB3   ARG   74  OK    99    99 100 100  2.0-3.3   3.2=100
      HD3   PRO   75 - HB3   ARG   74  far    0    73   0   -  4.5-4.9
      HD2   ARG   44 - HB3   GLU   41  far    0    74   0   -  4.7-6.6
      HD2   ARG   70 - HB3   ARG   74  far    0    68   0   -  5.6-7.7
      QD    ARG   74 - HB3   GLU   41  far    0    91   0   -  8.1-11.7
      QD    ARG  124 - HB3   GLU  341  far    0    74   0   -  9.6-36.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2663 from c13no.peaks (3.21, 1.92, 29.25 ppm; 3.88 A):
    1 out of 6 assignments used, quality = 0.96:
      QD    ARG   74 + HB2   ARG   74  OK    96    96 100 100  2.0-3.2   3.2=100
      HA    LEU   73 - HB2   ARG   74  far    0    63   0   -  4.3-4.7
      HD3   PRO   75 - HB2   ARG   74  far    0    60   0   -  5.1-5.1
      HD2   ARG   70 - HB2   ARG   74  far    0    81   0   -  6.7-8.3
      HD3   PRO   75 - HB3   GLU   81  far    0    46   0   -  9.0-10.6
      HD2   ARG   70 - HB3   GLU   81  far    0    63   0   - 10.0-13.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2664 from c13no.peaks (1.59, 1.92, 29.25 ppm; 3.17 A):
    1 out of 5 assignments used, quality = 1.00:
      QG    ARG   74 + HB2   ARG   74  OK   100   100 100 100  2.1-2.5   2.5=100
      QG    ARG   66 - HB3   GLU   81  far    0    85   0   -  6.8-9.7
      QB    ALA   43 - HB2   ARG   74  far    0    78   0   -  7.4-8.3
      QG    ARG   66 - HB3   GLU  113  far    0    75   0   -  8.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2665 from c13no.peaks (1.59, 1.80, 29.25 ppm; 3.02 A):
    1 out of 8 assignments used, quality = 1.00:
      QG    ARG   74 + HB3   ARG   74  OK   100   100 100 100  2.1-2.5   2.5=100
      HG    LEU   45 - HB3   GLU   41  far    0    54   0   -  4.1-7.5
      HB3   LEU  122 - HB3   GLU  341  far    0    76   0   -  4.5-47.9
      QB    ALA   43 - HB3   GLU   41  far    0    68   0   -  6.3-6.9
      QB    ALA   43 - HB3   ARG   74  far    0    78   0   -  7.7-8.6
      QG    ARG   74 - HB3   GLU   41  far    0    93   0   -  9.3-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2666 from c13no.peaks (1.92, 1.80, 29.25 ppm; 2.71 A):
    1 out of 7 assignments used, quality = 1.00:
      HB2   ARG   74 + HB3   ARG   74  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   GLU  125 - HB3   GLU  341  far    0    85   0   -  3.2-50.0
      HG    LEU  122 - HB3   GLU  341  far    0    86   0   -  6.3-47.7
      QB    ARG   46 - HB3   GLU   41  far    0    93   0   -  7.7-9.2
      HB2   ARG  124 - HB3   GLU  341  far    0    61   0   -  8.4-51.3
      HB3   ARG  103 - HB3   GLU  341  far    0    91   0   -  8.5-46.2
      HG    LEU  118 - HB3   GLU  341  far    0    86   0   -  9.9-51.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2667 from c13no.peaks (1.80, 1.92, 29.25 ppm; 2.76 A):
    1 out of 9 assignments used, quality = 1.00:
      HB3   ARG   74 + HB2   ARG   74  OK   100   100 100 100  1.8-1.8   1.8=100
      QE    MET   83 - HB2   ARG   74  far    0    63   0   -  4.2-4.7
      HG3   PRO  112 - HB3   GLU  113  far    0    56   0   -  5.0-5.2
      HG    LEU   84 - HB3   GLU   81  far    0    71   0   -  6.0-8.3
      HG3   PRO  112 - HB3   GLU   81  far    0    65   0   -  6.2-8.4
      QE    MET   83 - HB3   GLU   81  far    0    48   0   -  7.3-8.2
      HG    LEU   86 - HB3   GLU   81  far    0    85   0   -  7.8-11.9
      HG    LEU   84 - HB2   ARG   74  far    0    89   0   -  9.2-9.9
      HG    LEU   87 - HB2   ARG   74  far    0    99   0   -  9.8-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2668 from c13no.peaks (7.54, 3.19, 44.13 ppm; 5.33 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2669 from c13no.peaks (8.01, 3.19, 44.13 ppm; 5.50 A increased from 5.03 A):
    1 out of 2 assignments used, quality = 0.81:
      H     LEU   73 + QD    ARG   74  OK    81    89  93  99  4.2-5.6   289/5.2=62, 5.8/2653=52, 7.1=46, 2703/6.2=34...(9)
      H     ARG   78 - QD    ARG   74  far    0    87   0   -  8.2-9.0
    Violated in 7 structures by 0.02 A.
 
    Peak 2670 from c13no.peaks (8.06, 4.13, 55.78 ppm; 3.80 A):
    0 out of 1 assignment used, quality = 0.00:
      H     LEU   84 + HA    ARG   74  far    0    98   0   -  7.2-8.4
    Violated in 20 structures by 4.32 A.
 
    Peak 2671 from c13no.peaks (7.36, 4.13, 55.78 ppm; 5.35 A increased from 4.76 A):
    1 out of 3 assignments used, quality = 0.91:
      H     TRP   72 + HA    ARG   74  OK    91    93 100  98  4.7-5.2   291/3.0=83, 234/6.4=43, 315/5.8=41, 283/6.6=28...(7)
      H     GLU   67 - HA    ARG   74  far    0    63   0   -  9.7-10.7
      HZ2   TRP   72 - HA    ARG   74  far    0   100   0   -  9.9-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2672 from c13no.peaks (8.04, 1.80, 29.25 ppm; 3.79 A):
    0 out of 2 assignments used, quality = 0.00:
      H     ARG   78 + HB3   ARG   74  far    0    97   0   -  7.1-7.6
      H     LEU   84 + HB3   ARG   74  far    0    97   0   -  9.4-10.5
    Violated in 20 structures by 3.36 A.
 
    Peak 2673 from c13no.peaks (8.03, 1.59, 27.31 ppm; 4.18 A):
    0 out of 3 assignments used, quality = 0.00:
      H     CYS   49 + HG    LEU   45  far    0    60   0   -  5.2-7.6
      H     ARG   78 + QG    ARG   74  far    0   100   0   -  8.1-8.4
      H     LEU   84 + QG    ARG   74  far    0    83   0   -  8.7-9.4
    Violated in 20 structures by 2.05 A.
 
    Peak 2674 from c13no.peaks (7.48, 1.59, 27.31 ppm; 5.12 A):
    0 out of 2 assignments used, quality = 0.00:
      HE21  GLN  107 + HG    LEU  345  far    0    58   0   -  7.8-52.5
      H     GLN  107 + HG    LEU  345  far    0    46   0   -  9.1-51.7
    Violated in 20 structures by 83.91 A.
 
    Peak 2675 from c13no.peaks (3.18, 4.00, 51.25 ppm; 3.53 A):
    1 out of 3 assignments used, quality = 0.99:
      HD3   PRO   75 + HD2   PRO   75  OK    99    99 100 100  1.8-1.8   1.8=100
      HD3   ARG   70 - HD2   PRO   75  far   10    83  13   -  2.5-4.0
      QD    ARG   74 - HD2   PRO   75  far    0    97   0   -  4.0-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2676 from c13no.peaks (1.54, 4.35, 64.12 ppm; 4.44 A):
    1 out of 3 assignments used, quality = 0.84:
      HB3   ARG   78 + HA    PRO   75  OK    84    96 100  88  3.5-4.1   4.0/2714=55, 1645/1643=48, 1729/2694=33, 1019/6.9=23
      HG3   ARG   70 - HA    PRO   75  far    0    96   0   -  6.6-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2677 from c13no.peaks (1.82, 3.18, 51.25 ppm; 3.73 A):
    0 out of 4 assignments used, quality = 0.00:
      HG    LEU   84 + HD3   PRO   75  far    0   100   0   -  4.1-5.6
      HB3   ARG   74 + HD3   PRO   75  far    0    76   0   -  4.5-4.9
      HG    LEU   87 + HD3   PRO   75  far    0    96   0   -  7.5-9.3
      HG    LEU   86 + HD3   PRO   75  far    0    92   0   -  8.8-12.2
    Violated in 20 structures by 0.67 A.
 
    Peak 2678 from c13no.peaks (1.53, 3.18, 51.25 ppm; 4.30 A):
    2 out of 4 assignments used, quality = 0.98:
      HG3   ARG   70 + HD3   PRO   75  OK    97   100  98  99  3.4-4.2   2682/1.8=78, 3.8/1188=55, 1.8/2585=45, 2580/2.2=37...(8)
     ?HB3   LEU   73 + HD3   PRO   75  OK    46    58  90  88  3.3-5.9   997/2704=82, 213/1188=23, 1645/1641=13
      HB3   ARG   78 - HD3   PRO   75  far    0   100   0   -  6.5-7.0
      HB3   LEU   68 - HD3   PRO   75  far    0    90   0   -  9.9-10.8
    Violated in 1 structures by 0.01 A.
 
    Peak 2679 from c13no.peaks (1.27, 3.18, 51.25 ppm; 4.80 A):
    2 out of 2 assignments used, quality = 0.96:
      HB2   LEU   73 + HD3   PRO   75  OK    87    95  95  97  4.0-4.8   1.8/2681=73, 4.6/2704=56, 3.8/2703=49, 7.5=26...(6)
     ?HB3   LEU   73 + HD3   PRO   75  OK    72    91  90  89  3.3-5.9   998/2704=39, 752/2703=33, 1905/2688=28, 239/6.9=22...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2680 from c13no.peaks (0.74, 3.18, 51.25 ppm; 3.96 A):
    2 out of 3 assignments used, quality = 0.99:
      QD1   LEU   84 + HD3   PRO   75  OK    99   100 100  99  2.0-3.0   3006/1.8=61, 2697/2.9=59, 2996/2688=53, 3007/3.6=38...(12)
     ?HB3   LEU   73 + HD3   PRO   75  OK    43    95  88  51  3.3-5.9   1003/2704=33, 1636/1641=10, 1932/7.9=9, 1918/7.9=6
      QD1   LEU   87 - HD3   PRO   75  far    0   100   0   -  5.3-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2681 from c13no.peaks (0.93, 3.18, 51.25 ppm; 5.08 A):
    1 out of 2 assignments used, quality = 0.88:
     ?HB3   LEU   73 + HD3   PRO   75  OK    88   100  90  98  3.3-5.9   999/2704=86, 753/2703=39, 1904/2688=27, 1899/6.9=19...(10)
      QG1   VAL   88 - HD3   PRO   75  far    0    68   0   -  9.3-10.2
    Violated in 2 structures by 0.08 A.
 
    Peak 2682 from c13no.peaks (1.53, 4.00, 51.25 ppm; 4.25 A):
    1 out of 3 assignments used, quality = 1.00:
      HG3   ARG   70 + HD2   PRO   75  OK   100   100 100 100  2.7-4.1   2594=81, 3.8/2687=53, 2678/1.8=51, 2572/3006=40...(10)
      HB3   ARG   78 - HD2   PRO   75  far    0   100   0   -  7.4-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2683 from c13no.peaks (0.75, 4.00, 51.25 ppm; 4.67 A increased from 4.15 A):
    1 out of 3 assignments used, quality = 0.91:
      QD1   LEU   84 + HD2   PRO   75  OK    91    93  98 100  3.3-4.5   3006=93, 2697/2.9=77, 2996/2687=64, 2680/1.8=62...(11)
      QD1   LEU   87 - HD2   PRO   75  far    0    93   0   -  6.7-8.1
    Violated in 1 structures by 0.01 A.
 
    Peak 2684 from c13no.peaks (1.82, 4.00, 51.25 ppm; 4.07 A increased from 3.83 A):
    1 out of 3 assignments used, quality = 0.68:
      HB3   ARG   74 + HD2   PRO   75  OK    68    76 100  90  3.4-4.0   4.5=74, 4.0/313=52, 1012/310=19
      HG    LEU   84 - HD2   PRO   75  far    0   100   0   -  5.1-7.0
      HG    LEU   87 - HD2   PRO   75  far    0    96   0   -  9.2-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2685 from c13no.peaks (2.00, 4.00, 51.25 ppm; 3.60 A):
    1 out of 4 assignments used, quality = 0.98:
      QG    PRO   75 + HD2   PRO   75  OK    98    98 100 100  2.2-2.2   2.2=100
      QB    ARG   70 - HD2   PRO   75  far    4    89   5   -  3.3-4.7
      QB    GLU   76 - HD2   PRO   75  far    0   100   0   -  5.1-5.4
      QB    GLN   82 - HD2   PRO   75  far    0   100   0   -  8.7-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2686 from c13no.peaks (2.09, 4.00, 51.25 ppm; 3.78 A):
    1 out of 3 assignments used, quality = 1.00:
      QB    PRO   75 + HD2   PRO   75  OK   100   100 100 100  3.5-3.5   2.9=100
      QB    GLU   67 - HD2   PRO   75  far    0    60   0   -  8.0-9.3
      HG3   PRO   40 - HD2   PRO   75  far    0    87   0   -  9.4-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2687 from c13no.peaks (3.62, 4.00, 51.25 ppm; 4.19 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   70 + HD2   PRO   75  OK    99   100 100 100  3.2-4.3   1188/1.8=85, 314/313=56, 2996/3006=52, 3.8/2682=51...(11)
    Violated in 3 structures by 0.01 A.
 
    Peak 2688 from c13no.peaks (3.62, 3.18, 51.25 ppm; 4.12 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   70 + HD3   PRO   75  OK    99    99 100 100  2.1-3.1   1188=92, 2687/1.8=74, 314/2704=49, 2996/2680=42...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2689 from c13no.peaks (4.00, 3.18, 51.25 ppm; 3.47 A):
    1 out of 3 assignments used, quality = 1.00:
      HD2   PRO   75 + HD3   PRO   75  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    GLN   71 - HD3   PRO   75  far    0    76   0   -  5.6-6.2
      HB3   SER   79 - HD3   PRO   75  far    0   100   0   -  8.0-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2690 from c13no.peaks (4.31, 3.18, 51.25 ppm; 3.86 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2691 from c13no.peaks (4.31, 4.00, 51.25 ppm; 3.74 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2692 from c13no.peaks (1.87, 4.35, 64.12 ppm; 3.45 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   LYS   80 + HA    PRO   75  far    0   100   0   -  4.7-6.0
      QB    ARG   66 + HA    PRO   75  far    0    99   0   -  9.4-10.4
    Violated in 20 structures by 2.07 A.
 
    Peak 2693 from c13no.peaks (1.81, 4.35, 64.12 ppm; 3.52 A):
    0 out of 4 assignments used, quality = 0.00:
      HB3   ARG   74 + HA    PRO   75  far    0    99   0   -  5.1-5.4
      HG    LEU   84 + HA    PRO   75  far    0    95   0   -  5.9-8.2
      HG    LEU   86 + HA    PRO   75  far    0   100   0   -  8.6-11.7
      HG    LEU   87 + HA    PRO   75  far    0   100   0   -  9.0-10.6
    Violated in 20 structures by 1.63 A.
 
    Peak 2694 from c13no.peaks (0.90, 4.35, 64.12 ppm; 4.45 A increased from 3.96 A):
    1 out of 4 assignments used, quality = 0.89:
      QG2   VAL   77 + HA    PRO   75  OK    89    95 100  94  3.5-4.4   1738/2714=58, 1741/3.6=53, 1729/2676=34, 1737/6.9=25...(7)
      QG1   VAL   77 - HA    PRO   75  far    0   100   0   -  5.5-6.4
      QD2   LEU   86 - HA    PRO   75  far    0    98   0   -  8.9-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2695 from c13no.peaks (0.75, 4.35, 64.12 ppm; 5.03 A increased from 4.48 A):
    1 out of 3 assignments used, quality = 0.98:
      QD1   LEU   84 + HA    PRO   75  OK    98    98 100 100  4.2-4.9   3007=97, 2697/2.2=93, 3006/3.6=68, 1636/1643=60...(9)
     ?HB3   LEU   73 - HA    PRO   75  far    2    96   3   -  5.1-6.5
      QD1   LEU   87 - HA    PRO   75  far    0    98   0   -  6.7-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2696 from c13no.peaks (1.87, 2.09, 32.40 ppm; 3.63 A increased from 3.06 A):
    1 out of 2 assignments used, quality = 0.72:
      HB2   LYS   80 + QB    PRO   75  OK    72   100 100  72  2.5-3.5   289/2879=33, 2860/2697=31, 4.8/2873=24, 2868/2874=20
      QB    ARG   66 - QB    PRO   75  far    0    99   0   -  7.0-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2697 from c13no.peaks (0.75, 2.09, 32.40 ppm; 4.03 A):
    1 out of 3 assignments used, quality = 0.95:
      QD1   LEU   84 + QB    PRO   75  OK    95    98 100  96  2.8-3.6   3006/2.9=52, 3007/2.2=49, 2680/2.9=43, 2860/2696=42...(9)
      QD1   LEU   87 - QB    PRO   75  far    0    98   0   -  5.6-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2698 from c13no.peaks (4.35, 1.99, 27.63 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   75 + QG    PRO   75  OK   100   100 100 100  3.5-3.5   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2699 from c13no.peaks (4.00, 1.99, 27.63 ppm; 3.94 A):
    1 out of 8 assignments used, quality = 1.00:
      HD2   PRO   75 + QG    PRO   75  OK   100   100 100 100  2.2-2.2   2.2=100
      HA    PRO  112 - HG    LEU   93  far   13    73  18   -  3.7-7.5
      HA    GLN  105 - HG    LEU   93  far    0    58   0   -  5.5-8.1
      HA    PHE   92 - HG    LEU   93  far    0    94   0   -  5.6-7.4
      HB3   SER   79 - QG    PRO   75  far    0   100   0   -  6.0-7.1
      HA    GLN   71 - QG    PRO   75  far    0    76   0   -  6.3-7.0
      HB3   SER  111 - HG    LEU   93  far    0    95   0   -  7.8-10.6
      HA    ILE  100 - HG    LEU   93  far    0    94   0   -  8.3-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2701 from c13no.peaks (3.19, 2.09, 32.40 ppm; 4.73 A):
    1 out of 3 assignments used, quality = 0.97:
      HD3   PRO   75 + QB    PRO   75  OK    97    97 100 100  2.9-2.9   2.9=100
      HD3   ARG   70 - QB    PRO   75  far    0    71   0   -  4.8-6.8
      QD    ARG   74 - QB    PRO   75  far    0    99   0   -  6.4-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2702 from c13no.peaks (3.18, 1.99, 27.63 ppm; 4.25 A):
    1 out of 3 assignments used, quality = 0.99:
      HD3   PRO   75 + QG    PRO   75  OK    99    99 100 100  2.2-2.2   2.2=100
      HD3   ARG   70 - QG    PRO   75  far    4    83   5   -  2.9-5.0
      QD    ARG   74 - QG    PRO   75  far    0    97   0   -  5.3-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2703 from c13no.peaks (7.99, 3.18, 51.25 ppm; 5.36 A increased from 5.05 A):
    1 out of 1 assignment used, quality = 0.97:
      H     LEU   73 + HD3   PRO   75  OK    97   100  98 100  4.9-5.2   290/2704=82, 319/1188=68, 3.8/2681=65, 3.8/2679=38...(10)
    Violated in 1 structures by 0.01 A.
 
    Peak 2704 from c13no.peaks (8.35, 3.18, 51.25 ppm; 4.10 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   74 + HD3   PRO   75  OK   100   100 100 100  2.8-3.2   313/1.8=84, 994=68, 314/1188=50, 290/2703=37...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2705 from c13no.peaks (9.82, 3.18, 51.25 ppm; 5.35 A):
    1 out of 1 assignment used, quality = 0.97:
      H     GLU   76 + HD3   PRO   75  OK    97    97 100 100  4.8-5.0   310/1.8=90, 5.6=88, 2719/2.2=86, 1012/4.5=42...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2706 from c13no.peaks (8.35, 4.00, 51.25 ppm; 4.10 A):
    1 out of 1 assignment used, quality = 0.95:
      H     ARG   74 + HD2   PRO   75  OK    95   100  95 100  3.4-3.7   313=100, 994/1.8=89, 4.0/2684=49, 314/2687=49...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2707 from c13no.peaks (7.99, 4.00, 51.25 ppm; 4.79 A):
    0 out of 1 assignment used, quality = 0.00:
      H     LEU   73 + HD2   PRO   75  far    0   100   0   -  5.9-6.2
    Violated in 20 structures by 1.31 A.
 
    Peak 2714 from c13no.peaks (8.05, 4.35, 64.12 ppm; 4.14 A):
    1 out of 2 assignments used, quality = 0.78:
      H     ARG   78 + HA    PRO   75  OK    78    83 100  95  3.0-3.1   1738/2694=47, 296/3.6=46, 4.0/2676=45, 1647/1643=27...(8)
      H     LEU   84 - HA    PRO   75  far    0   100   0   -  5.7-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2715 from c13no.peaks (7.90, 4.35, 64.12 ppm; 5.12 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2716 from c13no.peaks (8.38, 4.35, 64.12 ppm; 4.57 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2717 from c13no.peaks (9.82, 4.35, 64.12 ppm; 4.55 A):
    1 out of 1 assignment used, quality = 0.97:
      H     GLU   76 + HA    PRO   75  OK    97    97 100 100  2.5-2.7   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2718 from c13no.peaks (8.14, 1.99, 27.63 ppm; 4.65 A increased from 3.72 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   93 + HG    LEU   93  OK    97    97 100 100  2.5-4.6   767/2.1=92, 3300/2.1=84, 765/3.0=82, 3.0/389=77...(18)
      H     LEU   62 - HG    LEU   93  far    0    85   0   -  9.5-12.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2719 from c13no.peaks (9.82, 1.99, 27.63 ppm; 4.74 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLU   76 + QG    PRO   75  OK    99   100 100 100  4.4-4.5   4.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2720 from c13no.peaks (0.89, 1.17, 28.28 ppm; 2.84 A):
    1 out of 6 assignments used, quality = 0.99:
      QD1   ILE  100 + HG13  ILE  100  OK    99    99 100 100  2.1-2.1   2.1=100
      QD2   LEU  122 - HG13  ILE  100  far    2    85   3   -  2.9-3.8
      QG2   ILE  100 - HG13  ILE  100  far    0    95   0   -  3.0-3.1
      QD1   LEU  122 - HG13  ILE  100  far    0    87   0   -  4.1-5.2
      QQG   VAL  104 - HG13  ILE  100  far    0    92   0   -  5.5-6.1
      QD2   LEU  118 - HG13  ILE  100  far    0    63   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2722 from c13no.peaks (1.57, 0.88, 12.75 ppm; 2.82 A):
    1 out of 2 assignments used, quality = 1.00:
      HG12  ILE  100 + QD1   ILE  100  OK   100   100 100 100  2.1-2.1   2.1=100
      HB3   LEU  122 - QD1   ILE  100  far    0    99   0   -  4.4-4.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2723 from c13no.peaks (1.17, 0.88, 12.75 ppm; 2.85 A):
    1 out of 1 assignment used, quality = 0.99:
      HG13  ILE  100 + QD1   ILE  100  OK    99    99 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2724 from c13no.peaks (0.76, 0.88, 12.75 ppm; 2.57 A):
    0 out of 2 assignments used, quality = 0.00:
      QD1   LEU   65 + QD1   ILE  100  far    0    98   0   -  8.9-9.7
      QD2   LEU   89 + QD1   ILE  100  far    0    71   0   -  9.0-9.6
    Violated in 20 structures by 5.81 A.
 
    Peak 2725 from c13no.peaks (2.06, 0.88, 12.75 ppm; 3.24 A):
    0 out of 8 assignments used, quality = 0.00:
      QB    GLU   99 + QD1   ILE  100  far    0    85   0   -  4.2-4.8
      HB3   PRO   58 + QD1   ILE  100  far    0    97   0   -  5.4-6.2
      HB2   GLU  125 + QD1   ILE  100  far    0    99   0   -  5.9-10.2
      HG3   GLN  101 + QD1   ILE  100  far    0    96   0   -  6.3-7.2
      HB2   GLN  101 + QD1   ILE  100  far    0    99   0   -  6.5-6.7
      QG    PRO  126 + QD1   ILE  100  far    0   100   0   -  7.6-11.0
      QB    GLN  105 + QD1   ILE  100  far    0    57   0   -  8.1-8.6
      HB2   GLU   41 + QD1   ILE  400  far    0    95   0   -  8.7-21.3
    Violated in 20 structures by 1.03 A.
 
    Peak 2726 from c13no.peaks (2.29, 0.88, 12.75 ppm; 3.82 A increased from 3.39 A):
    2 out of 6 assignments used, quality = 0.91:
      HG2   PRO   97 + QD1   ILE  100  OK    88    97  90 100  3.6-3.9   3386/2.1=63, 2.3/2728=58, 1748/3472=41, ~3375=35...(23)
      HB    VAL  119 + QD1   ILE  100  OK    30    73  50  82  2.6-4.8   3.0/2730=47, ~1610=35, ~3953=34, ~3946=10...(6)
      QG    GLU  125 - QD1   ILE  100  far    0    97   0   -  5.3-9.6
      QB    GLN  107 - QD1   ILE  100  far    0   100   0   -  7.6-9.0
      HB2   PRO  126 - QD1   ILE  100  far    0    87   0   -  8.5-13.4
      HG2   GLU   41 - QD1   ILE  400  far    0    78   0   -  9.3-20.5
    Violated in 1 structures by 0.00 A.
 
    Peak 2727 from c13no.peaks (2.59, 0.88, 12.75 ppm; 5.50 A increased from 4.48 A):
    1 out of 1 assignment used, quality = 0.97:
      HB2   PRO   97 + QD1   ILE  100  OK    97    97 100 100  5.3-5.4   3.0/2728=89, 3395/2.1=89, 3393/3.2=83, 246/3488=75...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 2728 from c13no.peaks (3.24, 0.88, 12.75 ppm; 4.23 A increased from 3.39 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   PRO   97 + QD1   ILE  100  OK   100   100 100 100  3.8-4.1   1614/3.0=66, 3327/3472=59, 3378/3.2=59, 2.3/2726=58...(22)
      QD    ARG  124 - QD1   ILE  100  far    0    89   0   -  5.0-9.0
      QD    ARG  103 - QD1   ILE  100  far    0    99   0   -  5.2-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2729 from c13no.peaks (3.32, 0.88, 12.75 ppm; 4.06 A increased from 3.82 A):
    1 out of 1 assignment used, quality = 0.98:
      QD    ARG  123 + QD1   ILE  100  OK    98   100 100  98  2.8-3.9   4026=87, 4.2/3484=40, 2.2/4039=39, 4040/237=35...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 2730 from c13no.peaks (3.50, 0.88, 12.75 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 0.84:
      HA    VAL  119 + QD1   ILE  100  OK    84    92 100  91  2.6-3.5   3948/3472=40, ~3953=37, ~1610=34, 3946/3.0=33...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 2731 from c13no.peaks (3.82, 0.88, 12.75 ppm; 3.64 A):
    0 out of 8 assignments used, quality = 0.00:
      HD2   PRO   97 + QD1   ILE  100  far    0   100   0   -  4.7-4.9
      HA    GLU   54 + QD1   ILE  100  far    0    92   0   -  5.0-6.4
      HA    VAL  104 + QD1   ILE  100  far    0    85   0   -  6.1-6.9
      QA    GLY  128 + QD1   ILE  100  far    0    78   0   -  6.5-14.7
      HD2   PRO  126 + QD1   ILE  100  far    0    99   0   -  7.2-11.1
      HD3   PRO   58 + QD1   ILE  100  far    0   100   0   -  7.3-7.8
      HD3   PRO   98 + QD1   ILE  100  far    0    85   0   -  7.9-8.1
      HA2   GLY   94 + QD1   ILE  100  far    0    63   0   -  9.6-10.3
    Violated in 20 structures by 0.86 A.
 
    Peak 2732 from c13no.peaks (4.02, 0.88, 12.75 ppm; 3.49 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    ILE  100 + QD1   ILE  100  OK    99    99 100 100  2.3-2.6   424/2.1=60, 4.2=60, 1617/3.0=58, 3482/2.1=56...(17)
      HA    PHE   92 - QD1   ILE  100  far    0    68   0   -  9.1-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2734 from c13no.peaks (4.02, 1.17, 28.28 ppm; 3.81 A):
    1 out of 1 assignment used, quality = 0.93:
      HA    ILE  100 + HG13  ILE  100  OK    93    93 100 100  2.4-2.8   424=93, 2732/2.1=76, 3482/1.8=72, 1617/3.2=65...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 2736 from c13no.peaks (9.83, 4.19, 58.83 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   76 + HA    GLU   76  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2737 from c13no.peaks (9.83, 2.39, 36.37 ppm; 4.62 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   76 + HG2   GLU   76  OK   100   100 100 100  2.0-4.2   1005=97, 1010/2.5=92, 3.0/2744=80, 1011/1.8=80...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2738 from c13no.peaks (9.83, 1.99, 28.30 ppm; 4.18 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   76 + QB    GLU   76  OK   100   100 100 100  2.1-2.7   3.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2740 from c13no.peaks (2.28, 2.28, 36.37 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   GLU   76 + HG3   GLU   76  OK   100   100   - 100
      QG    GLU  125 + QG    GLU  125  OK    62    62   - 100
 
    Peak 2741 from c13no.peaks (9.83, 2.28, 36.37 ppm; 4.65 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   76 + HG3   GLU   76  OK   100   100 100 100  1.9-4.6   1011=99, 1010/2.5=93, 1005/1.8=90, 294/2755=61...(11)
      H     GLU   76 - QG    GLU  425  far    0    81   0   -  9.7-36.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2743 from c13no.peaks (2.29, 4.19, 58.83 ppm; 4.04 A increased from 3.40 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   GLU   76 + HA    GLU   76  OK   100   100 100 100  2.8-4.0   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2744 from c13no.peaks (2.39, 4.19, 58.83 ppm; 3.71 A increased from 3.50 A):
    1 out of 1 assignment used, quality = 0.98:
      HG2   GLU   76 + HA    GLU   76  OK    98    99 100  99  3.4-3.7   3.9=89, 1005/3.0=45, ~1011=29, ~1010=29...(9)
    Violated in 1 structures by 0.00 A.
 
    Peak 2745 from c13no.peaks (2.29, 1.99, 28.30 ppm; 3.28 A):
    1 out of 4 assignments used, quality = 1.00:
      HG3   GLU   76 + QB    GLU   76  OK   100   100 100 100  2.2-2.4   2.5=100
      QG    GLU  125 - QB    GLU  376  far    0    90   0   -  9.0-19.7
      HB2   PRO  126 - QB    GLU  376  far    0    73   0   -  9.0-38.1
      HG2   PRO   40 - QB    GLU   76  far    0    81   0   -  9.6-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2746 from c13no.peaks (2.39, 1.99, 28.30 ppm; 3.47 A):
    1 out of 1 assignment used, quality = 0.99:
      HG2   GLU   76 + QB    GLU   76  OK    99    99 100 100  2.3-2.4   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2747 from c13no.peaks (4.20, 2.28, 36.37 ppm; 4.20 A increased from 3.96 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    GLU   76 + HG3   GLU   76  OK   100   100 100 100  2.8-4.0   3.9=100
      HA2   GLY   39 - QG    GLU  425  far    0    72   0   -  5.8-29.0
      HA3   GLY   57 - QG    GLU  125  far    0    76   0   -  7.1-15.9
      HA    LEU  118 - QG    GLU  125  far    0    81   0   -  7.3-13.6
      HA    ARG  103 - QG    GLU  125  far    0    71   0   -  8.0-16.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2748 from c13no.peaks (4.20, 2.39, 36.37 ppm; 3.86 A increased from 3.64 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLU   76 + HG2   GLU   76  OK   100   100 100 100  3.4-3.7   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2749 from c13no.peaks (2.39, 2.28, 36.37 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 0.99:
      HG2   GLU   76 + HG3   GLU   76  OK    99    99 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2750 from c13no.peaks (2.29, 2.39, 36.37 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   GLU   76 + HG2   GLU   76  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   PRO  126 - HG2   GLU  376  far    0    73   0   -  9.7-54.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2753 from c13no.peaks (0.89, 2.28, 36.37 ppm; 3.58 A):
    2 out of 12 assignments used, quality = 0.55:
      QG2   VAL   77 + HG3   GLU   76  OK    43   100  48  91  2.7-5.6   ~2779=42, 1737/2755=36, 1741/1011=28, ~2754=26...(9)
      QG1   VAL   77 + HG3   GLU   76  OK    21    93  25  90  2.0-4.9   2779/1.8=65, 4.0/2755=30, 2770/1011=20, ~2754=15...(7)
      QD2   LEU  122 - QG    GLU  125  far    2    60   3   -  3.0-9.1
      QD1   LEU  122 - QG    GLU  125  far    0    62   0   -  4.7-10.6
      QD1   ILE  100 - QG    GLU  125  far    0    78   0   -  5.3-9.6
      QG2   ILE  100 - QG    GLU  125  far    0    76   0   -  6.8-11.4
      QQG   VAL  104 - QG    GLU  125  far    0    68   0   -  8.3-13.2
      QG2   VAL   77 - QG    GLU  425  far    0    82   0   -  8.4-13.8
      QD2   LEU  118 - QG    GLU  125  far    0    50   0   -  8.9-13.8
      QG1   VAL   77 - QG    GLU  425  far    0    72   0   -  9.4-12.1
    Violated in 11 structures by 0.42 A.
 
    Peak 2754 from c13no.peaks (0.89, 2.39, 36.37 ppm; 3.77 A increased from 3.55 A):
    2 out of 3 assignments used, quality = 0.96:
      QG1   VAL   77 + HG2   GLU   76  OK    91    93 100  98  2.0-3.7   2779=79, ~2753=32, 4.0/1023=29, 2763/5.3=27...(9)
      QG2   VAL   77 + HG2   GLU   76  OK    51   100  53  98  2.4-4.4   2.1/2779=61, 2753/1.8=53, 1741/1005=34, 1737/5.3=33...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2755 from c13no.peaks (7.78, 2.28, 36.37 ppm; 4.74 A):
    1 out of 2 assignments used, quality = 1.00:
      H     VAL   77 + HG3   GLU   76  OK   100   100 100 100  2.5-4.6   1015/1.8=90, 1017/2.5=89, 5.3=73, 294/1011=65...(8)
      H     ARG  123 - QG    GLU  125  far    6    62  10   -  3.8-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2756 from c13no.peaks (7.79, 1.99, 28.30 ppm; 4.70 A):
    1 out of 1 assignment used, quality = 0.97:
      H     VAL   77 + QB    GLU   76  OK    97    97 100 100  2.7-3.7   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2757 from c13no.peaks (7.79, 4.19, 58.83 ppm; 4.06 A):
    1 out of 1 assignment used, quality = 0.97:
      H     VAL   77 + HA    GLU   76  OK    97    97 100 100  3.4-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2759 from c13no.peaks (8.03, 2.19, 34.56 ppm; 3.88 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG   78 + HB    VAL   77  OK   100   100 100 100  3.6-3.7   1024=98, 1027/2.1=82, 295/1016=61, 2829/2775=31...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2760 from c13no.peaks (6.92, 0.90, 21.81 ppm; 4.98 A):
    1 out of 5 assignments used, quality = 0.97:
      QD    PHE   92 + QG1   VAL   88  OK    97   100  98 100  3.9-5.1   147/2262=84, 4.5/1169=58, 186/886=42, 3200/6.5=36...(10)
      HZ    PHE   92 - QG1   VAL   88  far    0    62   0   -  6.7-7.9
      HE22  GLN   59 - QG1   VAL   88  far    0    99   0   -  8.2-9.1
      H     LEU   96 - QG1   VAL   88  far    0    91   0   -  8.3-10.0
      H     PHE   50 - QG1   VAL   88  far    0    70   0   -  8.3-9.7
    Violated in 4 structures by 0.01 A.
 
    Peak 2761 from c13no.peaks (7.22, 0.90, 21.81 ppm; 4.75 A):
    0 out of 1 assignment used, quality = 0.00:
      QD    PHE   47 + QG1   VAL   88  far    0    84   0   -  5.2-6.1
    Violated in 20 structures by 0.89 A.
 
    Peak 2762 from c13no.peaks (7.37, 0.90, 21.81 ppm; 4.50 A):
    1 out of 5 assignments used, quality = 0.99:
      QE    PHE   47 + QG1   VAL   88  OK    99    99 100 100  3.5-4.4   316/2.1=86, 95/3.2=70, ~294=58, 315/2364=52...(16)
      H     GLU   67 - QG1   VAL   88  far    0    93   0   -  5.5-6.4
      HH2   TRP   72 - QG1   VAL   88  far    0    73   0   -  8.0-8.9
      H     TRP   72 - QG1   VAL   88  far    0    62   0   -  9.7-10.0
      HZ2   TRP   72 - QG1   VAL   88  far    0    98   0   -  9.9-10.8
    Violated in 2 structures by 0.00 A.
 
    Peak 2763 from c13no.peaks (7.79, 0.90, 21.81 ppm; 3.98 A increased from 3.75 A):
    1 out of 3 assignments used, quality = 0.97:
      H     VAL   77 + QG1   VAL   77  OK    97    97 100 100  2.7-3.9   4.0=98, 1737/2.1=89, 3.0/672=77, 2774/2.1=74...(12)
      H     GLY   94 - QG1   VAL   88  far    0    88   0   -  6.7-7.4
      H     ALA   61 - QG1   VAL   88  far    0   100   0   -  7.0-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2764 from c13no.peaks (8.04, 0.90, 21.81 ppm; 4.19 A increased from 3.95 A):
    1 out of 3 assignments used, quality = 0.87:
      H     ARG   78 + QG1   VAL   77  OK    87    87 100 100  4.0-4.2   4.0=100
      H     LEU   84 - QG1   VAL   88  far    0   100   0   -  5.5-7.0
      H     CYS   49 - QG1   VAL   88  far    0    88   0   -  9.5-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2765 from c13no.peaks (8.53, 0.90, 21.81 ppm; 4.00 A):
    1 out of 4 assignments used, quality = 0.70:
      H     LEU   89 + QG1   VAL   88  OK    70    70 100 100  1.9-3.7   4.3=79, 3163/2.1=65, 3159/2.1=62, 365/3.9=46...(15)
      H     LEU   68 - QG1   VAL   88  far    0    82   0   -  6.1-7.2
      H     ALA  116 - QG1   VAL   88  far    0    65   0   -  6.4-7.1
      H     SER   79 - QG1   VAL   77  far    0    99   0   -  6.5-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2766 from c13no.peaks (8.53, 0.88, 20.20 ppm; 5.50 A increased from 5.44 A):
    1 out of 1 assignment used, quality = 0.99:
      H     SER   79 + QG2   VAL   77  OK    99    99 100 100  5.1-5.6   1036=94, 1035/1729=87, 4.6/1027=80, 5.3/1730=68...(11)
    Violated in 10 structures by 0.03 A.
 
    Peak 2767 from c13no.peaks (8.66, 0.90, 21.81 ppm; 4.26 A increased from 4.01 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ARG   66 + QG1   VAL   88  OK    97    97 100 100  3.2-4.2   945=86, 944/2.1=80, 941/2426=66, 3.0/2430=61...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 2768 from c13no.peaks (8.97, 0.90, 21.81 ppm; 3.95 A increased from 3.71 A):
    1 out of 1 assignment used, quality = 0.97:
      H     VAL   88 + QG1   VAL   88  OK    97    97 100 100  2.7-3.8   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2769 from c13no.peaks (9.15, 0.90, 21.81 ppm; 4.82 A):
    1 out of 1 assignment used, quality = 1.00:
      H     PHE   92 + QG1   VAL   88  OK   100   100 100 100  3.4-4.4   1169=99, 1172/2262=62, 1165/2.1=62, 413/1159=57...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 2770 from c13no.peaks (9.83, 0.90, 21.81 ppm; 5.50 A increased from 4.82 A):
    1 out of 1 assignment used, quality = 0.62:
      H     GLU   76 + QG1   VAL   77  OK    62   100  63 100  4.3-5.6   1741/2.1=95, 294/4.0=89, 1005/2779=81, 296/4.0=79...(9)
    Violated in 8 structures by 0.05 A.
 
    Peak 2771 from c13no.peaks (7.02, 4.42, 62.23 ppm; 4.47 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2772 from c13no.peaks (7.79, 4.42, 62.23 ppm; 3.99 A):
    1 out of 1 assignment used, quality = 0.97:
      H     VAL   77 + HA    VAL   77  OK    97    97 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2773 from c13no.peaks (8.04, 4.42, 62.23 ppm; 4.11 A):
    1 out of 1 assignment used, quality = 0.87:
      H     ARG   78 + HA    VAL   77  OK    87    87 100 100  3.5-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2774 from c13no.peaks (7.79, 2.19, 34.56 ppm; 3.82 A):
    1 out of 1 assignment used, quality = 0.97:
      H     VAL   77 + HB    VAL   77  OK    97    97 100 100  2.4-3.7   1016=95, 1737/2.1=85, 2763/2.1=65, 295/2759=56...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2775 from c13no.peaks (1.78, 2.19, 34.56 ppm; 4.57 A increased from 3.66 A):
    1 out of 3 assignments used, quality = 0.90:
      HG2   ARG   78 + HB    VAL   77  OK    90    90 100 100  3.3-4.4   2817/2.1=78, 1.8/2792=55, 2829/2759=51, ~1729=50...(11)
      QE    MET   83 - HB    VAL   77  far    0    97   0   -  5.2-6.7
      HB3   ARG   74 - HB    VAL   77  far    0    95   0   -  7.3-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2776 from c13no.peaks (1.52, 2.19, 34.56 ppm; 4.22 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   ARG   78 + HB    VAL   77  far    0   100   0   -  5.1-5.7
    Violated in 20 structures by 1.22 A.
 
    Peak 2777 from c13no.peaks (2.35, 0.88, 20.20 ppm; 3.64 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2778 from c13no.peaks (2.21, 0.90, 21.81 ppm; 2.75 A):
    1 out of 6 assignments used, quality = 0.81:
      HB    VAL   77 + QG1   VAL   77  OK    81    81 100 100  2.1-2.1   2.1=100
      HG3   GLU  113 - QG1   VAL   88  far    0    95   0   -  5.6-6.4
      HG3   GLU   81 - QG1   VAL   88  far    0    98   0   -  7.0-9.4
      HB2   MET   83 - QG1   VAL   88  far    0    98   0   -  7.3-9.2
      HB2   MET   83 - QG1   VAL   77  far    0    99   0   -  7.9-9.3
      HG3   PRO   58 - QG1   VAL   88  far    0    88   0   -  8.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2779 from c13no.peaks (2.37, 0.90, 21.81 ppm; 3.68 A increased from 3.10 A):
    1 out of 6 assignments used, quality = 0.80:
      HG2   GLU   76 + QG1   VAL   77  OK    80    85 100  95  2.0-3.7   2754=47, 1015/4.0=36, ~2753=31, 1005/2770=24...(10)
      HG2   GLU   85 - QG1   VAL   88  far    0    77   0   -  4.9-6.9
      HB2   PRO   58 - QG1   VAL   88  far    0    70   0   -  7.3-8.4
      HG2   GLU   67 - QG1   VAL   88  far    0    99   0   -  7.4-8.8
      HG2   GLU  114 - QG1   VAL   88  far    0    77   0   -  8.5-9.2
      HG3   GLU   60 - QG1   VAL   88  far    0    93   0   -  9.3-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2780 from c13no.peaks (2.60, 1.70, 32.61 ppm; 5.16 A):
    1 out of 1 assignment used, quality = 0.97:
      HG2   MET   83 + HB2   ARG   78  OK    97    97 100 100  2.4-3.8   2946/1.8=94, ~2953=72, 1022/4.0=52, ~1645=45...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 2781 from c13no.peaks (2.76, 1.53, 32.61 ppm; 5.33 A):
    1 out of 1 assignment used, quality = 0.97:
      HD3   ARG   78 + HB3   ARG   78  OK    97    97 100 100  2.9-3.5   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2782 from c13no.peaks (1.71, 1.53, 32.61 ppm; 3.98 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   ARG   78 + HB3   ARG   78  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2783 from c13no.peaks (2.35, 1.53, 32.61 ppm; 5.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2784 from c13no.peaks (3.06, 1.53, 32.61 ppm; 5.43 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   ARG   78 + HB3   ARG   78  OK   100   100 100 100  2.2-2.6   3.5=100
      HE2   LYS   80 - HB3   ARG   78  far    0    78   0   -  6.8-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2785 from c13no.peaks (4.64, 1.53, 32.61 ppm; 5.24 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   78 + HB3   ARG   78  OK    99    99 100 100  3.0-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2786 from c13no.peaks (0.89, 1.48, 30.22 ppm; 4.26 A):
    2 out of 4 assignments used, quality = 0.99:
      QG2   VAL   77 + HG3   ARG   78  OK    97    97 100 100  1.9-3.5   1730/1.8=90, 1729/3.0=72, 2808/3.0=58, 2802/3.0=52...(11)
      QG1   VAL   77 + HG3   ARG   78  OK    47    99  48 100  4.2-5.5   ~1730=61, ~2817=55, ~2775=47, 4.0/2831=45...(13)
      QD2   LEU   86 - HG3   ARG   78  far    0    99   0   -  7.8-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2787 from c13no.peaks (4.64, 1.48, 30.22 ppm; 4.55 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    ARG   78 + HG3   ARG   78  OK    99    99 100 100  2.4-3.2   4.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2788 from c13no.peaks (4.72, 1.48, 30.22 ppm; 4.99 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2789 from c13no.peaks (4.65, 1.77, 30.22 ppm; 4.80 A):
    1 out of 1 assignment used, quality = 0.89:
      HA    ARG   78 + HG2   ARG   78  OK    89    89 100 100  2.6-3.3   4.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2790 from c13no.peaks (4.74, 1.77, 30.22 ppm; 4.42 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    HIS   51 + HB3   GLU   53  far    0    58   0   -  8.2-8.3
    Violated in 20 structures by 3.86 A.
 
    Peak 2791 from c13no.peaks (1.78, 1.48, 30.22 ppm; 3.37 A):
    1 out of 5 assignments used, quality = 0.90:
      HG2   ARG   78 + HG3   ARG   78  OK    90    90 100 100  1.8-1.8   1.8=100
      QE    MET   83 - HG3   ARG   78  far    0    97   0   -  4.5-5.5
      HG    LEU   86 - HG3   ARG   78  far    0    81   0   -  8.8-10.7
      HB2   LEU   86 - HG3   ARG   78  far    0    83   0   -  9.0-10.8
      HB3   ARG   74 - HG3   ARG   78  far    0    95   0   -  9.0-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2792 from c13no.peaks (2.19, 1.48, 30.22 ppm; 5.50 A increased from 5.30 A):
    1 out of 1 assignment used, quality = 1.00:
      HB    VAL   77 + HG3   ARG   78  OK   100   100 100 100  2.9-5.5   2775/1.8=96, ~1730=87, ~2817=82, 1024/2831=70...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 2793 from c13no.peaks (2.76, 1.48, 30.22 ppm; 4.59 A):
    1 out of 1 assignment used, quality = 0.97:
      HD3   ARG   78 + HG3   ARG   78  OK    97    97 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2794 from c13no.peaks (3.07, 2.77, 43.48 ppm; 3.41 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   ARG   78 + HD3   ARG   78  OK   100   100 100 100  1.8-1.8   1.8=100
      HE2   LYS   80 - HD3   ARG   78  far    0    95   0   -  9.7-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2796 from c13no.peaks (2.78, 3.06, 43.48 ppm; 3.45 A):
    1 out of 1 assignment used, quality = 0.99:
      HD3   ARG   78 + HD2   ARG   78  OK    99    99 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2797 from c13no.peaks (1.78, 2.77, 43.48 ppm; 3.82 A):
    1 out of 7 assignments used, quality = 0.90:
      HG2   ARG   78 + HD3   ARG   78  OK    90    90 100 100  2.3-3.0   3.0=100
      QE    MET   83 - HD3   ARG   78  far    0    97   0   -  4.1-5.5
      HB2   LEU   86 - HD3   ARG   78  far    0    83   0   -  6.9-8.8
      HG    LEU   86 - HD3   ARG   78  far    0    81   0   -  6.9-8.3
      QB    LEU   84 - HD3   ARG   78  far    0    60   0   -  9.3-9.9
      HG    LEU   87 - HD3   ARG   78  far    0    73   0   -  9.9-11.4
      HB3   ARG   74 - HD3   ARG   78  far    0    95   0   -  9.9-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2798 from c13no.peaks (1.71, 2.77, 43.48 ppm; 3.91 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   ARG   78 + HD3   ARG   78  OK   100   100 100 100  2.5-2.8   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2799 from c13no.peaks (1.48, 2.77, 43.48 ppm; 3.92 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   ARG   78 + HD3   ARG   78  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2800 from c13no.peaks (1.53, 2.77, 43.48 ppm; 3.98 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   ARG   78 + HD3   ARG   78  OK   100   100 100 100  2.9-3.5   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2801 from c13no.peaks (0.68, 2.77, 43.48 ppm; 4.96 A increased from 4.41 A):
    1 out of 2 assignments used, quality = 0.97:
      QD1   LEU   86 + HD3   ARG   78  OK    97    98 100  98  4.5-4.9   2809/1.8=84, 3059=80, 3062/2812=51
    Violated in 1 structures by 0.00 A.
 
    Peak 2802 from c13no.peaks (0.89, 2.77, 43.48 ppm; 4.80 A):
    1 out of 4 assignments used, quality = 0.97:
      QG2   VAL   77 + HD3   ARG   78  OK    97    97 100 100  3.7-4.5   2808/1.8=87, 1730/3.0=84, 1729/3.5=76, 1027/1021=51...(11)
      QD2   LEU   86 - HD3   ARG   78  far    0    99   0   -  6.0-6.5
      QG1   VAL   77 - HD3   ARG   78  far    0    99   0   -  6.1-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2803 from c13no.peaks (2.14, 3.06, 43.48 ppm; 4.99 A):
    2 out of 14 assignments used, quality = 0.98:
      HG3   MET   83 + HD2   ARG   78  OK    97    99 100  97  2.7-3.6   2953/3.5=68, 3.3/1642=67, 3056/2809=50, 2981/1067=45
      QB    GLU   67 + HD2   ARG   66  OK    32    46  70 100  2.3-5.4   2235/2.5=81, ~2456=47, ~953=44, ~2459=42...(10)
      QB    GLU   67 - HD3   ARG   66  poor  16    48  33   -  3.0-5.6
      QB    GLU   85 - HD3   ARG   66  far    0    50   0   -  6.4-9.0
      QB    GLU   85 - HD2   ARG   66  far    0    48   0   -  6.8-9.9
      QB    GLN   71 - HD2   ARG   66  far    0    68   0   -  7.1-10.9
      HB2   LEU   68 - HD3   ARG   66  far    0    53   0   -  7.4-10.8
      HB3   GLN   64 - HD2   ARG   66  far    0    68   0   -  7.6-9.6
      HB2   LEU   68 - HD2   ARG   66  far    0    51   0   -  7.6-10.7
      QB    GLN   71 - HD3   ARG   66  far    0    70   0   -  7.7-11.5
      HB3   GLN   64 - HD3   ARG   66  far    0    70   0   -  8.2-9.5
      QB    GLU   85 - HD2   ARG   78  far    0    81   0   -  8.8-9.9
      HB2   GLU   60 - HD3   ARG   66  far    0    55   0   -  9.9-12.7
      HB2   GLU   60 - HD2   ARG   66  far    0    53   0   -  9.9-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2804 from c13no.peaks (1.78, 3.06, 43.48 ppm; 3.58 A):
    1 out of 11 assignments used, quality = 0.90:
      HG2   ARG   78 + HD2   ARG   78  OK    90    90 100 100  2.5-3.0   3.0=100
      QE    MET   83 - HD2   ARG   78  far    0    97   0   -  3.8-4.3
      QB    LEU   84 - HD2   ARG   66  far    0    34   0   -  4.3-6.9
      QB    LEU   84 - HD3   ARG   66  far    0    35   0   -  4.3-6.0
      HG    LEU   86 - HD2   ARG   78  far    0    81   0   -  6.3-8.1
      HB2   LEU   86 - HD2   ARG   78  far    0    83   0   -  6.4-8.3
      QE    MET   83 - HD2   ARG   66  far    0    62   0   -  7.6-11.2
      QE    MET   83 - HD3   ARG   66  far    0    65   0   -  8.0-10.7
      QB    LEU   84 - HD2   ARG   78  far    0    60   0   -  8.7-9.1
      HG    LEU   87 - HD2   ARG   78  far    0    73   0   -  9.2-10.0
      HB3   ARG   74 - HD2   ARG   78  far    0    95   0   -  9.7-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2805 from c13no.peaks (1.48, 3.06, 43.48 ppm; 3.80 A):
    1 out of 7 assignments used, quality = 1.00:
      HG3   ARG   78 + HD2   ARG   78  OK   100   100 100 100  2.5-3.0   3.0=100
      HB3   LYS   80 - HD2   ARG   66  far    0    51   0   -  4.2-8.3
      HB3   LYS   80 - HD3   ARG   66  far    0    53   0   -  4.4-8.2
      HB3   LYS   80 - HD2   ARG   78  far    0    85   0   -  9.1-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2806 from c13no.peaks (1.53, 3.06, 43.48 ppm; 3.64 A):
    1 out of 10 assignments used, quality = 1.00:
      HB3   ARG   78 + HD2   ARG   78  OK   100   100 100 100  2.2-2.6   3.5=100
      QB    ALA   63 - HD2   ARG   66  poor  20    54  63  59  3.0-5.2   ~2421=31, 2.1/2422=18, ~2418=15, 8.0/940=9
      QB    ALA   63 - HD3   ARG   66  far    8    57  15   -  3.6-5.7
      HG3   ARG   70 - HD2   ARG   66  far    0    67   0   -  4.7-9.3
      HG3   ARG   70 - HD3   ARG   66  far    0    70   0   -  5.2-8.8
      HB3   LEU   68 - HD2   ARG   66  far    0    54   0   -  6.7-10.1
      HB3   LEU   68 - HD3   ARG   66  far    0    57   0   -  7.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2807 from c13no.peaks (1.71, 3.06, 43.48 ppm; 3.74 A):
    1 out of 4 assignments used, quality = 1.00:
      HB2   ARG   78 + HD2   ARG   78  OK   100   100 100 100  2.2-3.0   3.5=100
      QB    GLN   91 - HD3   ARG   66  far    0    50   0   -  9.5-10.7
      QB    GLN   91 - HD2   ARG   66  far    0    48   0   -  9.7-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2808 from c13no.peaks (0.89, 3.06, 43.48 ppm; 4.47 A):
    1 out of 8 assignments used, quality = 0.95:
      QG2   VAL   77 + HD2   ARG   78  OK    95    97  98 100  3.2-4.0   1730/3.0=78, 2802/1.8=70, 1729/3.5=68, 1027/1020=53...(12)
      QG1   VAL   88 - HD3   ARG   66  far    0    65   0   -  4.7-6.7
      QG1   VAL   88 - HD2   ARG   66  far    0    62   0   -  5.1-7.2
      QG1   VAL   77 - HD2   ARG   78  far    0    99   0   -  5.8-6.6
      QD2   LEU   86 - HD2   ARG   78  far    0    99   0   -  5.9-6.5
    Violated in 1 structures by 0.01 A.
 
    Peak 2809 from c13no.peaks (0.68, 3.06, 43.48 ppm; 4.78 A increased from 4.50 A):
    1 out of 4 assignments used, quality = 0.93:
      QD1   LEU   86 + HD2   ARG   78  OK    93    98 100  95  4.0-4.8   2801/1.8=75, 3060=67, 3056/2803=33
    Violated in 1 structures by 0.00 A.
 
    Peak 2810 from c13no.peaks (4.74, 2.77, 43.48 ppm; 4.25 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2812 from c13no.peaks (3.68, 2.77, 43.48 ppm; 5.50 A increased from 5.28 A):
    1 out of 1 assignment used, quality = 0.73:
      HA    MET   83 + HD3   ARG   78  OK    73    89  95  86  5.0-5.6   3062/2801=70, ~1067=54
    Violated in 4 structures by 0.01 A.
 
    Peak 2813 from c13no.peaks (4.74, 3.06, 43.48 ppm; 3.67 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2814 from c13no.peaks (1.48, 1.77, 30.22 ppm; 3.27 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   ARG   78 + HG2   ARG   78  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2815 from c13no.peaks (1.53, 1.77, 30.22 ppm; 3.36 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   ARG   78 + HG2   ARG   78  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2816 from c13no.peaks (1.71, 1.77, 30.22 ppm; 3.01 A increased from 2.83 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   ARG   78 + HG2   ARG   78  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 1 structures by 0.00 A.
 
    Peak 2817 from c13no.peaks (0.89, 1.77, 30.22 ppm; 3.99 A):
    1 out of 6 assignments used, quality = 0.97:
      QG2   VAL   77 + HG2   ARG   78  OK    97    97 100 100  1.7-3.5   1730=83, 1729/3.0=65, 2.1/2775=52, 2808/3.0=51...(12)
      QG1   VAL   77 - HG2   ARG   78  far   10    99  10   -  4.0-5.4
      QD2   LEU   86 - HG2   ARG   78  far    0    99   0   -  7.8-8.6
      QD1   ILE  100 - HB3   GLU   53  far    0    65   0   -  8.3-9.9
      QG2   ILE  100 - HB3   GLU   53  far    0    77   0   -  9.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2818 from c13no.peaks (2.76, 1.77, 30.22 ppm; 4.62 A):
    1 out of 2 assignments used, quality = 0.97:
      HD3   ARG   78 + HG2   ARG   78  OK    97    97 100 100  2.3-3.0   3.0=100
      QB    TYR   52 - HB3   GLU   53  far    0    54   0   -  6.4-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2819 from c13no.peaks (3.07, 1.77, 30.22 ppm; 4.23 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   ARG   78 + HG2   ARG   78  OK   100   100 100 100  2.5-3.0   3.0=100
      HE2   LYS   80 - HG2   ARG   78  far    0    95   0   -  8.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2820 from c13no.peaks (1.53, 1.70, 32.61 ppm; 3.98 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   ARG   78 + HB2   ARG   78  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2821 from c13no.peaks (1.48, 1.70, 32.61 ppm; 4.01 A):
    1 out of 3 assignments used, quality = 1.00:
      HG3   ARG   78 + HB2   ARG   78  OK   100   100 100 100  2.4-3.0   3.0=100
      HB3   LYS   80 - HB2   ARG   78  far    0    85   0   -  8.3-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2822 from c13no.peaks (1.78, 1.53, 32.61 ppm; 4.03 A):
    2 out of 5 assignments used, quality = 1.00:
      QE    MET   83 + HB3   ARG   78  OK    99   100 100  99  2.0-3.4   1645=64, 1642/3.5=48, 3.3/2946=45, 1643/2676=44...(13)
      HG2   ARG   78 + HB3   ARG   78  OK    99    99 100 100  2.3-3.0   3.0=100
      HB2   LEU   86 - HB3   ARG   78  far    0    97   0   -  7.4-9.4
      QB    LEU   84 - HB3   ARG   78  far    0    83   0   -  7.9-8.3
      HB3   ARG   74 - HB3   ARG   78  far    0    78   0   -  8.4-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2823 from c13no.peaks (2.60, 1.53, 32.61 ppm; 5.29 A):
    1 out of 2 assignments used, quality = 0.97:
      HG2   MET   83 + HB3   ARG   78  OK    97    97 100 100  2.0-2.9   2780/1.8=84, 2946=83, 1.8/2953=81, 1068/1077=65...(7)
      HB2   CYS   69 - HB3   ARG   78  far    0   100   0   - 10.0-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2824 from c13no.peaks (8.03, 1.53, 32.61 ppm; 4.77 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   78 + HB3   ARG   78  OK   100   100 100 100  2.5-2.8   4.0=100
      H     LEU   84 - HB3   ARG   78  far    0    87   0   -  6.1-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2825 from c13no.peaks (8.55, 1.53, 32.61 ppm; 5.09 A):
    1 out of 1 assignment used, quality = 0.96:
      H     SER   79 + HB3   ARG   78  OK    96    96 100 100  2.9-3.5   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2826 from c13no.peaks (8.03, 1.70, 32.61 ppm; 4.66 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   78 + HB2   ARG   78  OK   100   100 100 100  3.7-3.8   4.0=100
      H     LEU   84 - HB2   ARG   78  far    0    87   0   -  6.4-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2827 from c13no.peaks (8.55, 1.70, 32.61 ppm; 5.40 A):
    1 out of 1 assignment used, quality = 0.96:
      H     SER   79 + HB2   ARG   78  OK    96    96 100 100  1.9-2.3   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2828 from c13no.peaks (7.81, 1.70, 32.61 ppm; 5.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2829 from c13no.peaks (8.03, 1.77, 30.22 ppm; 4.43 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG   78 + HG2   ARG   78  OK   100   100 100 100  2.7-3.9   1026/3.0=79, 3.0/272=78, 4.9=73, 2831/1.8=70...(12)
      H     LEU   84 - HG2   ARG   78  far    0    87   0   -  8.4-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2830 from c13no.peaks (8.55, 1.77, 30.22 ppm; 5.04 A increased from 4.48 A):
    1 out of 2 assignments used, quality = 0.96:
      H     SER   79 + HG2   ARG   78  OK    96    96 100 100  4.1-4.9   1035/3.0=86, 5.3=86, 3.6/272=83, 2833/1.8=78...(12)
      H     GLU   60 - HB3   GLU   53  far    0    50   0   -  8.1-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2831 from c13no.peaks (8.04, 1.48, 30.22 ppm; 4.62 A):
    1 out of 2 assignments used, quality = 0.96:
      H     ARG   78 + HG3   ARG   78  OK    96    96 100 100  2.5-3.9   4.9=83, 1026/3.0=80, 2829/1.8=80, 3.0/1209=74...(13)
      H     LEU   84 - HG3   ARG   78  far    0    98   0   -  8.4-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2832 from c13no.peaks (7.79, 1.48, 30.22 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.93:
      H     VAL   77 + HG3   ARG   78  OK    93    93 100 100  3.8-5.5   295/2831=77, 1019/3.0=76, 2774/2792=62, 1737/2786=56...(9)
    Violated in 2 structures by 0.00 A.
 
    Peak 2833 from c13no.peaks (8.54, 1.48, 30.22 ppm; 4.99 A):
    1 out of 1 assignment used, quality = 1.00:
      H     SER   79 + HG3   ARG   78  OK   100   100 100 100  4.0-4.8   1035/3.0=89, 5.3=83, 328/4.2=77, 2830/1.8=76...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 2834 from c13no.peaks (8.43, 1.48, 30.22 ppm; 5.22 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2835 from c13no.peaks (8.04, 3.06, 43.48 ppm; 5.47 A):
    1 out of 4 assignments used, quality = 0.96:
      H     ARG   78 + HD2   ARG   78  OK    96    96 100 100  4.2-4.8   1020=95, 1026/3.5=88, 2831/3.0=83, 2829/3.0=82...(12)
      H     LEU   84 - HD2   ARG   66  far    0    64   0   -  6.6-10.3
      H     LEU   84 - HD3   ARG   66  far    0    67   0   -  6.8-9.5
      H     LEU   84 - HD2   ARG   78  far    0    98   0   -  7.0-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2836 from c13no.peaks (7.86, 3.06, 43.48 ppm; 5.50 A):
    0 out of 8 assignments used, quality = 0.00:
      H     GLU   85 + HD3   ARG   66  far    0    58   0   -  6.5-8.8
      H     GLU   85 + HD2   ARG   66  far    0    56   0   -  6.8-9.9
      HE21  GLN   71 + HD2   ARG   66  far    0    66   0   -  7.0-10.5
      H     GLN   82 + HD2   ARG   78  far    0    99   0   -  7.1-7.6
      HE21  GLN   71 + HD3   ARG   66  far    0    68   0   -  7.6-10.6
      H     GLN   82 + HD2   ARG   66  far    0    66   0   -  7.8-11.5
      H     GLN   82 + HD3   ARG   66  far    0    68   0   -  8.1-11.0
      H     GLU   85 + HD2   ARG   78  far    0    90   0   -  8.7-9.3
    Violated in 20 structures by 0.52 A.
 
    Peak 2837 from c13no.peaks (8.04, 2.77, 43.48 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 0.96:
      H     ARG   78 + HD3   ARG   78  OK    96    96 100 100  4.6-5.4   1021=95, 1020/1.8=89, 1026/3.5=88, 2831/3.0=84...(11)
      H     LEU   84 - HD3   ARG   78  far    0    98   0   -  7.5-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2838 from c13no.peaks (8.55, 2.77, 43.48 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.96:
      H     SER   79 + HD3   ARG   78  OK    96    96 100 100  4.4-4.9   1030=91, 1035/3.5=87, 1029/1.8=84, 2830/3.0=77...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2839 from c13no.peaks (8.55, 3.06, 43.48 ppm; 5.50 A):
    1 out of 3 assignments used, quality = 0.96:
      H     SER   79 + HD2   ARG   78  OK    96    96 100 100  4.0-5.1   1029=95, 1035/3.5=87, 1030/1.8=85, 2830/3.0=77...(11)
      H     GLU   60 - HD2   ARG   66  far    0    43   0   -  8.9-12.0
      H     GLU   60 - HD3   ARG   66  far    0    45   0   -  8.9-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2841 from c13no.peaks (4.45, 4.00, 65.81 ppm; 3.52 A):
    2 out of 3 assignments used, quality = 1.00:
      HB2   SER   79 + HB3   SER   79  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    SER   79 + HB3   SER   79  OK   100   100 100 100  2.2-3.0   3.0=100
      HA    VAL   77 - HB3   SER   79  far    0    73   0   -  8.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2842 from c13no.peaks (4.00, 4.45, 65.81 ppm; 4.06 A):
    1 out of 2 assignments used, quality = 0.99:
      HB3   SER   79 + HB2   SER   79  OK    99    99 100 100  1.8-1.8   1.8=100
      HD2   PRO   75 - HB2   SER   79  far    0   100   0   -  8.7-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2843 from c13no.peaks (4.00, 4.45, 56.67 ppm; 4.02 A):
    1 out of 2 assignments used, quality = 0.99:
      HB3   SER   79 + HA    SER   79  OK    99    99 100 100  2.2-3.0   3.0=100
      HD2   PRO   75 - HA    SER   79  far    0   100   0   -  6.4-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2845 from c13no.peaks (9.11, 4.00, 65.81 ppm; 5.21 A):
    1 out of 1 assignment used, quality = 0.96:
      H     LYS   80 + HB3   SER   79  OK    96    96 100 100  2.9-4.2   4.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2846 from c13no.peaks (8.71, 4.00, 65.81 ppm; 5.42 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLU   81 + HB3   SER   79  OK    99    99 100 100  3.1-4.8   346=88, 334/332=72, 344/3.0=51, 1048/7.1=39...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2847 from c13no.peaks (8.55, 4.00, 65.81 ppm; 4.49 A):
    1 out of 1 assignment used, quality = 0.99:
      H     SER   79 + HB3   SER   79  OK    99    99 100 100  2.1-3.4   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2848 from c13no.peaks (1.17, 1.50, 33.50 ppm; 4.05 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   LYS   80 + HB3   LYS   80  OK   100   100 100 100  2.2-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2849 from c13no.peaks (0.74, 1.50, 33.50 ppm; 4.84 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   84 + HB3   LYS   80  OK    99   100 100  99  2.2-4.5   2860/1.8=84, 2861/3.0=74, 2853/3.3=53, 1046/1048=48...(6)
      QD1   LEU   87 - HB3   LYS   80  far    0   100   0   -  6.2-8.2
      QD1   LEU   65 - HB3   LYS   80  far    0    96   0   -  9.9-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2850 from c13no.peaks (1.88, 1.50, 33.50 ppm; 3.55 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   LYS   80 + HB3   LYS   80  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    ARG   66 - HB3   LYS   80  far    0    90   0   -  4.2-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2851 from c13no.peaks (1.76, 1.50, 33.50 ppm; 3.60 A):
    1 out of 6 assignments used, quality = 0.76:
      QD    LYS   80 + HB3   LYS   80  OK    76    76 100 100  1.9-3.5   3.3=100
      QB    LEU   84 - HB3   LYS   80  far   12    98  13   -  3.6-4.8
      HG2   ARG   70 - HB3   LYS   80  far    0    83   0   -  3.8-6.7
      QE    MET   83 - HB3   LYS   80  far    0    98   0   -  4.2-5.9
      HB2   LEU   86 - HB3   LYS   80  far    0   100   0   -  8.9-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2852 from c13no.peaks (1.17, 1.74, 30.87 ppm; 3.63 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   LYS   80 + QD    LYS   80  OK   100   100 100 100  2.1-2.5   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2853 from c13no.peaks (0.74, 1.74, 30.87 ppm; 5.50 A increased from 4.56 A):
    1 out of 3 assignments used, quality = 0.97:
      QD1   LEU   84 + QD    LYS   80  OK    97   100  98 100  4.7-5.6   2860/289=81, 2849/3.3=77, 2861/741=71, 2697/2879=58
      QD1   LEU   87 - QD    LYS   80  far    0   100   0   -  8.0-9.2
    Violated in 1 structures by 0.01 A.
 
    Peak 2854 from c13no.peaks (1.74, 1.17, 27.95 ppm; 3.69 A):
    1 out of 5 assignments used, quality = 1.00:
      QD    LYS   80 + HG3   LYS   80  OK   100   100 100 100  2.1-2.5   2.5=100
      HG2   ARG   70 - HG3   LYS   80  far    0   100   0   -  4.3-7.4
      QB    LEU   84 - HG3   LYS   80  far    0    96   0   -  4.8-6.5
      HG2   ARG   78 - HG3   LYS   80  far    0    71   0   -  8.7-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2855 from c13no.peaks (2.99, 1.62, 27.95 ppm; 4.89 A):
    1 out of 1 assignment used, quality = 1.00:
      HE3   LYS   80 + HG2   LYS   80  OK   100   100 100 100  2.2-3.7   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2856 from c13no.peaks (3.08, 1.62, 27.95 ppm; 4.75 A):
    1 out of 3 assignments used, quality = 1.00:
      HE2   LYS   80 + HG2   LYS   80  OK   100   100 100 100  2.0-4.0   3.9=100
      HD2   ARG   66 - HG2   LYS   80  far    0    97   0   -  5.7-9.7
      HD2   ARG   78 - HG2   LYS   80  far    0    92   0   -  9.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2857 from c13no.peaks (3.08, 1.50, 33.50 ppm; 5.21 A):
    1 out of 3 assignments used, quality = 1.00:
      HE2   LYS   80 + HB3   LYS   80  OK   100   100 100 100  3.0-4.3   4.8=100
      HD2   ARG   66 - HB3   LYS   80  far    7    97   8   -  4.2-8.3
      HD2   ARG   78 - HB3   LYS   80  far    0    92   0   -  9.1-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2858 from c13no.peaks (2.99, 1.50, 33.50 ppm; 5.15 A):
    1 out of 1 assignment used, quality = 1.00:
      HE3   LYS   80 + HB3   LYS   80  OK   100   100 100 100  2.0-4.7   4.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2859 from c13no.peaks (1.17, 1.87, 33.50 ppm; 4.14 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   LYS   80 + HB2   LYS   80  OK   100   100 100 100  2.5-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2860 from c13no.peaks (0.74, 1.87, 33.50 ppm; 4.66 A):
    1 out of 3 assignments used, quality = 0.99:
      QD1   LEU   84 + HB2   LYS   80  OK    99   100 100  99  3.2-4.4   2849/1.8=75, 2861/3.0=70, 2697/2696=65, 2853/289=49...(7)
      QD1   LEU   87 - HB2   LYS   80  far    0   100   0   -  6.5-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2861 from c13no.peaks (0.74, 3.79, 61.68 ppm; 4.37 A):
    1 out of 3 assignments used, quality = 1.00:
      QD1   LEU   84 + HA    LYS   80  OK   100   100 100 100  2.2-2.8   2860/3.0=58, 1636/1639=55, 2849/3.0=55, 3025/2904=46...(12)
      QD1   LEU   87 - HA    LYS   80  far    0   100   0   -  5.7-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2862 from c13no.peaks (1.74, 2.98, 42.52 ppm; 3.51 A):
    1 out of 5 assignments used, quality = 1.00:
      QD    LYS   80 + HE3   LYS   80  OK   100   100 100 100  2.1-2.5   2.5=100
      HG2   ARG   70 - HE3   LYS   80  far    0   100   0   -  3.7-8.8
      QB    LEU   84 - HE3   LYS   80  far    0    96   0   -  6.1-8.2
      HG2   ARG   78 - HE3   LYS   80  far    0    71   0   -  9.3-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2863 from c13no.peaks (1.62, 2.98, 42.52 ppm; 3.86 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   LYS   80 + HE3   LYS   80  OK   100   100 100 100  2.2-3.7   3.9=98, 3.0/2864=42, 283/731=33, ~2871=32...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2864 from c13no.peaks (1.88, 2.98, 42.52 ppm; 4.80 A increased from 4.27 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   LYS   80 + HE3   LYS   80  OK   100   100 100 100  1.9-4.8   4.8=100
      QB    ARG   66 - HE3   LYS   80  far    0    90   0   -  6.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2865 from c13no.peaks (1.16, 2.98, 42.52 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 0.99:
      HG3   LYS   80 + HE3   LYS   80  OK    99    99 100 100  2.1-4.1   3.9=100
    Violated in 1 structures by 0.00 A.
 
    Peak 2866 from c13no.peaks (3.08, 2.98, 42.52 ppm; 2.80 A):
    1 out of 3 assignments used, quality = 1.00:
      HE2   LYS   80 + HE3   LYS   80  OK   100   100 100 100  1.8-1.8   1.8=100
      HD2   ARG   66 - HE3   LYS   80  far    0    97   0   -  7.1-12.1
      HD2   ARG   78 - HE3   LYS   80  far    0    92   0   -  9.8-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2867 from c13no.peaks (2.99, 3.08, 42.52 ppm; 2.86 A):
    1 out of 1 assignment used, quality = 1.00:
      HE3   LYS   80 + HE2   LYS   80  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2868 from c13no.peaks (1.88, 3.08, 42.52 ppm; 4.48 A increased from 4.22 A):
    1 out of 2 assignments used, quality = 0.90:
      HB2   LYS   80 + HE2   LYS   80  OK    90   100  90 100  2.1-4.6   289/2.5=92, 4.8=82, 1.8/2871=78, 2864/1.8=70...(15)
      QB    ARG   66 - HE2   LYS   80  far    0    90   0   -  7.7-9.2
    Violated in 2 structures by 0.01 A.
 
    Peak 2869 from c13no.peaks (1.75, 3.08, 42.52 ppm; 3.43 A):
    1 out of 6 assignments used, quality = 0.98:
      QD    LYS   80 + HE2   LYS   80  OK    98    98 100 100  2.2-2.5   2.5=100
      QE    MET   83 - HE2   LYS   80  far    0    76   0   -  4.8-6.9
      HG2   ARG   70 - HE2   LYS   80  far    0    99   0   -  5.1-8.7
      QB    LEU   84 - HE2   LYS   80  far    0   100   0   -  6.6-7.5
      HG2   ARG   78 - HE2   LYS   80  far    0    87   0   -  8.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2870 from c13no.peaks (1.62, 3.08, 42.52 ppm; 4.06 A increased from 3.82 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   LYS   80 + HE2   LYS   80  OK   100   100 100 100  2.0-4.0   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2871 from c13no.peaks (1.52, 3.08, 42.52 ppm; 4.48 A increased from 4.22 A):
    1 out of 4 assignments used, quality = 0.81:
      HB3   LYS   80 + HE2   LYS   80  OK    81    81 100 100  3.0-4.3   4.8=82, 1.8/2868=78, ~289=65, 3.0/285=59...(14)
      HG3   ARG   70 - HE2   LYS   80  far    0    98   0   -  4.7-7.9
      HB3   ARG   78 - HE2   LYS   80  far    0    98   0   -  6.8-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2872 from c13no.peaks (1.53, 2.98, 42.52 ppm; 4.87 A increased from 4.33 A):
    1 out of 4 assignments used, quality = 0.63:
      HB3   LYS   80 + HE3   LYS   80  OK    63    63 100 100  2.0-4.7   4.8=100
      HG3   ARG   70 - HE3   LYS   80  far    5   100   5   -  2.9-8.1
      HB3   ARG   78 - HE3   LYS   80  far    0   100   0   -  7.5-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2873 from c13no.peaks (2.09, 2.98, 42.52 ppm; 5.01 A):
    1 out of 1 assignment used, quality = 0.91:
      QB    PRO   75 + HE3   LYS   80  OK    91   100 100  91  3.2-4.9   2696/4.8=63, 2879/2.5=52, 2874/1.8=50
    Violated in 0 structures by 0.00 A.
 
    Peak 2874 from c13no.peaks (2.11, 3.08, 42.52 ppm; 5.02 A):
    1 out of 3 assignments used, quality = 0.77:
      QB    PRO   75 + HE2   LYS   80  OK    77    81 100  96  2.6-4.6   2879/2.5=83, 2696/2868=53, 2873/1.8=51
      QB    GLU   85 - HE2   LYS   80  far    0    95   0   -  8.9-9.9
      QB    GLU   67 - HE2   LYS   80  far    0    96   0   -  9.7-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2875 from c13no.peaks (1.16, 3.08, 42.52 ppm; 4.05 A):
    1 out of 2 assignments used, quality = 0.99:
      HG3   LYS   80 + HE2   LYS   80  OK    99    99 100 100  2.3-3.8   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2876 from c13no.peaks (4.44, 2.98, 42.52 ppm; 4.61 A):
    1 out of 3 assignments used, quality = 0.83:
      HA    SER   79 + HE3   LYS   80  OK    83   100  88  95  3.2-4.8   2877/1.8=56, 3.6/1037=55, 5.4/731=36, 6.5/2864=29...(7)
      HB2   SER   79 - HE3   LYS   80  poor  20   100  23  89  3.8-7.1   4.5/1037=46, ~2877=33, 6.5/731=27, 7.1/2864=24...(7)
      HA    VAL   77 - HE3   LYS   80  far    0    92   0   -  8.2-11.0
    Violated in 3 structures by 0.02 A.
 
    Peak 2877 from c13no.peaks (4.45, 3.08, 42.52 ppm; 4.47 A):
    2 out of 3 assignments used, quality = 0.98:
      HA    SER   79 + HE2   LYS   80  OK    96   100 100  96  2.4-3.6   2876/1.8=59, 3.6/1039=55, 5.4/285=36, 6.5/2868=28...(8)
      HB2   SER   79 + HE2   LYS   80  OK    41   100  45  91  3.5-5.8   4.5/1039=45, ~2876=34, 6.5/285=27, 7.1/2868=23...(8)
      HA    VAL   77 - HE2   LYS   80  far    0    78   0   -  8.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2878 from c13no.peaks (1.53, 1.74, 30.87 ppm; 3.46 A):
    1 out of 5 assignments used, quality = 0.63:
      HB3   LYS   80 + QD    LYS   80  OK    63    63 100 100  1.9-3.5   3.3=100
      HG3   ARG   70 - QD    LYS   80  far    0   100   0   -  3.6-6.4
      HB3   ARG   78 - QD    LYS   80  far    0   100   0   -  7.3-8.6
      QB    ALA   63 - QD    LYS   80  far    0    76   0   -  8.3-10.2
    Violated in 3 structures by 0.01 A.
 
    Peak 2879 from c13no.peaks (2.11, 1.74, 30.87 ppm; 4.42 A increased from 3.93 A):
    1 out of 3 assignments used, quality = 0.74:
      QB    PRO   75 + QD    LYS   80  OK    74    81 100  92  3.8-4.4   2696/289=60, 2874/2.5=57, 2873/2.5=36, 2697/2853=30
      QB    GLU   85 - QD    LYS   80  far    0    95   0   -  6.8-8.8
      QB    GLU   67 - QD    LYS   80  far    0    96   0   -  6.9-9.5
    Violated in 4 structures by 0.00 A.
 
    Peak 2880 from c13no.peaks (3.08, 1.74, 30.87 ppm; 3.72 A):
    1 out of 3 assignments used, quality = 1.00:
      HE2   LYS   80 + QD    LYS   80  OK   100   100 100 100  2.2-2.5   2.5=100
      HD2   ARG   66 - QD    LYS   80  far    0   100   0   -  5.3-8.7
      HD2   ARG   78 - QD    LYS   80  far    0    78   0   -  9.0-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2881 from c13no.peaks (2.99, 1.74, 30.87 ppm; 3.80 A):
    1 out of 1 assignment used, quality = 1.00:
      HE3   LYS   80 + QD    LYS   80  OK   100   100 100 100  2.1-2.5   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2882 from c13no.peaks (2.31, 1.17, 27.95 ppm; 4.71 A):
    0 out of 2 assignments used, quality = 0.00:
      HG3   GLU   76 + HG3   LYS   80  far    0    60   0   -  8.4-14.1
      HB    VAL   88 + HG3   LYS   80  far    0    97   0   -  9.3-12.0
    Violated in 20 structures by 4.79 A.
 
    Peak 2883 from c13no.peaks (1.62, 1.17, 27.95 ppm; 3.20 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   LYS   80 + HG3   LYS   80  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2884 from c13no.peaks (1.50, 1.17, 27.95 ppm; 3.76 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LYS   80 + HG3   LYS   80  OK   100   100 100 100  2.2-2.9   3.0=100
      HG3   ARG   78 - HG3   LYS   80  far    0    85   0   -  8.5-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2885 from c13no.peaks (1.17, 1.62, 27.95 ppm; 3.50 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   LYS   80 + HG2   LYS   80  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2886 from c13no.peaks (1.50, 1.87, 33.50 ppm; 3.46 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LYS   80 + HB2   LYS   80  OK   100   100 100 100  1.8-1.8   1.8=100
      HG3   ARG   78 - HB2   LYS   80  far    0    85   0   -  9.1-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2887 from c13no.peaks (1.62, 1.50, 33.50 ppm; 3.83 A):
    1 out of 3 assignments used, quality = 1.00:
      HG2   LYS   80 + HB3   LYS   80  OK   100   100 100 100  2.5-2.9   3.0=100
      QB    ALA   43 - HB3   LYS   80  far    0    90   0   -  9.7-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2888 from c13no.peaks (8.71, 1.87, 33.50 ppm; 4.57 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLU   81 + HB2   LYS   80  OK    99    99 100 100  3.5-3.9   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2889 from c13no.peaks (8.71, 1.50, 33.50 ppm; 4.80 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLU   81 + HB3   LYS   80  OK    99    99 100 100  2.1-3.9   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2890 from c13no.peaks (7.38, 1.17, 27.95 ppm; 4.21 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLU   67 + HG3   LYS   80  far    0    96   0   -  7.5-11.1
    Violated in 20 structures by 5.04 A.
 
    Peak 2891 from c13no.peaks (8.50, 1.17, 27.95 ppm; 4.94 A):
    0 out of 1 assignment used, quality = 0.00:
      H     LEU   68 + HG3   LYS   80  far    0    89   0   -  8.6-11.9
    Violated in 20 structures by 5.68 A.
 
    Peak 2893 from c13no.peaks (9.08, 3.08, 42.52 ppm; 5.40 A):
    1 out of 1 assignment used, quality = 0.96:
      H     LYS   80 + HE2   LYS   80  OK    96    96 100 100  1.9-2.3   1039=96, 1037/1.8=89, 1040/2.5=88, 2.9/285=81...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2894 from c13no.peaks (8.70, 3.08, 42.52 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   81 + HE2   LYS   80  OK   100   100 100 100  3.1-4.2   2896/2.5=81, 1044=81, 1047/3.9=76, 3.6/285=75...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2895 from c13no.peaks (9.09, 2.98, 42.52 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LYS   80 + HE3   LYS   80  OK   100   100 100 100  2.3-3.4   1037=99, 1039/1.8=96, 1040/2.5=93, 2.9/731=76...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 2896 from c13no.peaks (8.71, 1.74, 30.87 ppm; 4.90 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLU   81 + QD    LYS   80  OK    99    99 100 100  1.7-4.0   1048/3.3=81, 1047/2.5=81, 1049/3.3=79, 3.6/741=68...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 2897 from c13no.peaks (9.09, 1.74, 30.87 ppm; 5.35 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LYS   80 + QD    LYS   80  OK   100   100 100 100  1.8-3.6   5.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2898 from c13no.peaks (9.09, 1.50, 33.50 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LYS   80 + HB3   LYS   80  OK   100   100 100 100  2.7-3.6   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2899 from c13no.peaks (9.09, 1.87, 33.50 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LYS   80 + HB2   LYS   80  OK   100   100 100 100  2.4-3.6   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2900 from c13no.peaks (8.71, 3.79, 61.68 ppm; 4.83 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLU   81 + HA    LYS   80  OK    99    99 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2901 from c13no.peaks (9.09, 3.79, 61.68 ppm; 5.28 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LYS   80 + HA    LYS   80  OK   100   100 100 100  2.8-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2903 from c13no.peaks (8.25, 3.79, 61.68 ppm; 4.89 A):
    1 out of 1 assignment used, quality = 0.97:
      H     MET   83 + HA    LYS   80  OK    97    97 100 100  3.1-3.7   1648/1639=74, 350/3.6=64, 347/2905=60, 1074/2861=57...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 2904 from c13no.peaks (8.05, 3.79, 61.68 ppm; 5.18 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   84 + HA    LYS   80  OK    99    99 100 100  2.6-3.7   3025/2861=77, 353/2903=68, 337/3.6=58, 5.9/1639=52...(11)
      H     ARG   78 - HA    LYS   80  far    0    65   0   -  6.2-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2905 from c13no.peaks (7.86, 3.79, 61.68 ppm; 4.98 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLN   82 + HA    LYS   80  OK    99    99 100 100  3.7-4.2   335/3.6=83, 347/2903=64, 1646/1639=52, 1062/6.1=43...(18)
      H     GLU   85 - HA    LYS   80  far    0    90   0   -  5.2-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2906 from c13no.peaks (3.85, 2.42, 37.34 ppm; 3.85 A increased from 3.63 A):
    1 out of 3 assignments used, quality = 0.96:
      HA    GLU   81 + HG2   GLU   81  OK    96    96 100 100  2.5-3.9   4.0=89, 2907/1.8=74, 3.0/1052=60, ~1051=39...(15)
      HA    GLU   81 - HG2   GLU   85  far    0    58   0   -  4.4-4.7
      HA3   GLY  110 - HG2   GLU   85  far    0    37   0   -  9.4-10.8
    Violated in 2 structures by 0.01 A.
 
    Peak 2907 from c13no.peaks (3.85, 2.22, 37.34 ppm; 3.87 A increased from 3.44 A):
    1 out of 1 assignment used, quality = 0.96:
      HA    GLU   81 + HG3   GLU   81  OK    96    96 100 100  2.6-3.7   1375=96, 2906/1.8=75, 3.0/1051=52, 3.6/2914=43...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2911 from c13no.peaks (7.85, 2.42, 37.34 ppm; 3.58 A):
    2 out of 5 assignments used, quality = 0.62:
      H     GLU   85 + HG2   GLU   85  OK    48    49 100  98  2.4-2.6   1085=85, 3037/1.8=64, ~325=32, 358/5.1=25...(10)
      H     GLN   82 + HG2   GLU   81  OK    27   100  28  97  2.3-5.3   2914/1.8=49, 1062/3.0=49, 335/1052=46, 3.6/2906=43...(9)
      H     GLN   82 - HG2   GLU   85  far    0    65   0   -  4.1-4.6
      H     GLU   85 - HG2   GLU   81  far    0    85   0   -  5.6-7.1
      H     GLU  114 - HG2   GLU   85  far    0    41   0   -  7.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2912 from c13no.peaks (8.71, 2.42, 37.34 ppm; 4.15 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   81 + HG2   GLU   81  OK   100   100 100 100  2.2-3.6   1052=98, 1051/1.8=88, 1050/3.0=69, 2920/3.0=67...(14)
      H     GLU   81 - HG2   GLU   85  far    0    65   0   -  6.0-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2913 from c13no.peaks (8.71, 2.22, 37.34 ppm; 4.31 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   81 + HG3   GLU   81  OK   100   100 100 100  1.9-2.3   1052/1.8=91, 1051=83, 1050/3.0=73, 2920/3.0=71...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2914 from c13no.peaks (7.85, 2.22, 37.34 ppm; 4.45 A increased from 4.19 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLN   82 + HG3   GLU   81  OK   100   100 100 100  2.2-4.4   4.9=74, 1062/3.0=72, 3.6/1375=65, 335/2913=59...(10)
      H     GLU   85 - HG3   GLU   81  far    0    85   0   -  5.2-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2915 from c13no.peaks (8.71, 3.83, 61.06 ppm; 3.68 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   81 + HA    GLU   81  OK   100   100 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2916 from c13no.peaks (7.86, 3.83, 61.06 ppm; 4.13 A):
    2 out of 2 assignments used, quality = 0.98:
      H     GLN   82 + HA    GLU   81  OK    95    95 100 100  3.4-3.5   3.6=100
      H     GLU   85 + HA    GLU   81  OK    73    97  98  76  3.1-3.4   355/2917=50, 356/2918=32, 385/5.4=31
    Violated in 0 structures by 0.00 A.
 
    Peak 2917 from c13no.peaks (8.05, 3.83, 61.06 ppm; 4.44 A increased from 4.17 A):
    1 out of 1 assignment used, quality = 0.89:
      H     LEU   84 + HA    GLU   81  OK    89   100 100  89  3.6-4.3   337/3.0=52, 353/2918=48, 2904/5.4=32, 355/2916=27
    Violated in 1 structures by 0.00 A.
 
    Peak 2918 from c13no.peaks (8.26, 3.83, 61.06 ppm; 5.11 A):
    1 out of 1 assignment used, quality = 0.90:
      H     MET   83 + HA    GLU   81  OK    90    90 100 100  4.4-4.8   338/3.6=82, 336/3.0=75, 353/2917=74, 2903/5.4=46...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 2919 from c13no.peaks (7.85, 1.94, 29.28 ppm; 3.87 A):
    2 out of 7 assignments used, quality = 0.97:
      H     GLN   82 + HB3   GLU   81  OK    96   100 100  96  3.0-3.8   4.6=59, 335/2920=53, 2914/3.0=48, 2911/3.0=22...(9)
      H     GLU  114 + HB3   GLU  113  OK    28    28 100  99  3.1-3.6   2922/1.8=81, 4.6=59, 536/4.0=39, 3817/3.0=35...(11)
      H     GLU   85 - HB3   GLU   81  far    0    85   0   -  4.6-5.9
      H     LEU  118 - HB3   GLU  113  far    0    33   0   -  7.8-8.1
      H     GLU  114 - HB3   GLU   81  far    0    73   0   -  9.1-11.5
      H     GLU   85 - HB3   GLU  113  far    0    34   0   -  9.5-10.5
      H     ALA   43 - HB2   ARG   74  far    0    85   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2920 from c13no.peaks (8.71, 1.94, 29.28 ppm; 3.80 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   81 + HB3   GLU   81  OK   100   100 100 100  2.3-3.6   4.0=85, 1050/1.8=78, 1051/3.0=60, 1052/3.0=59...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 2921 from c13no.peaks (8.71, 2.01, 29.28 ppm; 3.78 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   81 + HB2   GLU   81  OK   100   100 100 100  2.8-3.6   1050=87, 2920/1.8=74, 1051/3.0=59, 1052/3.0=58...(16)
      H     GLU   81 - HB2   GLU  113  far    0    66   0   -  9.7-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2922 from c13no.peaks (7.85, 2.01, 29.28 ppm; 3.63 A):
    1 out of 7 assignments used, quality = 0.39:
      H     GLU  114 + HB2   GLU  113  OK    39    42 100  94  2.6-3.1   1280/1.8=50, 4.6=48, 536/4.0=34, 3817/3.0=30...(10)
      H     GLN   82 - HB2   GLU   81  far    0   100   0   -  3.9-4.3
      H     GLU   85 - HB2   GLU   81  far    0    85   0   -  4.6-5.6
      H     GLU   85 - HB2   GLU  113  far    0    50   0   -  7.8-9.0
      H     LEU  118 - HB2   GLU  113  far    0    49   0   -  8.4-9.1
      H     GLU  114 - HB2   GLU   81  far    0    73   0   -  8.8-11.2
      H     GLN   82 - HB2   GLU  113  far    0    66   0   -  9.9-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2923 from c13no.peaks (6.35, 2.44, 34.75 ppm; 5.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2924 from c13no.peaks (5.04, 2.00, 29.65 ppm; 5.50 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    SER  111 + QB    GLN   82  far    0    90   0   -  9.3-10.1
    Violated in 20 structures by 4.28 A.
 
    Peak 2925 from c13no.peaks (4.89, 3.95, 58.89 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.58:
      HA    TRP   72 + HA    GLN   71  OK    58    58 100 100  4.5-4.6   5.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2928 from c13no.peaks (8.33, 2.44, 34.75 ppm; 3.95 A increased from 3.72 A):
    1 out of 3 assignments used, quality = 0.84:
      H     GLN   71 + HG3   GLN   71  OK    84    84 100 100  2.4-3.8   272=83, 2624/1.8=78, 275/2.5=70, 3.0/1348=41...(10)
      H     ARG   74 - HG3   GLN   71  far    0    75   0   -  5.9-7.0
      H     ARG   74 - QG    GLN   82  far    0    76   0   -  8.9-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2930 from c13no.peaks (7.86, 3.95, 58.89 ppm; 3.73 A):
    1 out of 6 assignments used, quality = 0.92:
      H     GLN   82 + HA    GLN   82  OK    92    92 100 100  2.8-2.9   2.9=100
      H     GLU   85 - HA    GLN   82  far    0    99   0   -  4.0-4.5
      HE21  GLN   71 - HA    GLN   71  far    0    59   0   -  4.7-5.3
      H     ALA   43 - HA    GLN   71  far    0    58   0   -  6.8-8.4
      H     GLU   85 - HA    LEU   89  far    0    79   0   -  7.1-7.7
      H     ALA   42 - HA    GLN   71  far    0    54   0   -  8.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2931 from c13no.peaks (7.87, 2.44, 34.75 ppm; 3.71 A):
    2 out of 5 assignments used, quality = 0.99:
      HE21  GLN   71 + HG3   GLN   71  OK    98    98 100 100  2.2-3.5   3.5=100
      H     GLN   82 + QG    GLN   82  OK    43    76  60  95  2.3-4.0   4.3=62, 2.9/305=47, 347/4.5=40, 322/2934=29...(10)
      H     ALA   43 - HG3   GLN   71  far    0    93   0   -  4.6-9.1
      H     GLU   85 - QG    GLN   82  far    0   100   0   -  5.4-6.3
      H     ALA   42 - HG3   GLN   71  far    0   100   0   -  6.8-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2932 from c13no.peaks (7.48, 2.44, 34.75 ppm; 3.84 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2933 from c13no.peaks (8.55, 3.95, 58.89 ppm; 3.70 A):
    0 out of 1 assignment used, quality = 0.00:
      H     SER   79 + HA    GLN   82  far    0   100   0   -  5.8-6.1
    Violated in 20 structures by 2.32 A.
 
    Peak 2934 from c13no.peaks (8.55, 2.44, 34.75 ppm; 4.29 A):
    1 out of 1 assignment used, quality = 0.88:
      H     SER   79 + QG    GLN   82  OK    88   100 100  88  2.0-3.8   1031=63, 322/4.3=41, 320/4.5=41, 326/1354=11
    Violated in 0 structures by 0.00 A.
 
    Peak 2935 from c13no.peaks (9.16, 3.95, 58.89 ppm; 5.08 A):
    1 out of 1 assignment used, quality = 0.82:
      H     PHE   92 + HA    LEU   89  OK    82    82 100 100  3.6-3.9   4.0/1386=69, 406/3.6=61, 1169/6.0=44, 413/6.4=43...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 2936 from c13no.peaks (9.54, 2.05, 29.39 ppm; 3.94 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 2937 from c13no.peaks (-0.64, 1.77, 15.66 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + QE    MET   83  OK   100   100 100 100  1.9-3.1   1782=99, 3.1/1635=65, 2.1/1912=49, 2.1/1921=45...(21)
    Violated in 0 structures by 0.00 A.
 
    Peak 2938 from c13no.peaks (-0.65, 1.76, 41.15 ppm; 4.08 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   73 + QB    LEU   84  far    0    95   0   -  4.6-5.5
    Violated in 20 structures by 1.19 A.
 
    Peak 2939 from c13no.peaks (0.27, 1.76, 41.15 ppm; 4.38 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   73 + QB    LEU   84  OK    99    99 100 100  3.6-4.2   2997/2.3=83, 2940/2.5=66, 2993/321=64, ~3067=54...(19)
      QD2   LEU   62 - QB    LEU   84  far    0    96   0   -  5.1-6.1
      HB3   ARG   44 - QB    LEU   84  far    0    81   0   -  9.5-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2940 from c13no.peaks (0.27, 3.76, 59.70 ppm; 4.48 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   73 + HA    LEU   84  OK    99    99 100 100  2.0-2.8   3115/3123=83, 1923=75, 2939/2.5=71, 2997/4.0=65...(20)
     ?HB3   LEU   73 - HA    LEU   84  poor   8    39  20   -  4.2-6.1
      QD2   LEU   62 - HA    LEU   84  far    0    96   0   -  7.1-7.9
      HB3   ARG   44 - HA    LEU   84  far    0    81   0   -  8.7-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2941 from c13no.peaks (-0.65, 3.76, 59.70 ppm; 5.36 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   73 + HA    LEU   84  OK    99    99 100 100  2.9-4.0   2.1/2940=93, 3133/3123=88, 3067/4.0=82, 1082/3.0=70...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 2943 from c13no.peaks (2.22, 2.60, 31.51 ppm; 3.37 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   MET   83 + HG2   MET   83  OK   100   100 100 100  2.3-3.0   3.0=100
      HG3   GLU   81 - HG2   MET   83  far    0   100   0   -  7.6-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2944 from c13no.peaks (2.15, 2.60, 31.51 ppm; 3.06 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   MET   83 + HG2   MET   83  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    GLU   85 - HG2   MET   83  far    0    65   0   -  6.8-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2945 from c13no.peaks (1.66, 2.60, 31.51 ppm; 3.87 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   MET   83 + HG2   MET   83  OK   100   100 100 100  2.3-3.0   3.0=100
      HB3   LEU   87 - HG2   MET   83  far    0    63   0   -  9.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 2946 from c13no.peaks (1.55, 2.60, 31.51 ppm; 4.19 A):
    1 out of 3 assignments used, quality = 0.83:
      HB3   ARG   78 + HG2   MET   83  OK    83    85 100  98  2.0-2.9   2953/1.8=68, 1.8/2780=51, 1077/1068=43, 2823=41...(7)
      HG3   ARG   70 - HG2   MET   83  far    0    85   0   -  9.2-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2947 from c13no.peaks (1.77, 2.60, 31.51 ppm; 3.70 A):
    1 out of 8 assignments used, quality = 1.00:
      QE    MET   83 + HG2   MET   83  OK   100   100 100 100  2.8-3.3   3.3=100
      HG2   ARG   78 - HG2   MET   83  far    0   100   0   -  3.9-5.0
      HB2   LEU   86 - HG2   MET   83  far    0   100   0   -  5.0-6.9
      QB    LEU   84 - HG2   MET   83  far    0    93   0   -  6.7-7.0
      QD    LYS   80 - HG2   MET   83  far    0    63   0   -  7.5-9.0
      HG2   ARG   70 - HG2   MET   83  far    0    71   0   -  8.7-10.0
      HB3   ARG   74 - HG2   MET   83  far    0    63   0   -  9.2-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2948 from c13no.peaks (0.74, 2.60, 31.51 ppm; 5.19 A increased from 4.88 A):
    2 out of 3 assignments used, quality = 1.00:
      QD1   LEU   84 + HG2   MET   83  OK   100   100 100 100  4.9-5.2   3004/3.0=94, 1074/1068=75, 1080/5.0=68, 1636/3.3=66...(13)
      QD1   LEU   87 + HG2   MET   83  OK    32   100  33  98  4.9-5.8   3133/2949=59, 3097/5.0=54, 2954/1.8=53, 3123/6.9=40...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 2949 from c13no.peaks (-0.64, 2.60, 31.51 ppm; 5.23 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + HG2   MET   83  OK   100   100 100 100  3.7-4.5   1782/3.3=92, 2956/1.8=91, 2964/3.0=76, 2973/311=73...(25)
    Violated in 2 structures by 0.00 A.
 
    Peak 2950 from c13no.peaks (2.60, 2.15, 31.51 ppm; 3.47 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   MET   83 + HG3   MET   83  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   CYS   69 - HG3   MET   83  far    0   100   0   -  7.3-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 2951 from c13no.peaks (1.78, 2.15, 31.51 ppm; 3.67 A):
    1 out of 6 assignments used, quality = 1.00:
      QE    MET   83 + HG3   MET   83  OK   100   100 100 100  2.9-3.3   3.3=100
      HG    LEU   86 - HG3   MET   83  far    3    60   5   -  3.7-6.2
      HB2   LEU   86 - HG3   MET   83  far    0    96   0   -  3.8-5.7
      HG2   ARG   78 - HG3   MET   83  far    0    99   0   -  4.9-6.4
      QB    LEU   84 - HG3   MET   83  far    0    81   0   -  6.6-6.8
      HB3   ARG   74 - HG3   MET   83  far    0    81   0   -  9.4-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2952 from c13no.peaks (1.66, 2.15, 31.51 ppm; 3.83 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   MET   83 + HG3   MET   83  OK   100   100 100 100  2.4-3.0   3.0=100
      HB3   LEU   87 - HG3   MET   83  far    0    63   0   -  7.9-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2953 from c13no.peaks (1.55, 2.15, 31.51 ppm; 4.52 A):
    1 out of 3 assignments used, quality = 0.84:
      HB3   ARG   78 + HG3   MET   83  OK    84    85 100  99  3.6-4.3   2946/1.8=86, ~2780=48, 1645/3.3=45, 1077/2981=42...(6)
      HG3   ARG   70 - HG3   MET   83  far    0    85   0   -  9.5-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2954 from c13no.peaks (0.74, 2.15, 31.51 ppm; 4.77 A):
    2 out of 3 assignments used, quality = 0.99:
      QD1   LEU   87 + HG3   MET   83  OK    96   100  98  98  3.8-4.7   3133/2956=57, 3115/2955=55, 3097/5.0=45, 3123/6.9=32...(11)
      QD1   LEU   84 + HG3   MET   83  OK    65   100  65 100  4.5-5.0   3004/3.0=88, 1636/3.3=62, 1080/2980=59, 3067/2956=58...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 2955 from c13no.peaks (0.28, 2.15, 31.51 ppm; 5.32 A):
    1 out of 2 assignments used, quality = 1.00:
      QD1   LEU   73 + HG3   MET   83  OK   100   100 100 100  3.9-5.1   2.1/2956=89, 2963/3.0=78, 3.1/1903=70, 1924/2971=65...(29)
    Violated in 0 structures by 0.00 A.
 
    Peak 2956 from c13no.peaks (-0.64, 2.15, 31.51 ppm; 4.70 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + HG3   MET   83  OK   100   100 100 100  2.4-3.3   1782/3.3=82, 2949/1.8=66, 2973/2971=65, 2964/3.0=64...(25)
    Violated in 0 structures by 0.00 A.
 
    Peak 2957 from c13no.peaks (2.22, 1.66, 33.87 ppm; 3.44 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   MET   83 + HB3   MET   83  OK   100   100 100 100  1.8-1.8   1.8=100
      HG3   GLU   81 - HB3   MET   83  far    0   100   0   -  6.3-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2958 from c13no.peaks (2.15, 1.66, 33.87 ppm; 3.66 A):
    1 out of 4 assignments used, quality = 1.00:
      HG3   MET   83 + HB3   MET   83  OK   100   100 100 100  2.4-3.0   3.0=100
      QB    GLU   85 - HB3   MET   83  far    0    65   0   -  6.5-7.2
      QB    GLN   71 - HB3   MET   83  far    0    98   0   -  9.6-11.3
      QG    GLU   90 - HB3   MET   83  far    0    97   0   -  9.6-13.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2959 from c13no.peaks (2.60, 1.66, 33.87 ppm; 4.33 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   MET   83 + HB3   MET   83  OK   100   100 100 100  2.3-3.0   3.0=100
      HB2   CYS   69 - HB3   MET   83  far    0   100   0   -  5.4-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 2960 from c13no.peaks (0.98, 1.66, 33.87 ppm; 5.31 A):
    2 out of 2 assignments used, quality = 0.97:
     ?HB3   LEU   73 + HB3   MET   83  OK    95   100  95 100  3.5-5.4   1919/2963=90, 1898/3.0=86, 1894/2964=85, 1897/4.2=85...(6)
      QD2   LEU   87 + HB3   MET   83  OK    32    93  35  98  3.9-6.9   3134/2964=69, 3110/2963=66, 3124/6.1=39, ~2954=32...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 2961 from c13no.peaks (0.98, 2.60, 31.51 ppm; 4.77 A):
    0 out of 2 assignments used, quality = 0.00:
      QD2   LEU   87 + HG2   MET   83  far    0    93   0   -  5.5-6.9
    Violated in 20 structures by 0.96 A.
 
    Peak 2962 from c13no.peaks (0.74, 1.66, 33.87 ppm; 4.33 A):
    3 out of 3 assignments used, quality = 1.00:
      QD1   LEU   84 + HB3   MET   83  OK   100   100 100 100  2.5-3.3   3004/1.8=95, 1080/4.1=62, 1074/4.0=50, 2997/2963=50...(14)
      QD1   LEU   87 + HB3   MET   83  OK    44   100  45  97  3.2-5.1   3115/2963=57, 3133/2964=48, 3097/4.1=45, 3123/6.1=33...(10)
     ?HB3   LEU   73 + HB3   MET   83  OK    23    95  38  64  3.5-5.4   1932/2964=28, 1636/4.2=27, 1918/2963=17, 2968/1.8=15
    Violated in 0 structures by 0.00 A.
 
    Peak 2963 from c13no.peaks (0.27, 1.66, 33.87 ppm; 4.69 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   73 + HB3   MET   83  OK    99    99 100 100  2.2-4.7   2.1/2964=75, 1924/3.0=56, 2955/3.0=53, 2969/1.8=52...(23)
     ?HB3   LEU   73 - HB3   MET   83  poor  16    39  43   -  3.5-5.4
      HB3   ARG   44 - HB3   MET   83  far    0    81   0   -  9.8-13.3
      QD2   LEU   62 - HB3   MET   83  far    0    96   0   -  9.9-11.5
    Violated in 1 structures by 0.00 A.
 
    Peak 2964 from c13no.peaks (-0.65, 1.66, 33.87 ppm; 4.70 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   73 + HB3   MET   83  OK    99    99 100 100  1.8-4.2   2.1/2963=75, 1784/3.0=73, 2970/1.8=70, 1782/4.2=68...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 2965 from c13no.peaks (1.66, 2.22, 33.87 ppm; 3.46 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   MET   83 + HB2   MET   83  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   LEU   87 - HB2   MET   83  far    0    63   0   -  7.5-9.5
      QB    GLN   91 - HB2   MET   83  far    0    76   0   -  9.9-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2967 from c13no.peaks (2.15, 2.22, 33.87 ppm; 3.48 A):
    1 out of 4 assignments used, quality = 1.00:
      HG3   MET   83 + HB2   MET   83  OK   100   100 100 100  2.4-3.0   3.0=100
      QB    GLU   85 - HB2   MET   83  far    0    65   0   -  6.6-7.3
      QB    GLN   71 - HB2   MET   83  far    0    98   0   -  9.6-11.2
      QG    GLU   90 - HB2   MET   83  far    0    97   0   -  9.8-13.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2968 from c13no.peaks (0.74, 2.22, 33.87 ppm; 4.48 A):
    3 out of 3 assignments used, quality = 1.00:
      QD1   LEU   84 + HB2   MET   83  OK   100   100 100 100  2.4-3.2   3004=85, 1080/1078=72, 1636/2977=54, 1074/4.0=54...(14)
      QD1   LEU   87 + HB2   MET   83  OK    60   100  63  96  3.1-4.8   3097/4.1=48, 3133/2970=47, 3115/2969=40, 3123/6.1=36...(9)
     ?HB3   LEU   73 + HB2   MET   83  OK    31    95  53  62  3.5-6.3   1636/2977=30, 1932/2970=28, 2962/1.8=13, 1918/2969=12
    Violated in 0 structures by 0.00 A.
 
    Peak 2969 from c13no.peaks (0.27, 2.22, 33.87 ppm; 5.07 A):
    2 out of 4 assignments used, quality = 0.99:
      QD1   LEU   73 + HB2   MET   83  OK    99    99 100 100  2.0-4.9   2963/1.8=88, 2.1/2970=78, 2997/3004=69, 1924/3.0=65...(22)
     ?HB3   LEU   73 + HB2   MET   83  OK    34    39  90  99  3.5-6.3   1635/2977=98, 1777/2970=21, 2997/3004=14
      HB3   ARG   44 - HB2   MET   83  far    0    81   0   -  9.9-12.1
      QD2   LEU   62 - HB2   MET   83  far    0    96   0   - 10.0-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2970 from c13no.peaks (-0.64, 2.22, 33.87 ppm; 5.00 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + HB2   MET   83  OK   100   100 100 100  2.5-4.3   2964/1.8=85, 1782/2977=83, 2973/3.0=80, 2956/3.0=72...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 2971 from c13no.peaks (2.15, 3.66, 60.59 ppm; 3.60 A):
    1 out of 3 assignments used, quality = 1.00:
      HG3   MET   83 + HA    MET   83  OK   100   100 100 100  2.2-2.6   4.1=69, 1.8/311=65, 2981/2.9=43, 3.3/1640=42...(14)
      QB    GLU   85 - HA    MET   83  far    0    65   0   -  4.7-6.1
      QG    GLU   90 - HA    MET   83  far    0    97   0   -  8.4-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 2972 from c13no.peaks (0.27, 3.66, 60.59 ppm; 5.20 A increased from 4.62 A):
    1 out of 3 assignments used, quality = 0.94:
      QD1   LEU   73 + HA    MET   83  OK    94    99  95 100  4.3-5.1   1924=99, 2.1/2973=94, 2963/3.0=76, 1081/3.6=65...(20)
      QD2   LEU   62 - HA    MET   83  far    0    96   0   -  9.7-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2973 from c13no.peaks (-0.64, 3.66, 60.59 ppm; 4.24 A increased from 3.99 A):
    1 out of 1 assignment used, quality = 0.95:
      QD2   LEU   73 + HA    MET   83  OK    95   100  95 100  3.4-4.2   1784=93, 1782/1640=57, 2964/3.0=52, 2.1/1924=52...(17)
    Violated in 3 structures by 0.03 A.
 
    Peak 2974 from c13no.peaks (0.70, 3.66, 60.59 ppm; 3.71 A):
    0 out of 1 assignment used, quality = 0.00:
    Violated in 20 structures by 2.84 A.
 
    Peak 2975 from c13no.peaks (0.90, 3.66, 60.59 ppm; 4.08 A):
    1 out of 5 assignments used, quality = 0.90:
      QD2   LEU   86 + HA    MET   83  OK    90    98 100  91  3.1-3.9   2.1/3062=73, 1098/382=52, 3.1/2976=14, 2.1/2976=12
      QG2   VAL   77 - HA    MET   83  far    0    95   0   -  6.8-7.4
      QG1   VAL   88 - HA    MET   83  far    0    99   0   -  6.9-8.7
      QG1   VAL   77 - HA    MET   83  far    0   100   0   -  9.4-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2976 from c13no.peaks (1.78, 3.66, 60.59 ppm; 4.14 A increased from 3.48 A):
    3 out of 5 assignments used, quality = 1.00:
      QE    MET   83 + HA    MET   83  OK   100   100 100 100  4.0-4.1   1640=93, 2977/3.0=69, 3.3/2971=65, 1648/2.9=63...(13)
      HB2   LEU   86 + HA    MET   83  OK    43    96  48  94  2.5-4.7   3055/3062=63, 3.1/2975=60, 3.2/382=60
      HG    LEU   86 + HA    MET   83  OK    29    60  50  96  2.0-5.3   2.1/3062=74, 2.1/2975=73, 5.0/382=39
      QB    LEU   84 - HA    MET   83  far    0    81   0   -  5.3-5.5
      HG2   ARG   78 - HA    MET   83  far    0    99   0   -  6.6-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 2977 from c13no.peaks (1.78, 2.22, 33.87 ppm; 3.66 A):
    1 out of 6 assignments used, quality = 0.99:
      QE    MET   83 + HB2   MET   83  OK    99   100 100  99  1.9-2.1   4.2=65, 1640/3.0=46, 1648/4.0=38, 1636/3004=36...(13)
      HG    LEU   86 - HB2   MET   83  far    0    60   0   -  4.3-8.0
      HB2   LEU   86 - HB2   MET   83  far    0    96   0   -  4.6-7.4
      QB    LEU   84 - HB2   MET   83  far    0    81   0   -  4.7-5.1
      HG2   ARG   78 - HB2   MET   83  far    0    99   0   -  5.7-7.5
      HB3   ARG   74 - HB2   MET   83  far    0    81   0   -  8.3-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2978 from c13no.peaks (8.05, 3.66, 60.59 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   84 + HA    MET   83  OK   100   100 100 100  3.5-3.6   3.6=100
      H     ARG   78 - HA    MET   83  far    0    85   0   -  7.3-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 2979 from c13no.peaks (8.26, 3.66, 60.59 ppm; 4.01 A):
    1 out of 1 assignment used, quality = 0.87:
      H     MET   83 + HA    MET   83  OK    87    87 100 100  2.9-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2980 from c13no.peaks (8.05, 2.15, 31.51 ppm; 4.91 A increased from 4.63 A):
    1 out of 2 assignments used, quality = 0.95:
      H     LEU   84 + HG3   MET   83  OK    95   100  95 100  4.7-5.0   5.0=96, 1078/3.0=90, 3.6/2971=80, 353/2981=70...(15)
      H     ARG   78 - HG3   MET   83  far    0    85   0   -  5.9-6.5
    Violated in 1 structures by 0.01 A.
 
    Peak 2981 from c13no.peaks (8.25, 2.15, 31.51 ppm; 4.38 A):
    1 out of 1 assignment used, quality = 0.97:
      H     MET   83 + HG3   MET   83  OK    97    97 100 100  4.1-4.4   1068/1.8=91, 2.9/2971=77, 4.9=71, 1070/3.3=64...(16)
    Violated in 4 structures by 0.01 A.
 
    Peak 2982 from c13no.peaks (7.86, 2.60, 31.51 ppm; 5.50 A increased from 5.38 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLN   82 + HG2   MET   83  poor  18    92  20   -  5.5-5.8
      H     GLU   85 + HG2   MET   83  far    0    99   0   -  6.3-7.2
    Violated in 2 structures by 0.00 A.
 
    Peak 2983 from c13no.peaks (8.04, 2.60, 31.51 ppm; 5.03 A increased from 4.74 A):
    2 out of 2 assignments used, quality = 0.99:
      H     LEU   84 + HG2   MET   83  OK    97    97 100 100  4.8-5.1   5.0=100
      H     ARG   78 + HG2   MET   83  OK    71    97  75  98  4.5-5.4   1022=74, 4.0/2946=68, 4.0/2780=53, 1647/3.3=38
    Violated in 0 structures by 0.00 A.
 
    Peak 2984 from c13no.peaks (8.24, 2.60, 31.51 ppm; 4.11 A):
    1 out of 1 assignment used, quality = 1.00:
      H     MET   83 + HG2   MET   83  OK   100   100 100 100  3.4-3.6   1068=100, 2981/1.8=67, 2.9/311=65, 1070/3.3=59...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2985 from c13no.peaks (8.04, 1.66, 33.87 ppm; 4.21 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   84 + HB3   MET   83  OK    97    97 100 100  2.7-3.2   4.1=100
      H     ARG   78 - HB3   MET   83  far    0    97   0   -  5.2-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2986 from c13no.peaks (8.25, 1.66, 33.87 ppm; 4.29 A):
    1 out of 1 assignment used, quality = 0.97:
      H     MET   83 + HB3   MET   83  OK    97    97 100 100  2.1-3.4   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2987 from c13no.peaks (8.05, 2.22, 33.87 ppm; 4.24 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   84 + HB2   MET   83  OK   100   100 100 100  2.6-3.3   4.1=100
      H     ARG   78 - HB2   MET   83  far    0    85   0   -  5.1-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 2988 from c13no.peaks (8.24, 2.22, 33.87 ppm; 4.24 A):
    1 out of 1 assignment used, quality = 1.00:
      H     MET   83 + HB2   MET   83  OK   100   100 100 100  2.1-3.4   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 2990 from c13no.peaks (3.79, 1.66, 33.87 ppm; 4.54 A):
    2 out of 3 assignments used, quality = 0.99:
      HA    LYS   80 + HB3   MET   83  OK    98   100 100  98  2.9-4.6   1639/4.2=63, 2991/1.8=56, 2903/4.0=48, 2904/4.1=44...(7)
      HA    LEU   84 + HB3   MET   83  OK    31    71  45  97  3.8-5.0   ~1078=57, 6.1=42, ~3000=38, 4.0/2962=33...(9)
      HA    ARG   66 - HB3   MET   83  far    0    96   0   -  7.2-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2991 from c13no.peaks (3.79, 2.22, 33.87 ppm; 4.54 A):
    2 out of 3 assignments used, quality = 0.98:
      HA    LYS   80 + HB2   MET   83  OK    97   100  98  99  2.6-4.4   1639/2977=72, 2990/1.8=59, 2861/3004=52, 2903/4.0=48...(7)
      HA    LEU   84 + HB2   MET   83  OK    39    71  55  99  3.8-5.0   3.0/1078=79, 4.0/3004=58, 6.1=41, 2.5/3000=38...(10)
      HA    ARG   66 - HB2   MET   83  far    0    96   0   -  7.3-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2992 from c13no.peaks (0.74, 1.82, 28.93 ppm; 2.98 A):
    1 out of 5 assignments used, quality = 1.00:
      QD1   LEU   84 + HG    LEU   84  OK   100   100 100 100  2.1-2.1   2.1=100
      QD1   LEU   87 - HG    LEU   84  far    0   100   0   -  3.8-5.5
      QD1   LEU   65 - HG    LEU   84  far    0    97   0   -  7.0-9.6
      QD2   LEU   89 - HG    LEU   84  far    0    99   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 2993 from c13no.peaks (0.28, 1.82, 28.93 ppm; 4.62 A increased from 3.89 A):
    1 out of 4 assignments used, quality = 1.00:
      QD1   LEU   73 + HG    LEU   84  OK   100   100 100 100  3.3-4.6   2997/2.1=85, 2939/321=75, ~3067=62, 2940/3.7=58...(15)
      QD2   LEU   62 - HG    LEU   84  far    0    99   0   -  6.7-8.7
      HB3   ARG   44 - HG    LEU   84  far    0    89   0   -  9.2-13.3
    Violated in 1 structures by 0.00 A.
 
    Peak 2994 from c13no.peaks (1.76, 0.74, 25.37 ppm; 2.70 A increased from 2.40 A):
    2 out of 10 assignments used, quality = 1.00:
      QB    LEU   84 + QD1   LEU   84  OK   100   100 100 100  2.3-2.6   2.3=100
      QE    MET   83 + QD1   LEU   84  OK    69    93  80  92  2.6-2.9   1636=52, 1782/3067=23, 4.2/3004=21, 1070/1074=18...(15)
     ?HB3   LEU   73 - QD1   LEU   84  poor  18    28  65   -  2.4-4.8
      HG2   ARG   70 - QD1   LEU   84  far    0    92   0   -  3.1-4.0
      QD    LYS   80 - QD1   LEU   84  far    0    87   0   -  4.7-5.6
      HB2   LEU   86 - QD1   LEU   84  far    0   100   0   -  5.1-6.9
      HG2   ARG   78 - QD1   LEU   84  far    0    98   0   -  7.5-8.5
      QB    ARG   48 - QD1   LEU   84  far    0    76   0   -  9.4-10.5
      HG    LEU   89 - QD1   LEU   84  far    0    63   0   -  9.7-10.8
      HB2   LEU   62 - QD1   LEU   84  far    0    99   0   -  9.8-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 2995 from c13no.peaks (1.82, 0.74, 25.37 ppm; 2.40 A):
    1 out of 6 assignments used, quality = 1.00:
      HG    LEU   84 + QD1   LEU   84  OK   100   100 100 100  2.1-2.1   2.1=100
      HG    LEU   87 - QD1   LEU   84  far    0    95   0   -  4.5-5.4
      HG    LEU   86 - QD1   LEU   84  far    0    90   0   -  5.3-8.0
      HB3   ARG   74 - QD1   LEU   84  far    0    73   0   -  5.8-6.9
      HG3   PRO  112 - QD1   LEU   84  far    0   100   0   -  7.8-8.6
      HG2   GLN   91 - QD1   LEU   84  far    0    90   0   -  8.3-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 2996 from c13no.peaks (3.62, 0.74, 25.37 ppm; 3.24 A):
    1 out of 1 assignment used, quality = 0.95:
      HA    ARG   70 + QD1   LEU   84  OK    95    98 100  97  1.9-2.5   2.5/2573=44, 2.9/990=39, 1195/2574=31, 3.8/2572=26...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 2997 from c13no.peaks (0.28, 0.74, 25.37 ppm; 2.74 A):
    1 out of 4 assignments used, quality = 0.93:
      QD1   LEU   73 + QD1   LEU   84  OK    93   100 100  93  1.7-2.2   2.1/3067=37, 1918=36, 2939/2.3=24, 2993/2.1=21...(14)
     ?HB3   LEU   73 - QD1   LEU   84  poor  16    39  75  53  2.4-4.8   1635/1636=43, 1777/3067=12, 2969/3004=6
      QD2   LEU   62 - QD1   LEU   84  far    0    99   0   -  7.0-7.9
      HB3   ARG   44 - QD1   LEU   84  far    0    89   0   -  7.5-9.3
    Violated in 1 structures by 0.00 A.
 
    Peak 2998 from c13no.peaks (0.89, 1.76, 41.15 ppm; 4.20 A increased from 3.74 A):
    1 out of 4 assignments used, quality = 0.83:
      QG1   VAL   88 + QB    LEU   84  OK    83    95  95  92  3.1-4.2   2.1/3001=61, 3.9/3015=37, 3.2/3138=31, 6.5/3011=23...(8)
      QD2   LEU   86 - QB    LEU   84  far    0   100   0   -  5.6-6.4
      QG2   VAL   77 - QB    LEU   84  far    0    99   0   -  8.8-9.7
    Violated in 2 structures by 0.00 A.
 
    Peak 2999 from c13no.peaks (1.35, 1.76, 41.15 ppm; 3.32 A):
    0 out of 4 assignments used, quality = 0.00:
      HB3   LEU   65 + QB    LEU   84  far    0   100   0   -  4.8-6.1
      HB3   LEU   86 + QB    LEU   84  far    0    96   0   -  5.8-6.7
      HB3   LEU   89 + QB    LEU   84  far    0    89   0   -  6.3-7.1
    Violated in 20 structures by 1.40 A.
 
    Peak 3000 from c13no.peaks (2.20, 1.76, 41.15 ppm; 5.12 A increased from 4.10 A):
    1 out of 3 assignments used, quality = 0.76:
      HB2   MET   83 + QB    LEU   84  OK    76    76 100 100  4.7-5.1   3004/2.3=98, 1078/1079=92, 4.0/3014=63, 6.0=61...(16)
      HG3   GLU   81 - QB    LEU   84  poor  11    76  30  48  4.8-6.0   7.7/3014=27, 2914/8.6=16, 7.2/284=14
      HG3   GLU  113 - QB    LEU   84  far    0    65   0   -  7.8-9.0
    Violated in 1 structures by 0.00 A.
 
    Peak 3001 from c13no.peaks (2.35, 1.76, 41.15 ppm; 4.68 A increased from 4.16 A):
    1 out of 3 assignments used, quality = 0.68:
      HB    VAL   88 + QB    LEU   84  OK    68    71 100  97  3.5-4.5   2.1/2998=84, 4.0/3015=47, 3.0/3138=41, 7.3/3011=24
      HB2   LEU   87 - QB    LEU   84  far   12    81  15   -  4.5-5.6
      HG2   GLU   67 - QB    LEU   84  far    0    68   0   -  7.6-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3002 from c13no.peaks (2.59, 0.74, 25.37 ppm; 3.84 A):
    1 out of 3 assignments used, quality = 0.87:
      HB2   CYS   69 + QD1   LEU   84  OK    87    97  95  95  2.8-3.9   4.3/990=39, 2563=31, 3005/2.3=30, 1.8/2560=25...(14)
      HG2   MET   83 - QD1   LEU   84  far    0   100   0   -  4.9-5.2
      HD3   ARG   44 - QD1   LEU   84  far    0    87   0   -  8.6-10.0
    Violated in 4 structures by 0.02 A.
 
    Peak 3003 from c13no.peaks (2.36, 0.74, 25.37 ppm; 3.81 A):
    0 out of 2 assignments used, quality = 0.00:
      HG2   GLU   67 + QD1   LEU   84  far    0    89   0   -  7.2-8.2
      HG2   GLU   76 + QD1   LEU   84  far    0    57   0   -  7.6-10.0
    Violated in 20 structures by 3.59 A.
 
    Peak 3004 from c13no.peaks (2.20, 0.74, 25.37 ppm; 3.40 A):
    1 out of 3 assignments used, quality = 0.82:
      HB2   MET   83 + QD1   LEU   84  OK    82    85 100  96  2.4-3.2   1078/1080=47, 4.0/1074=31, 2977/1636=29, 1.8/2962=28...(13)
      HG3   GLU   81 - QD1   LEU   84  far    0    85   0   -  5.1-6.7
      HB    VAL   77 - QD1   LEU   84  far    0    97   0   -  9.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3005 from c13no.peaks (2.58, 1.76, 41.15 ppm; 5.50 A increased from 5.17 A):
    1 out of 2 assignments used, quality = 0.68:
      HB2   CYS   69 + QB    LEU   84  OK    68    73 100  93  3.0-5.3   3002/2.3=87, ~2560=33, ~2556=22
      HG2   MET   83 - QB    LEU   84  far    0    87   0   -  6.7-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3006 from c13no.peaks (4.00, 0.74, 25.37 ppm; 4.49 A increased from 3.59 A):
    1 out of 4 assignments used, quality = 0.97:
      HD2   PRO   75 + QD1   LEU   84  OK    97   100  98 100  3.3-4.5   2683=82, 2.9/2697=71, 2687/2996=64, 1.8/2680=62...(11)
      HB3   SER   79 - QD1   LEU   84  far    0    99   0   -  5.8-7.3
      HA    GLN   71 - QD1   LEU   84  far    0    68   0   -  6.0-6.6
      HA    PRO  112 - QD1   LEU   84  far    0    71   0   -  9.9-10.6
    Violated in 2 structures by 0.02 A.
 
    Peak 3007 from c13no.peaks (4.34, 0.74, 25.37 ppm; 4.94 A increased from 3.95 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    PRO   75 + QD1   LEU   84  OK    99    99 100 100  4.2-4.9   2695=91, 2.2/2697=90, 3.6/3006=67, 1643/1636=52...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 3008 from c13no.peaks (4.20, 1.76, 41.15 ppm; 4.19 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    GLU   67 + QB    LEU   84  far    0    93   0   -  5.7-6.9
      HA    LEU   86 + QB    LEU   84  far    0    99   0   -  6.6-6.8
    Violated in 20 structures by 1.51 A.
 
    Peak 3009 from c13no.peaks (7.20, 1.76, 41.15 ppm; 4.60 A increased from 3.87 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   86 + QB    LEU   84  OK    99    99 100 100  4.3-4.5   358/1087=74, 383/2.5=74, 361/1079=66, 3023/2.3=59...(14)
      HZ    PHE   47 - QB    LEU   84  far    0    90   0   -  5.9-6.8
    Violated in 1 structures by 0.00 A.
 
    Peak 3011 from c13no.peaks (7.58, 1.76, 41.15 ppm; 4.88 A increased from 4.34 A):
    1 out of 1 assignment used, quality = 0.89:
      H     LEU   87 + QB    LEU   84  OK    89    97  93 100  4.4-5.0   3017/2.5=79, 363/3009=64, 357/1087=60, 364/3015=54...(12)
    Violated in 2 structures by 0.02 A.
 
    Peak 3012 from c13no.peaks (7.87, 1.76, 41.15 ppm; 3.74 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLU   85 + QB    LEU   84  OK   100   100 100 100  2.1-2.5   1087=93, 354/1079=68, 3024/2.3=51, 358/3009=38...(15)
      H     GLN   82 - QB    LEU   84  far    0    73   0   -  4.5-5.0
      HE21  GLN   71 - QB    LEU   84  far    0    97   0   -  8.7-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3013 from c13no.peaks (8.05, 1.76, 41.15 ppm; 3.23 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   84 + QB    LEU   84  OK   100   100 100 100  2.2-2.7   1079=99, 3025/2.3=59, 354/1087=44, 3022/321=43...(15)
      H     ARG   78 - QB    LEU   84  far    0    68   0   -  9.1-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3014 from c13no.peaks (8.26, 1.76, 41.15 ppm; 4.68 A):
    1 out of 1 assignment used, quality = 0.90:
      H     MET   83 + QB    LEU   84  OK    90    90 100 100  4.2-4.6   353/1079=88, 1074/2.3=74, 356/1087=58, 5.9=51...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3015 from c13no.peaks (8.97, 1.76, 41.15 ppm; 5.25 A):
    1 out of 1 assignment used, quality = 0.93:
      H     VAL   88 + QB    LEU   84  OK    93    93 100 100  3.7-4.3   3020/2.5=77, 3.9/2998=73, 364/3011=67, 4.0/3001=67...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 3016 from c13no.peaks (7.20, 3.76, 59.70 ppm; 5.03 A):
    1 out of 3 assignments used, quality = 0.93:
      H     LEU   86 + HA    LEU   84  OK    93    93 100 100  3.7-4.1   383=86, 358/3.6=84, 3009/2.5=78, 361/3.0=70...(14)
      HZ    PHE   47 - HA    LEU   84  far    0    73   0   -  5.6-6.3
      HD1   TRP   72 - HA    LEU   84  far    0    65   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3017 from c13no.peaks (7.59, 3.76, 59.70 ppm; 4.35 A):
    1 out of 1 assignment used, quality = 0.85:
      H     LEU   87 + HA    LEU   84  OK    85    85 100 100  3.2-3.7   1104/3123=60, 3011/2.5=56, 4.0/3131=48, 357/3.6=45...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3018 from c13no.peaks (7.87, 3.76, 59.70 ppm; 4.62 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU   85 + HA    LEU   84  OK   100   100 100 100  3.5-3.6   3.6=100
      H     GLN   82 - HA    LEU   84  far    0    73   0   -  6.5-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3019 from c13no.peaks (8.05, 3.76, 59.70 ppm; 3.91 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   84 + HA    LEU   84  OK   100   100 100 100  2.7-2.8   3.0=100
      H     ARG   78 - HA    LEU   84  far    0    68   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3020 from c13no.peaks (8.97, 3.76, 59.70 ppm; 5.03 A):
    1 out of 1 assignment used, quality = 0.93:
      H     VAL   88 + HA    LEU   84  OK    93    93 100 100  3.3-3.9   1123/3123=75, 3015/2.5=68, 364/3017=62, 4.4/3131=58...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3021 from c13no.peaks (7.88, 1.82, 28.93 ppm; 5.18 A increased from 4.14 A):
    1 out of 2 assignments used, quality = 0.97:
      H     GLU   85 + HG    LEU   84  OK    97    97 100 100  3.8-5.1   1087/2.5=97, 5.2=96, 3024/2.1=92, 354/3022=82...(9)
      HE21  GLN   71 - HG    LEU   84  far    0    85   0   -  7.5-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3022 from c13no.peaks (8.05, 1.82, 28.93 ppm; 4.00 A increased from 3.56 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   84 + HG    LEU   84  OK    97   100  98 100  2.1-4.0   1079/321=90, 3025/2.1=85, 5.3=44, 354/3021=38...(12)
      H     ARG   78 - HG    LEU   84  far    0    68   0   -  8.5-10.8
    Violated in 2 structures by 0.00 A.
 
    Peak 3023 from c13no.peaks (7.20, 0.74, 25.37 ppm; 5.14 A increased from 4.57 A):
    1 out of 3 assignments used, quality = 0.93:
      H     LEU   86 + QD1   LEU   84  OK    93    93 100 100  4.8-5.1   3009/2.3=82, 358/3024=73, 361/1080=68, 383/4.0=64...(9)
      HZ    PHE   47 - QD1   LEU   84  far    0    73   0   -  6.0-7.1
      HD1   TRP   72 - QD1   LEU   84  far    0    65   0   -  7.2-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3024 from c13no.peaks (7.88, 0.74, 25.37 ppm; 4.33 A increased from 4.08 A):
    1 out of 3 assignments used, quality = 0.97:
      H     GLU   85 + QD1   LEU   84  OK    97    97 100 100  4.0-4.3   1087/2.3=90, 354/1080=74, 1091=62, 3021/2.1=54...(14)
      HE21  GLN   71 - QD1   LEU   84  far    0    85   0   -  7.2-8.4
      H     ALA   43 - QD1   LEU   84  far    0    73   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3025 from c13no.peaks (8.05, 0.74, 25.37 ppm; 3.34 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   84 + QD1   LEU   84  OK   100   100 100 100  1.8-2.2   1080=100, 1079/2.3=75, 3022/2.1=49, 1078/3004=45...(17)
      H     ARG   78 - QD1   LEU   84  far    0    68   0   -  6.5-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3026 from c13no.peaks (8.32, 0.74, 25.37 ppm; 4.22 A):
    1 out of 2 assignments used, quality = 0.57:
      H     ARG   74 + QD1   LEU   84  OK    57    63  93  99  3.7-4.3   314/2996=39, 4.8/3006=38, 5.5/3067=36, 5.5/2997=35...(15)
      H     GLN   71 - QD1   LEU   84  far    0    93   0   -  4.5-5.2
    Violated in 4 structures by 0.01 A.
 
    Peak 3027 from c13no.peaks (8.66, 0.74, 25.37 ppm; 4.74 A):
    0 out of 3 assignments used, quality = 0.00:
      H     ARG   66 + QD1   LEU   84  far    0    87   0   -  5.9-6.7
      H     LEU   65 + QD1   LEU   84  far    0    60   0   -  7.9-8.6
      HE    ARG   44 + QD1   LEU   84  far    0    71   0   -  8.5-11.4
    Violated in 20 structures by 1.37 A.
 
    Peak 3028 from c13no.peaks (0.75, 2.22, 37.34 ppm; 4.27 A):
    0 out of 4 assignments used, quality = 0.00:
      QD1   LEU   84 + HG3   GLU   81  far    0    96   0   -  5.1-6.7
      QD1   LEU   87 + HG3   GLU   81  far    0    96   0   -  8.2-9.1
      QD2   LEU   89 + HG3   GLU   81  far    0    93   0   -  9.9-12.7
    Violated in 20 structures by 1.74 A.
 
    Peak 3029 from c13no.peaks (0.75, 2.42, 37.34 ppm; 5.38 A increased from 4.31 A):
    1 out of 8 assignments used, quality = 0.48:
      QD1   LEU   87 + HG2   GLU   85  OK    48    58  95  86  5.0-5.4   3123/7.3=37, 3117/7.5=34, 1091/1085=30, 3097/8.0=27...(6)
      QD1   LEU   84 - HG2   GLU   85  far    0    58   0   -  5.5-6.0
      QD1   LEU   84 - HG2   GLU   81  far    0    96   0   -  5.9-7.7
      QD2   LEU   89 - HG2   GLU   85  far    0    56   0   -  6.9-8.1
      QD1   LEU   87 - HG2   GLU   81  far    0    96   0   -  8.2-9.8
      QD1   LEU   65 - HG2   GLU   81  far    0   100   0   -  8.9-12.7
      QD1   LEU   65 - HG2   GLU   85  far    0    65   0   -  9.0-10.7
    Violated in 2 structures by 0.08 A.
 
    Peak 3030 from c13no.peaks (0.91, 2.26, 37.34 ppm; 4.03 A):
    1 out of 4 assignments used, quality = 0.64:
      QD2   LEU   86 + HG3   GLU   85  OK    64    68 100  94  2.1-2.7   3031/1.8=67, 2.1/3057=48, 1098/5.1=27, 6.3/325=24...(7)
      QG1   VAL   88 - HG3   GLU   85  far    0    98   0   -  4.7-6.9
      QD1   LEU   93 - HG3   GLU   85  far    0    85   0   -  8.7-9.8
    Violated in 1 structures by 0.00 A.
 
    Peak 3031 from c13no.peaks (0.91, 2.39, 37.34 ppm; 4.35 A):
    1 out of 6 assignments used, quality = 0.64:
      QD2   LEU   86 + HG2   GLU   85  OK    64    68  98  97  2.8-3.6   3030/1.8=85, ~3057=44, 1098/5.1=32, 7.3/3040=21...(6)
      QG1   VAL   88 - HG2   GLU   85  far    0    98   0   -  4.9-6.9
      QG1   VAL   88 - HG2   GLU   81  far    0    61   0   -  6.2-9.5
      QD2   LEU   86 - HG2   GLU   81  far    0    37   0   -  7.4-9.7
      QD1   LEU   93 - HG2   GLU   85  far    0    85   0   - 10.0-11.0
    Violated in 1 structures by 0.01 A.
 
    Peak 3032 from c13no.peaks (0.92, 4.07, 59.70 ppm; 3.76 A):
    1 out of 3 assignments used, quality = 0.85:
      QG1   VAL   88 + HA    GLU   85  OK    85    90 100  94  1.7-3.8   2.1/3151=72, 3033/2.5=42, 3.9/3045=41, ~1089=27...(6)
      QD1   LEU   93 - HA    GLU   85  far    0    96   0   -  7.9-8.9
    Violated in 2 structures by 0.01 A.
 
    Peak 3033 from c13no.peaks (0.92, 2.12, 30.55 ppm; 4.87 A increased from 4.59 A):
    1 out of 4 assignments used, quality = 0.89:
      QG1   VAL   88 + QB    GLU   85  OK    89    90 100  99  3.2-4.9   3032/2.5=90, ~3151=63, ~1089=43, 2998/5.1=17...(6)
      QD1   LEU   93 - QB    GLU   85  far    0    96   0   -  7.4-8.3
      QD2   LEU  118 - QB    GLU   85  far    0    99   0   -  9.3-9.7
    Violated in 2 structures by 0.01 A.
 
    Peak 3034 from c13no.peaks (4.46, 2.39, 37.34 ppm; 4.82 A):
    0 out of 4 assignments used, quality = 0.00:
      HB2   SER   79 + HG2   GLU   81  poor  17    52  33   -  2.6-8.0
      HA    SER   79 + HG2   GLU   81  far    0    52   0   -  5.1-7.9
      HB2   SER   79 + HG2   GLU   85  far    0    89   0   -  6.1-8.4
      HA    SER   79 + HG2   GLU   85  far    0    89   0   -  8.4-8.8
    Violated in 15 structures by 0.70 A.
 
    Peak 3035 from c13no.peaks (4.46, 2.26, 37.34 ppm; 4.91 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   SER   79 + HG3   GLU   85  far    0    89   0   -  7.8-10.0
      HA    SER   79 + HG3   GLU   85  far    0    89   0   -  8.6-10.5
    Violated in 20 structures by 3.35 A.
 
    Peak 3036 from c13no.peaks (7.45, 2.26, 37.34 ppm; 4.58 A):
    0 out of 1 assignment used, quality = 0.00:
      H     SER  111 + HG3   GLU   85  far    0   100   0   -  8.1-8.9
    Violated in 20 structures by 3.94 A.
 
    Peak 3037 from c13no.peaks (7.85, 2.26, 37.34 ppm; 3.91 A):
    1 out of 3 assignments used, quality = 0.82:
      H     GLU   85 + HG3   GLU   85  OK    82    83 100  99  1.8-3.8   3040/1.8=81, 3.0/325=63, 5.0=49, 358/5.1=30...(11)
      H     GLN   82 - HG3   GLU   85  far    0   100   0   -  4.0-6.3
      H     GLU  114 - HG3   GLU   85  far    0    76   0   -  8.6-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3039 from c13no.peaks (7.46, 2.39, 37.34 ppm; 4.72 A):
    0 out of 1 assignment used, quality = 0.00:
      H     SER  111 + HG2   GLU   85  far    0    99   0   -  8.3-10.0
    Violated in 20 structures by 4.88 A.
 
    Peak 3040 from c13no.peaks (7.86, 2.39, 37.34 ppm; 3.57 A):
    1 out of 4 assignments used, quality = 0.93:
      H     GLU   85 + HG2   GLU   85  OK    93    96 100  97  2.4-2.6   1085=75, 3037/1.8=62, ~325=32, 358/5.1=28...(9)
      H     GLN   82 - HG2   GLU   81  poor  16    60  28   -  2.3-5.3
      H     GLN   82 - HG2   GLU   85  far    0    97   0   -  4.1-4.6
      H     GLU   85 - HG2   GLU   81  far    0    58   0   -  5.6-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3041 from c13no.peaks (7.46, 2.12, 30.55 ppm; 4.20 A):
    0 out of 1 assignment used, quality = 0.00:
      H     SER  111 + QB    GLU   85  far    0    99   0   -  6.3-7.0
    Violated in 20 structures by 2.51 A.
 
    Peak 3042 from c13no.peaks (7.84, 2.12, 30.55 ppm; 3.89 A):
    1 out of 3 assignments used, quality = 0.65:
      H     GLU   85 + QB    GLU   85  OK    65    65 100 100  2.3-2.4   3.4=100
      H     GLN   82 - QB    GLU   85  far    0   100   0   -  4.9-5.2
      H     GLU  114 - QB    GLU   85  far    0    90   0   -  6.2-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3043 from c13no.peaks (8.93, 2.12, 30.55 ppm; 5.06 A increased from 4.76 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLU  113 - QB    GLU   85  lone  11   100 100  11  4.3-5.0   5.0/3784=11
      H     GLY  110 - QB    GLU   85  far    0    99   0   -  8.2-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3044 from c13no.peaks (7.85, 4.07, 59.70 ppm; 3.65 A):
    1 out of 3 assignments used, quality = 0.83:
      H     GLU   85 + HA    GLU   85  OK    83    83 100 100  2.7-2.8   3.0=100
      H     GLN   82 - HA    GLU   85  far    0   100   0   -  7.0-7.2
      H     GLU  114 - HA    GLU   85  far    0    76   0   -  7.4-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3045 from c13no.peaks (8.96, 4.07, 59.70 ppm; 4.05 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL   88 + HA    GLU   85  OK   100   100 100 100  3.5-3.9   372=98, 1121/3151=62, 3.9/3032=52, 362/3.6=47...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3046 from c13no.peaks (1.33, 4.19, 58.51 ppm; 3.63 A):
    1 out of 4 assignments used, quality = 0.99:
      HB3   LEU   86 + HA    LEU   86  OK    99    99 100 100  2.7-3.0   2.9=100
      HB3   LEU   89 - HA    LEU   86  far    0   100   0   -  3.8-4.5
      HB3   LEU   65 - HA    LEU   86  far    0    89   0   -  9.2-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3047 from c13no.peaks (0.69, 1.34, 41.68 ppm; 3.64 A):
    1 out of 2 assignments used, quality = 0.78:
      QD1   LEU   86 + HB3   LEU   86  OK    78    78 100 100  1.9-2.4   3.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3048 from c13no.peaks (0.89, 1.34, 41.68 ppm; 3.40 A):
    1 out of 4 assignments used, quality = 1.00:
      QD2   LEU   86 + HB3   LEU   86  OK   100   100 100 100  2.8-3.2   3.1=100
      QG1   VAL   88 - HB3   LEU   86  far    0    83   0   -  5.8-7.8
      QG2   VAL   77 - HB3   LEU   86  far    0   100   0   -  8.8-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3049 from c13no.peaks (0.74, 0.89, 23.10 ppm; 2.40 A):
    0 out of 7 assignments used, quality = 0.00:
      QD1   LEU   87 + QD2   LEU   86  far    0    99   0   -  4.0-4.6
      QD1   LEU   84 + QD2   LEU   86  far    0    99   0   -  5.7-6.7
      QD2   LEU   89 + QD2   LEU   86  far    0    99   0   -  6.0-6.7
      QD2   LEU   45 + QD2   LEU  422  far    0    65   0   -  8.3-04.3
      QD1   LEU   65 + QD2   LEU   86  far    0    99   0   -  8.8-10.2
      QD2   LEU   89 + QD2   LEU  122  far    0    75   0   -  9.6-10.5
    Violated in 20 structures by 1.77 A.
 
    Peak 3050 from c13no.peaks (1.81, 0.89, 23.10 ppm; 2.75 A):
    2 out of 9 assignments used, quality = 1.00:
      HG    LEU   86 + QD2   LEU   86  OK   100   100 100 100  2.1-2.1   2.1=100
      HG2   ARG  103 + QD2   LEU  122  OK    32    54  78  76  2.0-3.1   3555=20, ~3546=18, ~4007=17, 2.5/4008=17...(11)
      HG2   ARG  123 - QD2   LEU  122  far    2    72   3   -  2.7-5.4
      HB3   ARG  124 - QD2   LEU  122  far    0    71   0   -  3.8-7.8
      HB    ILE  100 - QD2   LEU  122  far    0    77   0   -  4.4-4.9
      HB3   GLU   41 - QD2   LEU  422  far    0    66   0   -  5.6-21.3
      HG    LEU   87 - QD2   LEU   86  far    0   100   0   -  6.7-7.0
      HG3   PRO  112 - QD2   LEU   86  far    0    97   0   -  6.8-7.8
      HG    LEU   84 - QD2   LEU   86  far    0    99   0   -  7.3-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3051 from c13no.peaks (1.34, 0.89, 23.10 ppm; 3.39 A):
    1 out of 6 assignments used, quality = 1.00:
      HB3   LEU   86 + QD2   LEU   86  OK   100   100 100 100  2.8-3.2   3.1=100
      HB3   LEU   89 - QD2   LEU   86  far    0    99   0   -  4.9-5.5
      HB3   LEU   65 - QD2   LEU   86  far    0    98   0   -  9.5-10.6
      HB3   LEU   93 - QD2   LEU   86  far    0    60   0   -  9.8-11.2
      HB3   LEU   93 - QD2   LEU  122  far    0    40   0   - 10.0-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3052 from c13no.peaks (2.31, 0.89, 23.10 ppm; 3.72 A):
    0 out of 7 assignments used, quality = 0.00:
      QG    GLU  125 + QD2   LEU  122  far    2    78   3   -  3.0-9.1
      HG2   PRO   97 + QD2   LEU  122  far    0    56   0   -  5.2-6.3
      HB2   PRO  126 + QD2   LEU  122  far    0    76   0   -  6.0-12.9
      HB    VAL   88 + QD2   LEU   86  far    0    87   0   -  6.1-8.6
      HB2   LEU   87 + QD2   LEU   86  far    0    78   0   -  6.5-6.9
      QB    GLN  107 + QD2   LEU  122  far    0    76   0   -  6.7-7.8
      HG2   GLU   41 + QD2   LEU  422  far    0    72   0   -  6.8-19.5
    Violated in 19 structures by 1.07 A.
 
    Peak 3053 from c13no.peaks (1.34, 0.67, 25.37 ppm; 3.39 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   86 + QD1   LEU   86  OK   100   100 100 100  1.9-2.4   3.1=100
      HB3   LEU   89 - QD1   LEU   86  far    0    99   0   -  7.0-7.4
      HB3   LEU   65 - QD1   LEU   86  far    0    98   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3054 from c13no.peaks (1.81, 0.67, 25.37 ppm; 2.91 A):
    1 out of 4 assignments used, quality = 1.00:
      HG    LEU   86 + QD1   LEU   86  OK   100   100 100 100  2.1-2.1   2.1=100
      HG    LEU   87 - QD1   LEU   86  far    0   100   0   -  5.3-5.7
      HG    LEU   84 - QD1   LEU   86  far    0    99   0   -  6.6-8.3
      HG3   PRO  112 - QD1   LEU   86  far    0    97   0   -  8.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3055 from c13no.peaks (1.77, 0.67, 25.37 ppm; 2.89 A):
    1 out of 6 assignments used, quality = 0.97:
      HB2   LEU   86 + QD1   LEU   86  OK    97    99 100  98  2.1-2.5   3.1=83, 3.2/3080=29, ~827=19, ~3559=18...(17)
      QE    MET   83 - QD1   LEU   86  far    0   100   0   -  4.3-5.4
      QB    LEU   84 - QD1   LEU   86  far    0    90   0   -  5.5-6.7
      HG2   ARG   78 - QD1   LEU   86  far    0   100   0   -  6.1-6.8
      HG2   ARG   70 - QD1   LEU   86  far    0    65   0   -  9.6-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3056 from c13no.peaks (2.16, 0.67, 25.37 ppm; 4.14 A):
    1 out of 2 assignments used, quality = 0.88:
      HG3   MET   83 + QD1   LEU   86  OK    88    99 100  89  2.0-3.3   1.8/3058=65, 4.1/3062=53, 2803/2809=21, 2954/6.9=12
      QG    GLU   90 - QD1   LEU   86  far    0    89   0   -  6.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3057 from c13no.peaks (2.26, 0.67, 25.37 ppm; 5.05 A increased from 4.04 A):
    1 out of 3 assignments used, quality = 1.00:
      HG3   GLU   85 + QD1   LEU   86  OK   100   100 100 100  4.2-4.8   3030/2.1=94, ~3031=68, 5.1/3080=57, 325/6.3=43...(7)
      HB2   LEU   89 - QD1   LEU   86  far    0    99   0   -  6.6-7.4
      HG3   GLU   76 - QD1   LEU   86  far    0    68   0   -  9.7-12.9
    Violated in 1 structures by 0.00 A.
 
    Peak 3058 from c13no.peaks (2.62, 0.67, 25.37 ppm; 4.59 A):
    1 out of 3 assignments used, quality = 0.71:
      HG2   MET   83 + QD1   LEU   86  OK    71    73 100  96  2.9-4.5   1.8/3056=88, 4.1/3062=64, 2948/8.9=8, 2948/6.9=4
      HB2   CYS   69 - QD1   LEU   86  far    0    87   0   -  6.9-8.5
      HD3   ARG   44 - QD1   LEU   86  far    0    97   0   -  9.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3059 from c13no.peaks (2.75, 0.67, 25.37 ppm; 4.99 A increased from 3.99 A):
    1 out of 3 assignments used, quality = 0.82:
      HD3   ARG   78 + QD1   LEU   86  OK    82    83 100  99  4.5-4.9   1.8/3060=86, 2801=81, 2812/3062=44
      HB3   TRP   72 - QD1   LEU   86  far    0    97   0   -  9.5-11.1
      QB    PRO   40 - QD1   LEU   86  far    0    90   0   -  9.8-10.8
    Violated in 1 structures by 0.00 A.
 
    Peak 3060 from c13no.peaks (3.09, 0.67, 25.37 ppm; 4.73 A increased from 3.99 A):
    1 out of 3 assignments used, quality = 0.63:
      HD2   ARG   78 + QD1   LEU   86  OK    63    68 100  93  4.0-4.8   1.8/3059=73, 2809=65, 2803/3056=22
      HA    CYS   69 - QD1   LEU   86  far    0    65   0   -  8.4-9.8
      HE2   LYS   80 - QD1   LEU   86  far    0    99   0   -  9.1-10.7
    Violated in 1 structures by 0.00 A.
 
    Peak 3061 from c13no.peaks (3.23, 0.67, 25.37 ppm; 3.65 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    LEU   73 + QD1   LEU   86  far    0   100   0   -  7.0-7.7
      HD2   ARG   70 + QD1   LEU   86  far    0   100   0   - 10.0-12.5
    Violated in 20 structures by 3.64 A.
 
    Peak 3062 from c13no.peaks (3.68, 0.67, 25.37 ppm; 3.66 A):
    1 out of 1 assignment used, quality = 0.83:
      HA    MET   83 + QD1   LEU   86  OK    83    90 100  92  1.8-3.0   2975/2.1=53, 382/3080=39, 4.1/3056=37, 4.1/3058=32...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3063 from c13no.peaks (1.77, 1.34, 41.68 ppm; 3.07 A):
    1 out of 5 assignments used, quality = 0.99:
      HB2   LEU   86 + HB3   LEU   86  OK    99    99 100 100  1.8-1.8   1.8=100
      QE    MET   83 - HB3   LEU   86  far    0   100   0   -  5.7-7.0
      QB    LEU   84 - HB3   LEU   86  far    0    90   0   -  5.8-6.7
      HG2   ARG   78 - HB3   LEU   86  far    0   100   0   -  9.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3064 from c13no.peaks (1.82, 1.34, 41.68 ppm; 3.20 A):
    1 out of 5 assignments used, quality = 0.95:
      HG    LEU   86 + HB3   LEU   86  OK    95    95 100 100  2.3-2.5   2.9=100
      HG    LEU   87 - HB3   LEU   86  far    0    97   0   -  4.4-4.7
      HG    LEU   84 - HB3   LEU   86  far    0   100   0   -  7.3-8.9
      HG3   PRO  112 - HB3   LEU   86  far    0   100   0   -  8.9-10.2
      HG2   GLN   91 - HB3   LEU   86  far    0    85   0   - 10.0-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3065 from c13no.peaks (-0.66, 1.34, 41.68 ppm; 4.07 A):
    1 out of 1 assignment used, quality = 0.62:
      QD2   LEU   73 + HB3   LEU   86  OK    62    83 100  75  3.7-4.1   1788/1108=36, ~1100=25, 3134/6.6=18, 3133/6.6=18...(6)
    Violated in 2 structures by 0.00 A.
 
    Peak 3066 from c13no.peaks (-0.64, 1.81, 27.63 ppm; 4.41 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   73 + HG    LEU   86  far    0   100   0   -  4.6-5.7
    Violated in 20 structures by 0.99 A.
 
    Peak 3067 from c13no.peaks (-0.64, 0.74, 25.37 ppm; 3.69 A increased from 3.47 A):
    1 out of 1 assignment used, quality = 0.97:
      QD2   LEU   73 + QD1   LEU   84  OK    97   100  98 100  2.6-3.6   2.1/2997=77, 1782/1636=44, ~2939=32, ~2993=32...(18)
    Violated in 1 structures by 0.01 A.
 
    Peak 3068 from c13no.peaks (-0.64, 0.67, 25.37 ppm; 2.98 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   73 + QD1   LEU   86  far    0   100   0   -  3.3-3.9
    Violated in 20 structures by 0.72 A.
 
    Peak 3070 from c13no.peaks (1.36, 1.76, 41.68 ppm; 3.12 A):
    1 out of 4 assignments used, quality = 0.73:
      HB3   LEU   86 + HB2   LEU   86  OK    73    73 100 100  1.8-1.8   1.8=100
      HB3   LEU   89 - HB2   LEU   86  far    0    60   0   -  6.1-6.7
      HB3   LEU   65 - HB2   LEU   86  far    0    95   0   -  9.4-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3071 from c13no.peaks (7.19, 1.34, 41.68 ppm; 4.00 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   86 + HB3   LEU   86  OK   100   100 100 100  2.4-3.4   3.2=100
      HZ    PHE   47 - HB3   LEU   86  far    0    95   0   -  6.8-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3072 from c13no.peaks (7.39, 1.34, 41.68 ppm; 5.50 A increased from 4.79 A):
    0 out of 3 assignments used, quality = 0.00:
      HH2   TRP   72 + HB3   LEU   86  far   14    97  15   -  5.5-6.0
      QE    PHE   47 + HB3   LEU   86  far    0    87   0   -  6.7-7.2
      HZ2   TRP   72 + HB3   LEU   86  far    0    78   0   -  6.9-7.5
    Violated in 1 structures by 0.01 A.
 
    Peak 3073 from c13no.peaks (7.20, 1.76, 41.68 ppm; 3.93 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   86 + HB2   LEU   86  OK    97    97 100 100  2.0-3.6   3.2=100
      HZ    PHE   47 - HB2   LEU   86  far    0    83   0   -  7.4-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3074 from c13no.peaks (7.38, 1.76, 41.68 ppm; 5.00 A):
    0 out of 3 assignments used, quality = 0.00:
      HH2   TRP   72 + HB2   LEU   86  far    0    85   0   -  5.9-7.2
      HZ2   TRP   72 + HB2   LEU   86  far    0    93   0   -  7.2-8.5
      QE    PHE   47 + HB2   LEU   86  far    0    97   0   -  7.3-8.1
    Violated in 20 structures by 1.13 A.
 
    Peak 3075 from c13no.peaks (7.19, 1.81, 27.63 ppm; 3.52 A):
    1 out of 2 assignments used, quality = 0.50:
      H     LEU   86 + HG    LEU   86  OK    50   100  50 100  2.0-4.5   3077/2.1=64, 1099/2.1=56, 3.0/337=55, 5.0=35...(15)
      HZ    PHE   47 - HG    LEU   86  far    0    95   0   -  8.4-9.2
    Violated in 12 structures by 0.55 A.
 
    Peak 3076 from c13no.peaks (7.57, 1.81, 27.63 ppm; 5.02 A increased from 4.46 A):
    1 out of 1 assignment used, quality = 0.97:
      H     LEU   87 + HG    LEU   86  OK    97   100  98 100  4.0-5.0   359/3075=86, 1108/2.9=84, 3.6/337=84, 5.4=78...(11)
    Violated in 1 structures by 0.01 A.
 
    Peak 3077 from c13no.peaks (7.19, 0.89, 23.10 ppm; 3.61 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   86 + QD2   LEU   86  OK   100   100 100 100  1.9-3.1   1098=98, 3075/2.1=70, 3.0/827=69, 1099/2.1=59...(18)
      HZ    PHE   47 - QD2   LEU   86  far    0    95   0   -  7.9-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3078 from c13no.peaks (7.38, 0.89, 23.10 ppm; 4.06 A):
    0 out of 5 assignments used, quality = 0.00:
      H     ARG  103 + QD2   LEU  122  far    0    54   0   -  4.4-5.2
      H     ILE  100 + QD2   LEU  122  far    0    63   0   -  4.6-5.2
      HH2   TRP   72 + QD2   LEU   86  far    0    85   0   -  7.3-8.1
      QE    PHE   47 + QD2   LEU   86  far    0    97   0   -  7.9-8.3
      HZ2   TRP   72 + QD2   LEU   86  far    0    93   0   -  8.2-9.2
    Violated in 19 structures by 0.26 A.
 
    Peak 3079 from c13no.peaks (8.00, 0.89, 23.10 ppm; 3.48 A):
    0 out of 4 assignments used, quality = 0.00:
      H     ARG  124 + QD2   LEU  122  far    4    78   5   -  3.1-5.2
      H     ARG  108 + QD2   LEU  122  far    0    68   0   -  8.7-9.4
      H     ARG   78 + QD2   LEU   86  far    0    73   0   -  9.3-9.8
      H     LEU   73 + QD2   LEU   86  far    0    97   0   -  9.7-10.3
    Violated in 18 structures by 1.10 A.
 
    Peak 3080 from c13no.peaks (7.19, 0.67, 25.37 ppm; 3.98 A increased from 3.74 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU   86 + QD1   LEU   86  OK   100   100 100 100  2.9-4.0   1099=97, 3075/2.1=81, 3077/2.1=79, 3.2/3055=74...(19)
      HZ    PHE   47 - QD1   LEU   86  far    0    95   0   -  8.0-8.3
      HD1   TRP   72 - QD1   LEU   86  far    0    90   0   -  9.2-10.2
    Violated in 3 structures by 0.01 A.
 
    Peak 3081 from c13no.peaks (7.36, 0.67, 25.37 ppm; 4.64 A):
    0 out of 3 assignments used, quality = 0.00:
      HZ2   TRP   72 + QD1   LEU   86  far    0    98   0   -  6.3-7.2
      QE    PHE   47 + QD1   LEU   86  far    0    95   0   -  7.7-8.0
      H     TRP   72 + QD1   LEU   86  far    0    97   0   -  9.5-10.5
    Violated in 20 structures by 1.70 A.
 
    Peak 3082 from c13no.peaks (7.57, 0.67, 25.37 ppm; 4.89 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   87 + QD1   LEU   86  OK   100   100 100 100  4.1-4.8   4.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3083 from c13no.peaks (7.57, 1.34, 41.68 ppm; 4.45 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   87 + HB3   LEU   86  OK   100   100 100 100  2.2-3.1   4.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3084 from c13no.peaks (7.57, 1.76, 41.68 ppm; 4.18 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU   87 + HB2   LEU   86  OK   100   100 100 100  2.8-3.9   4.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3085 from c13no.peaks (7.36, 4.19, 58.51 ppm; 3.50 A):
    1 out of 4 assignments used, quality = 0.69:
      H     ARG  103 + HA    ARG  103  OK    69    69 100 100  2.8-2.9   3.0=100
      H     ILE  100 - HA    ARG  103  far    0    67   0   -  7.1-7.5
      QE    PHE   47 - HA    LEU   86  far    0    95   0   -  7.7-7.9
      HZ2   TRP   72 - HA    LEU   86  far    0    98   0   -  9.3-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3086 from c13no.peaks (7.19, 4.19, 58.51 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   86 + HA    LEU   86  OK   100   100 100 100  2.7-2.9   3.0=100
      HZ    PHE   47 - HA    LEU   86  far    0    95   0   -  7.2-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3087 from c13no.peaks (7.77, 4.19, 58.51 ppm; 5.19 A increased from 4.37 A):
    1 out of 1 assignment used, quality = 0.73:
      H     GLU   90 + HA    LEU   86  OK    73    73 100  99  4.6-5.2   408=69, 412/3088=62, 4.6/1886=59, 4.6/1888=58...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3088 from c13no.peaks (8.52, 4.19, 58.51 ppm; 4.67 A increased from 4.40 A):
    1 out of 3 assignments used, quality = 0.93:
      H     LEU   89 + HA    LEU   86  OK    93    97  98  98  4.2-4.7   366/3.6=59, 1131/1886=59, 4.0/1888=54, 404/408=47...(8)
      H     GLN  101 - HA    ARG  103  far    0    47   0   -  6.8-7.1
      H     GLY  127 - HA    ARG  103  far    0    34   0   -  9.5-21.4
    Violated in 1 structures by 0.01 A.
 
    Peak 3089 from c13no.peaks (7.12, 1.00, 24.39 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 0.78:
      HZ3   TRP   72 + QD2   LEU   87  OK    78    78 100 100  2.9-3.7   2.4/204=75, 215=69, 4.3/192=39, ~205=36...(10)
      HE3   TRP   72 - QD2   LEU   87  far    0    99   0   -  4.7-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3090 from c13no.peaks (7.39, 1.00, 24.39 ppm; 3.30 A):
    1 out of 3 assignments used, quality = 1.00:
      HH2   TRP   72 + QD2   LEU   87  OK   100   100 100 100  2.0-2.6   204=100, 205/2.1=51, 2.4/3089=50, 2.5/192=48...(9)
      QE    PHE   47 - QD2   LEU   87  far    0    65   0   -  3.7-4.4
      H     GLU   67 - QD2   LEU   87  far    0    99   0   -  9.4-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3091 from c13no.peaks (7.58, 1.00, 24.39 ppm; 3.60 A):
    1 out of 1 assignment used, quality = 0.97:
      H     LEU   87 + QD2   LEU   87  OK    97    97 100 100  1.9-2.9   1106=89, 1104/2.1=68, 3.0/847=63, 1110/3.1=55...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 3092 from c13no.peaks (7.74, 1.00, 24.39 ppm; 5.27 A increased from 4.96 A):
    1 out of 1 assignment used, quality = 0.93:
      H     GLU   90 + QD2   LEU   87  OK    93   100  95  98  4.9-5.1   407/847=81, 367/3093=58, 408/6.3=38, 404/7.5=33...(6)
    Violated in 2 structures by 0.01 A.
 
    Peak 3093 from c13no.peaks (8.97, 1.00, 24.39 ppm; 4.37 A):
    1 out of 1 assignment used, quality = 0.97:
      H     VAL   88 + QD2   LEU   87  OK    97    97 100 100  3.7-4.4   1123/2.1=81, 3.6/847=74, 5.0=68, 364/1106=68...(20)
    Violated in 3 structures by 0.00 A.
 
    Peak 3094 from c13no.peaks (7.14, 0.74, 27.63 ppm; 4.97 A increased from 4.42 A):
    1 out of 1 assignment used, quality = 0.57:
      HE3   TRP   72 + QD1   LEU   87  OK    57    57 100  99  3.9-4.8   4.3/205=67, ~3089=65, ~215=63, 2.5/216=39...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 3095 from c13no.peaks (7.39, 0.74, 27.63 ppm; 4.35 A):
    2 out of 4 assignments used, quality = 0.99:
      HH2   TRP   72 + QD1   LEU   87  OK    97    97 100 100  3.1-4.3   205=97, 204/2.1=92, 203/2.1=75, 207/3133=55...(12)
      QE    PHE   47 + QD1   LEU   87  OK    65    85  78  99  3.7-4.6   2.2/292=52, ~3099=44, ~296=43, ~290=39...(15)
      HZ2   TRP   72 - QD1   LEU   87  far    0    76   0   -  4.5-5.3
      H     GLU   67 - QD1   LEU   87  far    0   100   0   -  6.8-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3096 from c13no.peaks (7.57, 0.74, 27.63 ppm; 3.82 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   87 + QD1   LEU   87  OK   100   100 100 100  1.5-1.8   1104=99, 1106/2.1=73, 3100/2.1=64, 1110/3.1=63...(18)
      H     ARG   46 - QD1   LEU   87  far    0    60   0   -  9.8-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3097 from c13no.peaks (8.03, 0.74, 27.63 ppm; 4.69 A):
    1 out of 3 assignments used, quality = 0.89:
      H     LEU   84 + QD1   LEU   87  OK    89    89 100 100  3.6-4.3   3.0/3123=87, 1081/3115=53, 1082/3133=43, ~3128=42...(13)
      H     ARG   78 - QD1   LEU   87  far    0   100   0   -  8.4-9.0
      H     CYS   49 - QD1   LEU   87  far    0   100   0   -  9.7-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3098 from c13no.peaks (8.97, 0.74, 27.63 ppm; 4.57 A):
    1 out of 1 assignment used, quality = 0.97:
      H     VAL   88 + QD1   LEU   87  OK    97    97 100 100  1.7-3.0   1123=97, 3093/2.1=79, 364/1104=75, 1119/3.1=69...(22)
    Violated in 0 structures by 0.00 A.
 
    Peak 3099 from c13no.peaks (7.20, 1.81, 26.98 ppm; 4.61 A increased from 4.34 A):
    1 out of 3 assignments used, quality = 0.92:
      HZ    PHE   47 + HG    LEU   87  OK    92    92 100 100  4.3-4.6   296=83, 292/2.1=70, 290/3.0=69, 3103/3.0=58...(10)
      H     LEU   86 - HG    LEU   87  far    0   100   0   -  5.8-6.2
      HD1   TRP   72 - HG    LEU   87  far    0    87   0   -  6.8-7.7
    Violated in 1 structures by 0.00 A.
 
    Peak 3100 from c13no.peaks (7.57, 1.81, 26.98 ppm; 4.05 A increased from 3.81 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   87 + HG    LEU   87  OK   100   100 100 100  3.4-3.8   1104/2.1=83, 1106/2.1=79, 1110/3.0=72, 3.0/347=62...(16)
      H     ARG   46 - HG    LEU   87  far    0    60   0   -  9.8-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3101 from c13no.peaks (7.82, 1.81, 26.98 ppm; 5.00 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3102 from c13no.peaks (8.97, 1.81, 26.98 ppm; 5.00 A):
    1 out of 1 assignment used, quality = 0.97:
      H     VAL   88 + HG    LEU   87  OK    97    97 100 100  4.3-4.7   1118=93, 1123/2.1=92, 3093/2.1=88, 1119/3.0=81...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 3103 from c13no.peaks (7.20, 1.69, 42.26 ppm; 4.97 A):
    1 out of 3 assignments used, quality = 0.92:
      HZ    PHE   47 + HB3   LEU   87  OK    92    92 100 100  2.1-3.0   290/1.8=89, 3099/3.0=73, 292/3.1=67, 321/4.4=52...(10)
      H     LEU   86 - HB3   LEU   87  far    0   100   0   -  6.1-6.5
      HD1   TRP   72 - HB3   LEU   87  far    0    87   0   -  8.4-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3104 from c13no.peaks (8.96, 1.69, 42.26 ppm; 4.48 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL   88 + HB3   LEU   87  OK   100   100 100 100  3.5-4.0   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3105 from c13no.peaks (7.20, 2.33, 42.26 ppm; 4.79 A):
    1 out of 3 assignments used, quality = 0.78:
      HZ    PHE   47 + HB2   LEU   87  OK    78    78 100 100  2.0-2.6   3103/1.8=74, 290=72, 3099/3.0=68, 292/3.1=54...(10)
      H     LEU   86 - HB2   LEU   87  far    0    96   0   -  5.0-5.7
      HD1   TRP   72 - HB2   LEU   87  far    0    71   0   -  8.7-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3106 from c13no.peaks (7.58, 2.33, 42.26 ppm; 4.07 A):
    1 out of 1 assignment used, quality = 0.97:
      H     LEU   87 + HB2   LEU   87  OK    97    97 100 100  2.7-3.0   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3107 from c13no.peaks (8.96, 2.33, 42.26 ppm; 4.34 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL   88 + HB2   LEU   87  OK   100   100 100 100  2.1-2.6   4.4=92, 1119/1.8=84, 364/1110=70, 1123/3.1=68...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 3108 from c13no.peaks (7.58, 1.69, 42.26 ppm; 4.13 A):
    1 out of 1 assignment used, quality = 0.97:
      H     LEU   87 + HB3   LEU   87  OK    97    97 100 100  3.4-3.7   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3109 from c13no.peaks (0.74, 1.00, 24.39 ppm; 2.60 A):
    1 out of 6 assignments used, quality = 1.00:
      QD1   LEU   87 + QD2   LEU   87  OK   100   100 100 100  1.9-2.0   2.1=100
      QD1   LEU   84 - QD2   LEU   87  far    0   100   0   -  4.2-5.4
      QD2   LEU   89 - QD2   LEU   87  far    0   100   0   -  7.1-7.4
      QD1   LEU   65 - QD2   LEU   87  far    0    96   0   -  7.5-8.4
      QD2   LEU   45 - QD2   LEU   87  far    0    96   0   -  8.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3110 from c13no.peaks (0.27, 1.00, 24.39 ppm; 3.71 A increased from 3.13 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   73 + QD2   LEU   87  OK    99    99 100 100  3.2-3.7   3115/2.1=87, 2.1/3134=76, 3125/2.1=50, ~3133=41...(17)
      HB3   ARG   44 - QD2   LEU   87  far    0    81   0   -  5.6-8.2
      QD2   LEU   62 - QD2   LEU   87  far    0    96   0   -  7.8-8.4
    Violated in 2 structures by 0.01 A.
 
    Peak 3111 from c13no.peaks (1.80, 1.00, 24.39 ppm; 3.04 A):
    1 out of 6 assignments used, quality = 1.00:
      HG    LEU   87 + QD2   LEU   87  OK   100   100 100 100  2.1-2.1   2.1=100
      HG    LEU   86 - QD2   LEU   87  far    0   100   0   -  3.5-4.7
      HG    LEU   84 - QD2   LEU   87  far    0    92   0   -  6.0-8.1
      QB    ARG   48 - QD2   LEU   87  far    0    81   0   -  6.2-7.9
      HG3   PRO  112 - QD2   LEU   87  far    0    87   0   -  8.6-9.6
      HB3   ARG   74 - QD2   LEU   87  far    0    99   0   -  9.7-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3113 from c13no.peaks (2.33, 1.00, 24.39 ppm; 3.52 A):
    1 out of 4 assignments used, quality = 1.00:
      HB2   LEU   87 + QD2   LEU   87  OK   100   100 100 100  3.2-3.2   3.1=100
      HB    VAL   88 - QD2   LEU   87  far    0   100   0   -  5.6-7.3
      QG    GLU  125 - QD2   LEU  387  far    0    78   0   -  7.9-19.2
      HG2   GLU   41 - QD2   LEU   87  far    0    97   0   - 10.0-12.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3114 from c13no.peaks (1.76, 1.00, 24.39 ppm; 3.46 A increased from 3.08 A):
    1 out of 10 assignments used, quality = 0.92:
      HB2   LEU   86 + QD2   LEU   87  OK    92    98 100  93  2.2-3.5   3117/2.1=66, 4.1/3091=37, 3.2/1097=34, 5.4/847=25...(8)
      QE    MET   83 - QD2   LEU   87  far    0    87   0   -  4.6-6.2
      QB    LEU   84 - QD2   LEU   87  far    0   100   0   -  5.2-6.3
      QB    ARG   48 - QD2   LEU   87  far    0    65   0   -  6.2-7.9
      HG    LEU   89 - QD2   LEU   87  far    0    73   0   -  7.1-8.2
      HG2   ARG   78 - QD2   LEU   87  far    0    95   0   -  8.4-10.3
      HG2   ARG   70 - QD2   LEU   87  far    0    97   0   -  8.5-10.3
      HB2   LEU   45 - QD2   LEU   87  far    0   100   0   -  9.8-11.1
      QD    LYS   80 - QD2   LEU   87  far    0    93   0   -  9.8-11.3
    Violated in 2 structures by 0.00 A.
 
    Peak 3115 from c13no.peaks (0.27, 0.74, 27.63 ppm; 2.92 A):
    1 out of 4 assignments used, quality = 0.98:
      QD1   LEU   73 + QD1   LEU   87  OK    98    99 100  98  1.7-1.8   3110/2.1=42, 2.1/3133=41, 1918=36, 3125/2.1=27...(20)
      QD2   LEU   62 - QD1   LEU   87  far    0    96   0   -  6.1-7.4
      HB3   ARG   44 - QD1   LEU   87  far    0    81   0   -  6.2-8.6
    Violated in 1 structures by 0.00 A.
 
    Peak 3116 from c13no.peaks (1.00, 0.74, 27.63 ppm; 2.91 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   87 + QD1   LEU   87  OK   100   100 100 100  1.9-2.0   2.1=100
      HG    LEU   65 - QD1   LEU   87  far    0    63   0   -  6.6-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3117 from c13no.peaks (1.76, 0.74, 27.63 ppm; 3.51 A increased from 3.12 A):
    1 out of 10 assignments used, quality = 0.88:
      HB2   LEU   86 + QD1   LEU   87  OK    88    98  95  94  2.3-3.6   3114/2.1=68, 4.1/1104=39, 5.4/348=24, ~1097=22...(10)
      QB    LEU   84 - QD1   LEU   87  far   10   100  10   -  3.5-4.1
      QE    MET   83 - QD1   LEU   87  far    0    87   0   -  3.7-4.5
      HG2   ARG   70 - QD1   LEU   87  far    0    97   0   -  6.7-7.9
      QB    ARG   48 - QD1   LEU   87  far    0    65   0   -  7.3-8.4
      HG    LEU   89 - QD1   LEU   87  far    0    73   0   -  7.5-8.0
      QD    LYS   80 - QD1   LEU   87  far    0    93   0   -  8.0-9.2
      HG2   ARG   78 - QD1   LEU   87  far    0    95   0   -  8.1-9.4
      HB2   LEU   62 - QD1   LEU   87  far    0   100   0   -  9.8-11.2
    Violated in 2 structures by 0.06 A.
 
    Peak 3121 from c13no.peaks (1.80, 0.74, 27.63 ppm; 3.09 A):
    1 out of 6 assignments used, quality = 1.00:
      HG    LEU   87 + QD1   LEU   87  OK   100   100 100 100  2.1-2.1   2.1=100
      HG    LEU   86 - QD1   LEU   87  far    0   100   0   -  3.5-4.5
      HG    LEU   84 - QD1   LEU   87  far    0    92   0   -  3.8-5.5
      HG3   PRO  112 - QD1   LEU   87  far    0    87   0   -  7.1-8.2
      QB    ARG   48 - QD1   LEU   87  far    0    81   0   -  7.3-8.4
      HB3   ARG   74 - QD1   LEU   87  far    0    99   0   -  8.5-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3122 from c13no.peaks (2.33, 0.74, 27.63 ppm; 3.47 A):
    1 out of 3 assignments used, quality = 0.99:
      HB2   LEU   87 + QD1   LEU   87  OK    99    99 100 100  2.1-2.3   3.1=100
      HB    VAL   88 - QD1   LEU   87  far    0    97   0   -  3.7-5.9
      QG    GLU  125 - QD1   LEU  387  far    0    60   0   -  8.3-18.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3123 from c13no.peaks (3.76, 0.74, 27.63 ppm; 3.38 A):
    1 out of 4 assignments used, quality = 0.98:
      HA    LEU   84 + QD1   LEU   87  OK    98   100 100  98  1.8-2.4   318=50, 2940/3115=36, 3128/2.1=33, 3.0/3097=33...(16)
      HA    LEU   62 - QD1   LEU   87  far    0    81   0   -  8.0-9.1
      HA    LEU   45 - QD1   LEU   87  far    0   100   0   -  9.3-10.1
      HA3   GLY   94 - QD1   LEU   87  far    0   100   0   -  9.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3124 from c13no.peaks (3.76, 1.00, 24.39 ppm; 5.09 A increased from 4.07 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    LEU   84 + QD2   LEU   87  OK   100   100 100 100  3.7-5.0   3123/2.1=100, 3128/2.1=81, 3017/3091=70, 2940/3110=69...(11)
      HA    LEU   45 - QD2   LEU   87  far    0   100   0   -  8.4-9.6
      HA3   GLY   94 - QD2   LEU   87  far    0   100   0   -  8.9-9.9
      HA    LEU   62 - QD2   LEU   87  far    0    81   0   - 10.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3125 from c13no.peaks (0.27, 1.81, 26.98 ppm; 4.51 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   73 + HG    LEU   87  OK    99    99 100 100  1.9-2.9   3115/2.1=99, 3110/2.1=90, 2.1/3132=74, ~3134=63...(17)
     ?HB3   LEU   73 - HG    LEU   87  far    4    39  10   -  3.9-5.9
      HB3   ARG   44 - HG    LEU   87  far    0    81   0   -  5.3-8.2
      QD2   LEU   62 - HG    LEU   87  far    0    96   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3126 from c13no.peaks (0.74, 1.81, 26.98 ppm; 3.17 A):
    1 out of 6 assignments used, quality = 1.00:
      QD1   LEU   87 + HG    LEU   87  OK   100   100 100 100  2.1-2.1   2.1=100
      QD1   LEU   84 - HG    LEU   87  far    0   100   0   -  4.5-5.4
      QD1   LEU   65 - HG    LEU   87  far    0    96   0   -  8.3-9.1
      QD2   LEU   45 - HG    LEU   87  far    0    96   0   -  8.5-11.3
      QD2   LEU   89 - HG    LEU   87  far    0   100   0   -  9.3-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3127 from c13no.peaks (1.00, 1.81, 26.98 ppm; 3.74 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   87 + HG    LEU   87  OK   100   100 100 100  2.1-2.1   2.1=100
      HG    LEU   65 - HG    LEU   87  far    0    63   0   -  8.5-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3128 from c13no.peaks (3.77, 1.81, 26.98 ppm; 4.82 A increased from 4.53 A):
    1 out of 3 assignments used, quality = 0.95:
      HA    LEU   84 + HG    LEU   87  OK    95   100  95 100  4.2-5.1   3123/2.1=97, 3131/3.0=72, 3124/2.1=69, 2940/3125=54...(9)
      HA    LYS   80 - HG    LEU   87  far    0    73   0   -  8.5-10.0
      HA    LEU   45 - HG    LEU   87  far    0   100   0   -  8.9-9.8
    Violated in 2 structures by 0.01 A.
 
    Peak 3129 from c13no.peaks (1.72, 2.33, 42.26 ppm; 3.48 A):
    0 out of 3 assignments used, quality = 0.00:
      HG    LEU   89 + HB2   LEU   87  far    0    97   0   -  8.3-9.2
      HG2   ARG   70 + HB2   LEU   87  far    0    73   0   -  9.6-10.8
    Violated in 20 structures by 2.84 A.
 
    Peak 3130 from c13no.peaks (0.28, 2.33, 42.26 ppm; 5.21 A):
    1 out of 4 assignments used, quality = 0.95:
      QD1   LEU   73 + HB2   LEU   87  OK    95   100  95 100  2.7-4.1   3115/3.1=96, 3110/3.1=88, 3125/3.0=79, 1103/1110=71...(14)
      HB3   ARG   44 - HB2   LEU   87  far    0    92   0   -  6.8-9.6
      QD2   LEU   62 - HB2   LEU   87  far    0    99   0   -  7.0-7.6
    Violated in 2 structures by 0.06 A.
 
    Peak 3131 from c13no.peaks (3.77, 2.33, 42.26 ppm; 4.41 A):
    1 out of 6 assignments used, quality = 0.92:
      HA    LEU   84 + HB2   LEU   87  OK    92    97  95  99  3.4-4.4   3123/3.1=69, 3128/3.0=55, 3017/4.0=50, 3124/3.1=44...(8)
      HA    ARG   66 - HB2   LEU   87  far    0    65   0   -  5.4-6.7
      HA    LYS   80 - HB2   LEU   87  far    0    89   0   -  8.4-9.9
      HA    LEU   62 - HB2   LEU   87  far    0    99   0   -  8.5-9.3
      HA3   GLY   94 - HB2   LEU   87  far    0    90   0   -  9.3-10.8
      HA    LEU   45 - HB2   LEU   87  far    0    97   0   -  9.6-10.3
    Violated in 2 structures by 0.05 A.
 
    Peak 3132 from c13no.peaks (-0.64, 1.81, 26.98 ppm; 4.52 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + HG    LEU   87  OK   100   100 100 100  1.8-3.1   3134/2.1=94, 3133/2.1=89, 2.1/3125=74, ~3115=70...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3133 from c13no.peaks (-0.64, 0.74, 27.63 ppm; 3.77 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + QD1   LEU   87  OK   100   100 100 100  1.7-1.8   2.1/3115=88, 3134/2.1=78, 1932=64, 3132/2.1=51...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 3134 from c13no.peaks (-0.64, 1.00, 24.39 ppm; 3.40 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   73 + QD2   LEU   87  OK   100   100 100 100  2.1-3.1   2.1/3110=59, 3133/2.1=57, 1780=41, ~3115=41...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 3135 from c13no.peaks (0.91, 2.32, 32.08 ppm; 3.51 A):
    1 out of 9 assignments used, quality = 1.00:
      QG1   VAL   88 + HB    VAL   88  OK   100   100 100 100  2.1-2.1   2.1=100
      QD2   LEU   86 - HB    VAL   88  far    0    83   0   -  6.1-8.6
      QG1   VAL   77 - HB2   PRO  426  far    0    91   0   -  7.4-29.3
      QG2   VAL   77 - HB2   PRO  426  far    0    64   0   -  7.4-30.6
      QD1   LEU   93 - HB    VAL   88  far    0    71   0   -  7.8-9.4
      QD1   LEU  118 - HB2   PRO  126  far    0    68   0   -  9.3-17.5
      QG2   ILE  100 - HB2   PRO  126  far    0    89   0   -  9.6-15.5
      QD2   LEU  118 - HB2   PRO  126  far    0    92   0   -  9.7-18.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3136 from c13no.peaks (1.12, 0.91, 21.81 ppm; 2.86 A):
    1 out of 4 assignments used, quality = 1.00:
      QG2   VAL   88 + QG1   VAL   88  OK   100   100 100 100  1.9-2.1   2.1=100
      QG1   VAL  119 - QG1   VAL   88  far    0    76   0   -  7.6-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3137 from c13no.peaks (0.91, 1.11, 24.39 ppm; 2.53 A):
    1 out of 5 assignments used, quality = 1.00:
      QG1   VAL   88 + QG2   VAL   88  OK   100   100 100 100  1.9-2.1   2.1=100
      QD2   LEU   86 - QG2   VAL   88  far    0    83   0   -  5.2-6.5
      QD1   LEU   93 - QG2   VAL   88  far    0    71   0   -  7.8-8.6
      QG2   VAL   77 - QG2   VAL   88  far    0    73   0   - 10.0-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3138 from c13no.peaks (1.74, 3.72, 67.96 ppm; 5.50 A increased from 4.43 A):
    1 out of 5 assignments used, quality = 0.70:
      QB    LEU   84 + HA    VAL   88  OK    70    81  88  99  5.0-5.7   2998/3.2=70, 3001/3.0=67, 3015/3.0=60, ~3020=51...(6)
      HG    LEU   89 - HA    VAL   88  far    0   100   0   -  7.2-7.8
      HB2   LEU   86 - HA    VAL   88  far    0    57   0   -  7.6-8.5
      HB2   LEU   62 - HA    VAL   88  far    0    87   0   -  8.0-8.6
    Violated in 4 structures by 0.03 A.
 
    Peak 3139 from c13no.peaks (1.88, 3.72, 67.96 ppm; 5.25 A increased from 4.67 A):
    1 out of 4 assignments used, quality = 0.63:
      HB3   PRO  112 + HA    VAL   88  OK    63    63 100 100  4.2-5.0   ~3794=63, ~3777=58, 3796/3.2=54, ~3149=53...(14)
      QB    ARG   66 - HA    VAL   88  far    0    85   0   -  5.4-6.4
      QB    ALA   61 - HA    VAL   88  far    0    95   0   -  6.5-7.3
      HG    LEU   96 - HA    VAL   88  far    0    99   0   -  9.7-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3140 from c13no.peaks (0.59, 3.72, 67.96 ppm; 4.87 A):
    1 out of 3 assignments used, quality = 0.95:
      QD2   LEU   65 + HA    VAL   88  OK    95    97 100  99  2.3-4.1   319/95=66, 291/88=62, 1153/3155=40, 2409/3158=39...(8)
      HG2   ARG   44 - HA    VAL   88  far    0    89   0   -  9.2-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3141 from c13no.peaks (0.30, 3.72, 67.96 ppm; 5.12 A):
    1 out of 4 assignments used, quality = 0.97:
      QD2   LEU   62 + HA    VAL   88  OK    97    97 100 100  4.2-4.6   2262/3.2=90, ~2270=57, 1133/3.6=52, ~2288=49...(9)
      QD1   LEU   73 - HA    VAL   88  far    0    90   0   -  5.7-6.8
      HB3   ARG   44 - HA    VAL   88  far    0   100   0   -  9.6-12.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3142 from c13no.peaks (2.32, 1.11, 24.39 ppm; 2.97 A):
    1 out of 2 assignments used, quality = 1.00:
      HB    VAL   88 + QG2   VAL   88  OK   100   100 100 100  2.1-2.1   2.1=100
      HB2   LEU   87 - QG2   VAL   88  poor  18   100  25  70  2.8-3.3   3107/1121=26, 1110/1107=23, 290/294=20, 356/676=14...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 3143 from c13no.peaks (2.33, 0.91, 21.81 ppm; 2.92 A):
    1 out of 5 assignments used, quality = 0.99:
      HB    VAL   88 + QG1   VAL   88  OK    99    99 100 100  2.1-2.1   2.1=100
      HB2   LEU   87 - QG1   VAL   88  far    0   100   0   -  4.6-5.3
      HB2   PRO  126 - QG1   VAL  377  far    0    86   0   -  7.4-29.3
      HG3   GLU   60 - QG1   VAL   88  far    0    73   0   -  9.3-11.1
      QG    GLU  125 - QG1   VAL  377  far    0    67   0   -  9.4-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3144 from c13no.peaks (1.60, 1.11, 24.39 ppm; 3.52 A):
    0 out of 7 assignments used, quality = 0.00:
      QG    ARG   66 + QG2   VAL   88  far    0    99   0   -  3.8-5.0
      HG2   LYS   80 + QG2   VAL   88  far    0    76   0   -  6.1-8.8
      QG    ARG   48 + QG2   VAL   88  far    0    85   0   -  6.6-8.7
      QB    ALA   95 + QG2   VAL   88  far    0    95   0   -  7.2-7.9
      QB    ALA   43 + QG2   VAL   88  far    0    97   0   -  7.2-8.4
      QG    ARG   74 + QG2   VAL   88  far    0    95   0   -  8.5-9.5
    Violated in 20 structures by 0.63 A.
 
    Peak 3145 from c13no.peaks (1.85, 1.11, 24.39 ppm; 3.38 A increased from 3.18 A):
    1 out of 5 assignments used, quality = 0.92:
      QB    ARG   66 + QG2   VAL   88  OK    92    95  98  99  2.5-3.4   2425=68, 2.5/2429=59, 3147/2.1=54, 3.3/944=42...(11)
      HG    LEU   84 - QG2   VAL   88  poor  18    60  45  68  3.0-4.8   ~2998=26, ~3001=23, 5.2/1089=20, ~3138=15...(6)
      HG3   PRO  112 - QG2   VAL   88  far    0    68   0   -  4.2-5.3
      HG2   GLN   91 - QG2   VAL   88  far    0    97   0   -  5.0-6.2
      HB2   LYS   80 - QG2   VAL   88  far    0    71   0   -  6.0-8.3
    Violated in 2 structures by 0.00 A.
 
    Peak 3146 from c13no.peaks (1.97, 0.91, 21.81 ppm; 3.60 A increased from 3.20 A):
    2 out of 9 assignments used, quality = 0.80:
      HB2   LEU   65 + QG1   VAL   88  OK    73    78  98  96  2.1-3.7   1.8/2364=60, 2365=49, 4.6/2767=29, 2366/2262=25...(10)
      QB    GLU   76 + QG1   VAL   77  OK    26    77  35  96  3.3-5.1   2.5/2779=60, 4.0/2763=37, 5.4/672=27, 3.4/2770=26...(10)
      HG    LEU   93 - QG1   VAL   88  far    0    63   0   -  6.1-8.9
      HB3   GLU   81 - QG1   VAL   88  far    0    60   0   -  6.2-8.8
      QB    ARG   70 - QG1   VAL   88  far    0    97   0   -  6.8-7.6
      QG    PRO   75 - QG1   VAL   77  far    0    86   0   -  7.4-8.1
      QG    PRO   75 - QG1   VAL   88  far    0    87   0   -  8.6-9.6
      HB3   PRO  126 - QG1   VAL  377  far    0    94   0   -  8.8-30.1
      HB2   PRO  109 - QG1   VAL   88  far    0    78   0   -  9.2-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3147 from c13no.peaks (1.86, 0.91, 21.81 ppm; 3.79 A increased from 3.19 A):
    1 out of 6 assignments used, quality = 1.00:
      QB    ARG   66 + QG1   VAL   88  OK   100   100 100 100  3.0-3.8   2426=95, 2425/2.1=70, 2.5/3845=52, 3.3/2767=46...(13)
      HG2   GLN   91 - QG1   VAL   88  far    0    87   0   -  4.8-6.5
      HB2   LYS   80 - QG1   VAL   88  far    0    89   0   -  7.6-10.2
      HG    LEU   96 - QG1   VAL   88  far    0    87   0   -  7.8-10.1
      HB3   PRO  109 - QG1   VAL   88  far    0    57   0   -  8.1-8.6
      HB2   LYS   80 - QG1   VAL   77  far    0    88   0   -  9.6-11.0
    Violated in 1 structures by 0.00 A.
 
    Peak 3148 from c13no.peaks (0.29, 1.11, 24.39 ppm; 4.01 A increased from 3.77 A):
    2 out of 4 assignments used, quality = 0.98:
      QD2   LEU   62 + QG2   VAL   88  OK    95   100  95 100  3.5-4.1   2262/2.1=88, ~2270=47, 3141/676=39, ~2288=38...(10)
      QD1   LEU   73 + QG2   VAL   88  OK    66    99  83  81  3.7-4.6   1124/1121=38, 1103/1107=31, 3115/6.6=19, 3110/6.6=18...(8)
      HB3   ARG   44 - QG2   VAL   88  far    0    99   0   -  8.3-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3149 from c13no.peaks (2.54, 1.11, 24.39 ppm; 4.21 A increased from 3.54 A):
    1 out of 1 assignment used, quality = 1.00:
      HG2   PRO  112 + QG2   VAL   88  OK   100   100 100 100  3.1-4.2   3789/2.1=71, 3788=59, ~3777=58, ~3796=48...(12)
    Violated in 3 structures by 0.01 A.
 
    Peak 3150 from c13no.peaks (3.10, 1.11, 24.39 ppm; 4.03 A):
    0 out of 4 assignments used, quality = 0.00:
      HA    CYS   69 + QG2   VAL   88  far    0    92   0   -  4.7-5.5
      HD2   ARG   66 + QG2   VAL   88  far    0    96   0   -  5.1-6.8
      HB2   PHE   92 + QG2   VAL   88  far    0   100   0   -  5.6-6.1
      HE2   LYS   80 + QG2   VAL   88  far    0    83   0   -  8.6-10.0
    Violated in 20 structures by 0.66 A.
 
    Peak 3151 from c13no.peaks (4.07, 1.11, 24.39 ppm; 3.66 A):
    1 out of 5 assignments used, quality = 0.94:
      HA    GLU   85 + QG2   VAL   88  OK    94   100 100  94  1.8-3.6   3032/2.1=66, 3045/1121=46, 3.0/1089=40, ~3033=27...(6)
      HA    ALA   63 - QG2   VAL   88  far    0    63   0   -  5.6-6.8
      HA    LEU   68 - QG2   VAL   88  far    0    99   0   -  6.6-7.6
      HA    ALA   43 - QG2   VAL   88  far    0    68   0   -  9.5-10.8
      HA    TYR   52 - QG2   VAL   88  far    0    63   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3152 from c13no.peaks (7.95, 2.32, 32.08 ppm; 4.41 A):
    1 out of 4 assignments used, quality = 0.27:
      H     GLY  128 + HB2   PRO  126  OK    27    89  98  31  2.5-4.4   6.5=31
      H     ARG   70 - HB    VAL   88  far    0    96   0   -  6.8-8.3
      H     GLY  121 - HB2   PRO  126  far    0    80   0   -  7.7-16.5
      H     ALA  115 - HB    VAL   88  far    0   100   0   -  8.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3153 from c13no.peaks (7.19, 3.72, 67.96 ppm; 3.96 A):
    1 out of 2 assignments used, quality = 0.96:
      HZ    PHE   47 + HA    VAL   88  OK    96    96 100 100  2.2-2.9   88=91, 2.2/95=67, 294/3.2=57, 321/3.0=47...(13)
      H     LEU   86 - HA    VAL   88  far    0   100   0   -  6.5-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3154 from c13no.peaks (7.37, 3.72, 67.96 ppm; 4.25 A):
    1 out of 5 assignments used, quality = 1.00:
      QE    PHE   47 + HA    VAL   88  OK   100   100 100 100  1.9-2.7   95=96, 2.2/88=85, 316/3.2=65, 2762/3.2=55...(15)
      H     GLU   67 - HA    VAL   88  far    0    87   0   -  7.2-8.0
      HH2   TRP   72 - HA    VAL   88  far    0    63   0   -  7.6-8.1
      HZ2   TRP   72 - HA    VAL   88  far    0   100   0   - 10.0-10.4
      H     TRP   72 - HA    VAL   88  far    0    73   0   - 10.0-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3155 from c13no.peaks (7.92, 3.72, 67.96 ppm; 4.86 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLN   91 + HA    VAL   88  OK    99    99 100  99  3.3-3.7   85/88=65, 1159/3.2=62, 413/3158=56, 98/95=45...(9)
      H     ALA  115 - HA    VAL   88  far    0    76   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3156 from c13no.peaks (8.52, 3.72, 67.96 ppm; 4.80 A):
    1 out of 3 assignments used, quality = 0.96:
      H     LEU   89 + HA    VAL   88  OK    96    96 100 100  3.5-3.6   3.6=100
      H     LEU   68 - HA    VAL   88  far    0    99   0   -  7.0-7.9
      H     ALA  116 - HA    VAL   88  far    0    93   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3157 from c13no.peaks (8.98, 3.72, 67.96 ppm; 4.07 A):
    1 out of 1 assignment used, quality = 0.92:
      H     VAL   88 + HA    VAL   88  OK    92    92 100 100  2.7-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3158 from c13no.peaks (9.17, 3.72, 67.96 ppm; 5.04 A):
    1 out of 1 assignment used, quality = 0.92:
      H     PHE   92 + HA    VAL   88  OK    92    92 100 100  3.3-3.6   1169/3.2=70, 413/3155=63, 1165/3.0=55, 425/95=45...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 3159 from c13no.peaks (8.53, 2.32, 32.08 ppm; 4.37 A):
    1 out of 3 assignments used, quality = 0.81:
      H     LEU   89 + HB    VAL   88  OK    81    81 100 100  2.3-4.2   4.4=96, 3166/2.1=83, 3163/2.1=74, 365/4.0=57...(11)
      H     LEU   68 - HB    VAL   88  far    0    90   0   -  6.0-8.9
      H     ALA  116 - HB    VAL   88  far    0    76   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3160 from c13no.peaks (8.98, 2.32, 32.08 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 0.92:
      H     VAL   88 + HB    VAL   88  OK    92    92 100 100  2.5-3.6   4.0=94, 3161/2.1=82, 2768/2.1=67, 401/1130=57...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3161 from c13no.peaks (8.98, 1.11, 24.39 ppm; 3.32 A):
    1 out of 1 assignment used, quality = 0.92:
      H     VAL   88 + QG2   VAL   88  OK    92    92 100 100  1.7-2.1   1121=92, 3.0/676=55, 3160/2.1=52, 2768/2.1=50...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 3162 from c13no.peaks (8.66, 1.11, 24.39 ppm; 4.11 A):
    1 out of 1 assignment used, quality = 0.94:
      H     ARG   66 + QG2   VAL   88  OK    94    97  98 100  2.5-4.1   944=97, 3.0/2429=73, 2767/2.1=68, 941/2425=63...(11)
    Violated in 1 structures by 0.01 A.
 
    Peak 3163 from c13no.peaks (8.54, 1.11, 24.39 ppm; 4.23 A):
    1 out of 3 assignments used, quality = 0.60:
      H     LEU   89 + QG2   VAL   88  OK    60    60 100 100  2.2-3.9   4.3=93, 3166/2.1=77, 3.6/676=70, 3159/2.1=67...(15)
      H     LEU   68 - QG2   VAL   88  far    0    73   0   -  4.7-5.9
      H     SER   79 - QG2   VAL   88  far    0   100   0   -  9.6-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3164 from c13no.peaks (7.38, 1.11, 24.39 ppm; 4.00 A):
    1 out of 4 assignments used, quality = 0.98:
      QE    PHE   47 + QG2   VAL   88  OK    98    98 100 100  2.4-3.7   316=96, 2.2/294=70, 2762/2.1=59, 95/3.2=56...(16)
      H     GLU   67 - QG2   VAL   88  far    0    97   0   -  4.3-5.7
      HH2   TRP   72 - QG2   VAL   88  far    0    83   0   -  6.3-7.0
      HZ2   TRP   72 - QG2   VAL   88  far    0    95   0   -  8.1-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3165 from c13no.peaks (7.23, 1.11, 24.39 ppm; 4.69 A increased from 4.17 A):
    1 out of 1 assignment used, quality = 0.78:
      QD    PHE   47 + QG2   VAL   88  OK    78    87  90 100  3.8-5.0   2.2/3164=87, 3.8/294=64, ~2762=53, 2547/2561=46...(7)
    Violated in 3 structures by 0.03 A.
 
    Peak 3166 from c13no.peaks (8.53, 0.91, 21.81 ppm; 3.89 A):
    1 out of 4 assignments used, quality = 0.80:
      H     LEU   89 + QG1   VAL   88  OK    80    81 100 100  1.9-3.7   4.3=73, 1130/2.1=68, 3163/2.1=60, 365/1122=46...(15)
      H     LEU   68 - QG1   VAL   88  far    0    90   0   -  6.1-7.2
      H     ALA  116 - QG1   VAL   88  far    0    76   0   -  6.4-7.1
      H     SER   79 - QG1   VAL   77  far    0    95   0   -  6.5-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3167 from c13no.peaks (8.98, 0.91, 21.81 ppm; 3.95 A increased from 3.71 A):
    1 out of 1 assignment used, quality = 0.76:
      H     VAL   88 + QG1   VAL   88  OK    76    76 100 100  2.7-3.8   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3168 from c13no.peaks (3.11, 3.94, 59.00 ppm; 4.00 A):
    1 out of 3 assignments used, quality = 0.92:
      HB2   PHE   92 + HA    LEU   89  OK    92   100 100  92  2.9-3.4   3185/856=48, 2.4/3192=46, 473/3.0=36, 3238/3177=26...(6)
      HE2   LYS   80 - HA    GLN   82  far    0    52   0   -  7.7-8.6
      HD2   ARG   66 - HA    GLN   82  far    0    67   0   -  9.4-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3169 from c13no.peaks (0.74, 1.33, 42.58 ppm; 3.77 A):
    2 out of 6 assignments used, quality = 1.00:
      QD2   LEU   89 + HB3   LEU   89  OK   100   100 100 100  2.4-3.1   3.1=100
      QD1   LEU   84 +?HB3   LEU   73  OK    21    51  90  45  2.4-4.8   3067/1781=43, 2573/2582=3
      QD1   LEU   87 -?HB3   LEU   73  far    4    51   8   -  3.8-4.1
      QD1   LEU   87 - HB3   LEU   89  far    0   100   0   -  5.8-6.4
      QD1   LEU   65 - HB3   LEU   89  far    0    96   0   -  6.3-8.0
      QD1   LEU   84 - HB3   LEU   89  far    0   100   0   -  8.0-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3170 from c13no.peaks (1.74, 1.33, 42.58 ppm; 3.76 A):
    1 out of 10 assignments used, quality = 0.96:
      HG    LEU   89 + HB3   LEU   89  OK    96    96 100 100  2.2-3.0   3.0=100
      HB2   LEU   86 - HB3   LEU   89  far    0    81   0   -  6.1-6.7
      QB    LEU   84 - HB3   LEU   89  far    0    96   0   -  6.3-7.1
      HG3   PRO  109 - HB3   LEU   89  far    0   100   0   -  6.6-8.4
      HB2   LEU   62 - HB3   LEU   89  far    0    98   0   -  8.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3171 from c13no.peaks (2.27, 1.33, 42.58 ppm; 3.89 A):
    1 out of 6 assignments used, quality = 1.00:
      HB2   LEU   89 + HB3   LEU   89  OK   100   100 100 100  1.8-1.8   1.8=100
      HG3   GLU   85 - HB3   LEU   89  far    5    96   5   -  3.9-5.1
      HG3   GLU  114 - HB3   LEU   89  far    0   100   0   -  7.6-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3172 from c13no.peaks (1.34, 2.27, 42.58 ppm; 3.89 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   89 + HB2   LEU   89  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   LEU   86 - HB2   LEU   89  far    0   100   0   -  5.7-6.7
      HB3   LEU   65 - HB2   LEU   89  far    0    96   0   -  7.7-9.1
      HB3   LEU   62 - HB2   LEU   89  far    0    76   0   -  9.0-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3173 from c13no.peaks (1.34, 1.73, 26.66 ppm; 4.25 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   89 + HG    LEU   89  OK   100   100 100 100  2.2-3.0   3.0=100
      HB3   LEU   86 - HG    LEU   89  far    0   100   0   -  7.8-8.6
      HB3   LEU   62 - HG    LEU   89  far    0    76   0   -  8.3-11.8
      HB3   LEU   65 - HG    LEU   89  far    0    96   0   -  9.1-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3174 from c13no.peaks (0.74, 1.73, 26.66 ppm; 3.33 A):
    1 out of 4 assignments used, quality = 1.00:
      QD2   LEU   89 + HG    LEU   89  OK   100   100 100 100  2.1-2.1   2.1=100
      QD1   LEU   65 - HG    LEU   89  far    0    96   0   -  7.3-9.2
      QD1   LEU   87 - HG    LEU   89  far    0   100   0   -  7.5-8.0
      QD1   LEU   84 - HG    LEU   89  far    0   100   0   -  9.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3176 from c13no.peaks (2.28, 1.73, 26.66 ppm; 4.35 A):
    1 out of 4 assignments used, quality = 0.96:
      HB2   LEU   89 + HG    LEU   89  OK    96    96 100 100  2.4-3.0   3.0=100
      HG3   GLU   85 - HG    LEU   89  far    0    85   0   -  5.1-7.4
      HG3   GLU  114 - HG    LEU   89  far    0    99   0   -  6.1-10.0
      QB    GLN  107 - HG    LEU   89  far    0    81   0   -  9.9-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3177 from c13no.peaks (0.29, 3.94, 59.00 ppm; 4.66 A):
    1 out of 5 assignments used, quality = 0.97:
      QD2   LEU   62 + HA    LEU   89  OK    97   100 100  97  3.3-4.6   1133/3.0=51, 147/3192=51, 2262/6.0=42, 3238/3168=41...(8)
      QD1   LEU   73 - HA    GLN   82  far    0    77   0   -  7.4-8.1
      QD1   LEU   73 - HA    LEU   89  far    0    97   0   -  8.6-9.6
      QD2   LEU   62 - HA    GLN   82  far    0    81   0   -  8.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3178 from c13no.peaks (1.34, 0.81, 26.01 ppm; 3.28 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   89 + QD1   LEU   89  OK   100   100 100 100  2.1-3.1   3.1=100
      HB3   LEU   86 - QD1   LEU   89  far    0   100   0   -  6.1-6.8
      HB3   LEU   65 - QD1   LEU   89  far    0    96   0   -  8.1-9.7
      HB3   LEU   62 - QD1   LEU   89  far    0    76   0   -  8.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3179 from c13no.peaks (1.74, 0.81, 26.01 ppm; 3.08 A):
    2 out of 12 assignments used, quality = 1.00:
      HG    LEU   89 + QD1   LEU   89  OK   100   100 100 100  2.1-2.1   2.1=100
      HB2   LEU   45 + QD1   LEU   45  OK    45    45 100  99  2.0-2.6   3.1=94, ~1942=39, 4.0/688=25, 1.8/1939=25...(9)
      HG3   PRO  109 - QD1   LEU   89  far    0    96   0   -  4.1-5.9
      HB2   LEU   86 - QD1   LEU   89  far    0    63   0   -  5.5-7.1
      HB2   ARG  108 - QD1   LEU   89  far    0    65   0   -  6.8-8.5
      HB3   ARG  108 - QD1   LEU   89  far    0    65   0   -  6.8-8.6
      QB    LEU   84 - QD1   LEU   89  far    0    85   0   -  7.4-8.3
      HG3   ARG  103 - QD1   LEU  345  far    0    59   0   -  7.5-20.8
      HB3   ARG  108 - QD1   LEU  345  far    0    33   0   -  8.9-26.7
      HB2   ARG  108 - QD1   LEU  345  far    0    33   0   -  9.7-27.1
      HB2   LEU   62 - QD1   LEU   89  far    0    90   0   -  9.7-11.1
      HG3   PRO  109 - QD1   LEU  345  far    0    54   0   -  9.7-26.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3180 from c13no.peaks (2.28, 0.81, 26.01 ppm; 3.43 A):
    1 out of 8 assignments used, quality = 0.96:
      HB2   LEU   89 + QD1   LEU   89  OK    96    96 100 100  2.0-2.5   3.1=100
      HG3   GLU   85 - QD1   LEU   89  far    0    85   0   -  4.1-5.9
      QB    GLN  107 - QD1   LEU  345  far    0    42   0   -  4.9-13.1
      HB2   PRO   38 - QD1   LEU   45  far    0    56   0   -  5.2-8.9
      HG3   GLU  114 - QD1   LEU   89  far    0    99   0   -  6.2-8.2
      HG2   PRO   40 - QD1   LEU   45  far    0    56   0   -  7.3-9.2
      QG    GLU  125 - QD1   LEU  345  far    0    35   0   -  7.5-13.5
      QB    GLN  107 - QD1   LEU   89  far    0    81   0   -  8.3-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3181 from c13no.peaks (0.82, 1.73, 26.66 ppm; 3.49 A):
    1 out of 2 assignments used, quality = 1.00:
      QD1   LEU   89 + HG    LEU   89  OK   100   100 100 100  2.1-2.1   2.1=100
      QD2   LEU   93 - HG    LEU   89  far    0    81   0   -  4.8-5.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3182 from c13no.peaks (2.28, 0.74, 23.43 ppm; 3.66 A):
    1 out of 10 assignments used, quality = 0.96:
      HB2   LEU   89 + QD2   LEU   89  OK    96    96 100 100  2.7-3.2   3.1=100
      QB    GLN  107 - QD2   LEU  345  far    0    77   0   -  4.1-15.3
      HG3   GLU  114 - QD2   LEU   89  far    0    99   0   -  5.4-6.9
      HG3   GLU   85 - QD2   LEU   89  far    0    85   0   -  6.0-6.9
      HB2   PRO   38 - QD2   LEU   45  far    0    94   0   -  6.8-11.1
      HG2   PRO   40 - QD2   LEU   45  far    0    94   0   -  7.3-10.7
      QB    GLN  107 - QD2   LEU   89  far    0    81   0   -  7.4-8.8
      HB    VAL  119 - QD2   LEU   89  far    0    99   0   -  7.9-9.4
      QG    GLU  125 - QD2   LEU  345  far    0    65   0   -  9.3-15.7
      HG2   PRO   58 - QD2   LEU   89  far    0    89   0   -  9.5-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3183 from c13no.peaks (1.74, 0.74, 23.43 ppm; 2.89 A):
    1 out of 12 assignments used, quality = 1.00:
      HG    LEU   89 + QD2   LEU   89  OK   100   100 100 100  2.1-2.1   2.1=100
      HB2   LEU   45 - QD2   LEU   45  far    4    81   5   -  2.3-3.2
      HG3   PRO  109 - QD2   LEU   89  far    0    96   0   -  3.0-4.3
      HB2   ARG  108 - QD2   LEU   89  far    0    65   0   -  7.0-8.4
      HB3   ARG  108 - QD2   LEU   89  far    0    65   0   -  7.1-8.6
      QB    LEU   84 - QD2   LEU   89  far    0    85   0   -  7.5-8.2
      HB2   LEU   86 - QD2   LEU   89  far    0    63   0   -  7.6-8.3
      HB3   ARG  108 - QD2   LEU  345  far    0    62   0   -  7.6-29.2
      HB2   LEU   62 - QD2   LEU   89  far    0    90   0   -  7.7-8.9
      HB2   ARG  108 - QD2   LEU  345  far    0    62   0   -  8.2-29.6
      HG3   PRO  109 - QD2   LEU  345  far    0    92   0   -  9.0-28.9
      HG3   ARG  103 - QD2   LEU  345  far    0    97   0   -  9.1-23.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3184 from c13no.peaks (1.34, 0.74, 23.43 ppm; 3.18 A increased from 2.99 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   89 + QD2   LEU   89  OK   100   100 100 100  2.4-3.1   3.1=100
      HB3   LEU   62 - QD2   LEU   89  far    0    76   0   -  6.4-8.4
      HB3   LEU   65 - QD2   LEU   89  far    0    96   0   -  7.4-8.2
      HB3   LEU   86 - QD2   LEU   89  far    0   100   0   -  7.8-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3185 from c13no.peaks (3.10, 0.74, 23.43 ppm; 4.25 A):
    1 out of 4 assignments used, quality = 0.99:
      HB2   PHE   92 + QD2   LEU   89  OK    99   100 100  99  3.0-3.9   2.4/3200=70, 3168/856=65, 444/3197=50, 3234=45...(7)
      HB2   CYS   49 - QD2   LEU   45  poor  14    83  48  36  3.2-6.7   2002/6.3=21, 7.1/748=19
      HA    CYS   69 - QD2   LEU   45  far    0    85   0   -  8.2-10.0
      HD2   ARG   66 - QD2   LEU   89  far    0    97   0   -  9.9-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3186 from c13no.peaks (7.77, 1.73, 26.66 ppm; 5.08 A):
    1 out of 3 assignments used, quality = 0.85:
      H     GLU   90 + HG    LEU   89  OK    85    85 100 100  2.9-4.9   1145=83, 1144/3.0=78, 1146/3.0=73, 412/3187=58...(7)
      H     GLY   94 - HG    LEU   89  far    0    98   0   -  5.7-8.3
      H     ALA  117 - HG    LEU   89  far    0    99   0   -  9.2-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3187 from c13no.peaks (8.51, 1.73, 26.66 ppm; 5.15 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   89 + HG    LEU   89  OK   100   100 100 100  4.2-4.6   5.2=95, 3198/2.1=93, 1131/3.0=92, 3196/2.1=90...(13)
      H     ALA  116 - HG    LEU   89  far    0   100   0   -  7.0-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3188 from c13no.peaks (8.50, 1.33, 42.58 ppm; 4.23 A):
    1 out of 4 assignments used, quality = 0.99:
      H     LEU   89 + HB3   LEU   89  OK    99    99 100 100  2.2-2.7   4.0=100
      H     ALA  116 - HB3   LEU   89  far    0    99   0   -  7.7-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3189 from c13no.peaks (8.51, 2.27, 42.58 ppm; 4.20 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   89 + HB2   LEU   89  OK   100   100 100 100  2.3-2.8   4.0=100
      H     ALA  116 - HB2   LEU   89  far    0   100   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3190 from c13no.peaks (7.86, 3.94, 59.00 ppm; 3.74 A):
    1 out of 3 assignments used, quality = 0.76:
      H     GLN   82 + HA    GLN   82  OK    76    76 100 100  2.8-2.9   2.9=100
      H     GLU   85 - HA    GLN   82  far    0    75   0   -  4.0-4.5
      H     GLU   85 - HA    LEU   89  far    0    96   0   -  7.1-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3191 from c13no.peaks (8.51, 3.94, 59.00 ppm; 3.91 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU   89 + HA    LEU   89  OK   100   100 100 100  2.7-2.8   3.0=100
      H     ALA  116 - HA    LEU   89  far    0   100   0   -  6.8-7.1
      H     LEU   89 - HA    GLN   82  far    0    83   0   -  8.4-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3192 from c13no.peaks (6.91, 3.94, 59.00 ppm; 4.99 A):
    1 out of 3 assignments used, quality = 0.98:
      QD    PHE   92 + HA    LEU   89  OK    98    98 100 100  3.9-4.8   2.4/3168=90, 147/3177=62, 3200/856=57, ~473=40...(7)
      HZ    PHE   92 - HA    LEU   89  far    0    89   0   -  7.9-8.6
      H     LEU   96 - HA    LEU   89  far    0    68   0   -  8.3-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3193 from c13no.peaks (5.03, 0.81, 26.01 ppm; 4.02 A):
    1 out of 1 assignment used, quality = 0.94:
      HA    SER  111 + QD1   LEU   89  OK    94    96 100  99  2.0-3.9   3737=85, 2.9/3194=51, ~3199=32, 3.8/3753=29...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 3194 from c13no.peaks (7.46, 0.81, 26.01 ppm; 4.55 A increased from 4.28 A):
    1 out of 3 assignments used, quality = 1.00:
      H     SER  111 + QD1   LEU   89  OK   100   100 100 100  3.4-4.4   1264=81, 2.9/3193=74, 3199/2.1=74, 3.5/3713=52...(8)
      H     GLN  107 - QD1   LEU  345  far    0    59   0   -  6.1-24.9
      H     GLN  107 - QD1   LEU   89  far    0    99   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3195 from c13no.peaks (8.11, 0.81, 26.01 ppm; 4.61 A):
    1 out of 2 assignments used, quality = 0.59:
      H     LEU   45 + QD1   LEU   45  OK    59    59 100 100  1.9-3.9   4.5=100
      H     LEU   93 - QD1   LEU   89  poor  15    60  25   -  4.2-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3196 from c13no.peaks (8.51, 0.81, 26.01 ppm; 4.44 A increased from 4.17 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU   89 + QD1   LEU   89  OK   100   100 100 100  4.0-4.3   3198/2.1=79, 4.8=78, 1131/3.1=76, 3.0/859=74...(13)
      H     ALA  116 - QD1   LEU   89  far    0   100   0   -  7.4-8.1
      H     LEU   68 - QD1   LEU   45  far    0    60   0   -  9.6-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3197 from c13no.peaks (8.11, 0.74, 23.43 ppm; 3.84 A):
    1 out of 3 assignments used, quality = 0.59:
      H     LEU   93 + QD2   LEU   89  OK    59    83 100  71  3.2-3.8   4.5/3200=36, 444/3185=32, 1175/3.1=26, 1863/8.8=8
      H     LEU   45 - QD2   LEU   45  far   12    98  13   -  1.9-4.2
      H     LEU   62 - QD2   LEU   89  far    0    99   0   -  7.9-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3198 from c13no.peaks (8.51, 0.74, 23.43 ppm; 4.19 A increased from 3.95 A):
    1 out of 4 assignments used, quality = 1.00:
      H     LEU   89 + QD2   LEU   89  OK   100   100 100 100  4.0-4.1   3.0/856=84, 1131/3.1=70, 3196/2.1=67, 4.8=66...(13)
      H     ALA  116 - QD2   LEU   89  far    0   100   0   -  5.1-5.6
      H     GLN  101 - QD2   LEU   89  far    0    96   0   -  9.4-10.2
      H     GLN   59 - QD2   LEU   89  far    0    85   0   -  9.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3199 from c13no.peaks (7.46, 0.74, 23.43 ppm; 4.59 A):
    1 out of 3 assignments used, quality = 0.99:
      H     SER  111 + QD2   LEU   89  OK    99   100 100  99  2.6-3.4   1264/2.1=78, ~3193=47, ~3737=47, 566/1287=45...(9)
      H     GLN  107 - QD2   LEU  345  far    0    97   0   -  5.9-27.4
      H     GLN  107 - QD2   LEU   89  far    0    99   0   -  9.0-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3200 from c13no.peaks (6.93, 0.74, 23.43 ppm; 4.17 A):
    1 out of 5 assignments used, quality = 0.93:
      QD    PHE   92 + QD2   LEU   89  OK    93    97 100  96  3.3-4.1   2.4/3185=58, 4.5/3197=46, 145/1680=45, 3192/856=33...(7)
      HE22  GLN  107 - QD2   LEU  345  far    0    59   0   -  5.6-27.2
      H     LEU   96 - QD2   LEU   89  far    0    99   0   -  6.9-8.0
      HE22  GLN   59 - QD2   LEU   89  far    0    93   0   -  8.6-9.9
      HE22  GLN  107 - QD2   LEU   89  far    0    63   0   -  8.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3201 from c13no.peaks (2.47, 2.14, 37.01 ppm; 3.94 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    GLU   90 + QG    GLU   90  OK   100   100 100 100  2.0-2.1   2.1=100
      QG    GLN   82 - QG    GLU   90  far    0    68   0   -  9.6-14.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3202 from c13no.peaks (4.04, 2.14, 37.01 ppm; 4.38 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    GLU   90 + QG    GLU   90  OK    99    99 100 100  2.2-3.0   3.4=100
      HA    LEU   96 - QG    GLU   90  far    0    76   0   -  9.8-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3204 from c13no.peaks (4.49, 2.47, 30.18 ppm; 5.15 A):
    1 out of 2 assignments used, quality = 0.78:
      HA    LEU   87 + QB    GLU   90  OK    78   100 100  79  2.8-3.4   407/1143=78
      HA    ALA   95 - QB    GLU   90  far    0   100   0   -  7.8-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3205 from c13no.peaks (7.39, 2.47, 30.18 ppm; 5.28 A increased from 4.97 A):
    1 out of 3 assignments used, quality = 0.72:
      QE    PHE   47 + QB    GLU   90  OK    72    81 100  90  4.7-5.1   98/4.0=54, 425/1164=34, 3164/7.8=27, 314/5.4=24...(6)
      HH2   TRP   72 - QB    GLU   90  far    0    99   0   -  6.2-7.3
      HZ2   TRP   72 - QB    GLU   90  far    0    71   0   -  8.3-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3206 from c13no.peaks (7.76, 2.47, 30.18 ppm; 4.13 A):
    1 out of 2 assignments used, quality = 0.96:
      H     GLU   90 + QB    GLU   90  OK    96    96 100 100  2.2-2.5   3.3=100
      H     GLY   94 - QB    GLU   90  far    0    90   0   -  4.3-4.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3207 from c13no.peaks (7.92, 2.47, 30.18 ppm; 4.81 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN   91 + QB    GLU   90  OK   100   100 100 100  2.7-2.8   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3208 from c13no.peaks (7.76, 4.04, 59.81 ppm; 3.83 A):
    2 out of 2 assignments used, quality = 0.95:
      H     GLU   90 + HA    GLU   90  OK    87    87 100 100  2.8-2.8   3.0=100
      H     GLY   94 + HA    GLU   90  OK    58    97 100  60  3.1-3.5   435/5.3=29, 1176/3277=26, 430/6.9=16, 437/8.3=10
    Violated in 0 structures by 0.00 A.
 
    Peak 3209 from c13no.peaks (1.28, 1.84, 34.10 ppm; 4.04 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   GLN   91 + HG2   GLN   91  OK   100   100 100 100  1.8-1.8   1.8=100
      QG2   THR   56 - HG2   GLN   91  far    0   100   0   -  9.1-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3210 from c13no.peaks (1.84, 1.28, 34.10 ppm; 3.91 A):
    1 out of 4 assignments used, quality = 0.99:
      HG2   GLN   91 + HG3   GLN   91  OK    99    99 100 100  1.8-1.8   1.8=100
      QB    ARG   66 - HG3   GLN   91  far    0    89   0   -  7.8-10.3
      HG    LEU   84 - HG3   GLN   91  far    0    71   0   -  8.8-12.3
      HG3   PRO  112 - HG3   GLN   91  far    0    78   0   -  9.4-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3211 from c13no.peaks (1.69, 1.28, 34.10 ppm; 4.14 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    GLN   91 + HG3   GLN   91  OK   100   100 100 100  2.1-2.3   2.5=100
      HB3   LEU   87 - HG3   GLN   91  far    0   100   0   -  4.8-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3212 from c13no.peaks (1.68, 1.84, 34.10 ppm; 3.80 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    GLN   91 + HG2   GLN   91  OK   100   100 100 100  2.1-2.3   2.5=100
      HB3   LEU   87 - HG2   GLN   91  far    0    99   0   -  5.2-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3213 from c13no.peaks (0.76, 1.84, 34.10 ppm; 4.87 A):
    1 out of 5 assignments used, quality = 1.00:
      QD1   LEU   65 + HG2   GLN   91  OK   100   100 100 100  3.0-4.3   2.1/3214=87, 3218/2.5=72, ~3216=66, 3215/1.8=64...(12)
      QD1   LEU   87 - HG2   GLN   91  far    0    85   0   -  6.1-8.3
      QD2   LEU   89 - HG2   GLN   91  far    0    81   0   -  7.1-8.6
      QD1   LEU   84 - HG2   GLN   91  far    0    85   0   -  8.3-9.9
      QD2   LEU   45 - HG2   GLN   91  far    0    60   0   -  8.4-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3214 from c13no.peaks (0.60, 1.84, 34.10 ppm; 4.32 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   65 + HG2   GLN   91  OK   100   100 100 100  1.9-2.5   3216/1.8=79, 2.1/3213=61, 3217/2.5=54, 779/776=44...(12)
      HG2   ARG   44 - HG2   GLN   91  far    0    99   0   -  7.7-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3215 from c13no.peaks (0.75, 1.28, 34.10 ppm; 5.50 A increased from 4.75 A):
    1 out of 5 assignments used, quality = 1.00:
      QD1   LEU   65 + HG3   GLN   91  OK   100   100 100 100  2.6-5.5   2.1/3216=98, 3213/1.8=92, 3218/2.5=85, ~3214=78...(11)
      QD1   LEU   87 - HG3   GLN   91  far    0    95   0   -  6.0-7.7
      QD2   LEU   89 - HG3   GLN   91  far    0    92   0   -  7.0-8.7
      QD2   LEU   45 - HG3   GLN   91  far    0    76   0   -  7.8-10.9
      QD1   LEU   84 - HG3   GLN   91  far    0    95   0   -  8.4-10.1
    Violated in 2 structures by 0.00 A.
 
    Peak 3216 from c13no.peaks (0.60, 1.28, 34.10 ppm; 4.19 A):
    1 out of 2 assignments used, quality = 0.99:
      QD2   LEU   65 + HG3   GLN   91  OK    99   100 100  99  1.9-3.9   3214/1.8=72, 3217/2.5=50, 2.1/3215=43, ~3213=42...(11)
      HG2   ARG   44 - HG3   GLN   91  far    0   100   0   -  6.9-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3217 from c13no.peaks (0.60, 1.69, 29.86 ppm; 5.00 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   65 + QB    GLN   91  OK   100   100 100 100  1.9-3.2   3216/2.5=85, 3214/2.5=84, 2.1/3218=80, 1171/4.0=59...(13)
      HG2   ARG   44 - QB    GLN   91  far    0    99   0   -  7.1-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3218 from c13no.peaks (0.76, 1.69, 29.86 ppm; 4.84 A):
    1 out of 6 assignments used, quality = 1.00:
      QD1   LEU   65 + QB    GLN   91  OK   100   100 100 100  3.0-3.9   2.1/3217=73, 3213/2.5=71, 2401/4.0=64, 3219/2.5=58...(13)
      QD1   LEU   87 - QB    GLN   91  far    2    85   3   -  4.6-5.7
      QD2   LEU   89 - QB    GLN   91  far    0    81   0   -  5.6-6.1
      QD1   LEU   84 - QB    GLN   91  far    0    85   0   -  7.1-8.0
      QD2   LEU   45 - QB    GLN   91  far    0    60   0   -  8.1-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3219 from c13no.peaks (0.76, 3.97, 57.62 ppm; 5.50 A increased from 4.57 A):
    1 out of 5 assignments used, quality = 0.60:
      QD1   LEU   65 + HA    GLN   91  OK    60   100  60 100  5.0-5.8   3218/2.5=85, 2401/3.6=83, 3213/4.0=69, 2394/5.4=68...(10)
      QD2   LEU   89 - HA    GLN   91  far    0    81   0   -  6.3-7.1
      QD1   LEU   87 - HA    GLN   91  far    0    85   0   -  7.1-8.1
      QD2   LEU   45 - HA    GLN   91  far    0    60   0   -  9.1-10.8
      QD1   LEU   84 - HA    GLN   91  far    0    85   0   - 10.0-11.0
    Violated in 12 structures by 0.07 A.
 
    Peak 3220 from c13no.peaks (3.75, 3.97, 57.62 ppm; 4.01 A):
    1 out of 4 assignments used, quality = 0.82:
      HA3   GLY   94 + HA    GLN   91  OK    82   100 100  82  3.6-4.1   3.0/435=60, 450/1860=37, 5.9/1863=22, 8.6/427=5
      HA    LEU   93 - HA    GLN   91  far    0   100   0   -  6.6-6.9
      HA    LEU   62 - HA    GLN   91  far    0    65   0   -  8.3-9.5
      HA    LEU   45 - HA    GLN   91  far    0    98   0   -  9.5-10.2
    Violated in 2 structures by 0.00 A.
 
    Peak 3222 from c13no.peaks (3.78, 1.84, 34.10 ppm; 5.43 A):
    0 out of 8 assignments used, quality = 0.00:
      HA    LEU   62 + HG2   GLN   91  far    0   100   0   -  6.1-7.8
      HA3   GLY   94 + HG2   GLN   91  far    0    73   0   -  6.5-7.5
      HA    ARG   66 + HG2   GLN   91  far    0    85   0   -  7.4-8.9
      HA    LEU   93 + HG2   GLN   91  far    0    60   0   -  7.6-9.3
      HA2   GLY   94 + HG2   GLN   91  far    0    99   0   -  7.9-9.1
      HA    LEU   45 + HG2   GLN   91  far    0    87   0   -  8.0-9.7
      HA    LEU   84 + HG2   GLN   91  far    0    87   0   -  8.7-10.1
      HD3   PRO  112 + HG2   GLN   91  far    0    71   0   -  9.7-10.9
    Violated in 20 structures by 0.33 A.
 
    Peak 3223 from c13no.peaks (6.46, 1.28, 34.10 ppm; 4.83 A):
    1 out of 1 assignment used, quality = 0.96:
      HE22  GLN   91 + HG3   GLN   91  OK    96    96 100 100  2.2-3.8   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3224 from c13no.peaks (6.67, 1.28, 34.10 ppm; 5.39 A):
    1 out of 1 assignment used, quality = 1.00:
      HE21  GLN   91 + HG3   GLN   91  OK   100   100 100 100  2.1-4.1   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3226 from c13no.peaks (6.46, 1.84, 34.10 ppm; 4.89 A):
    1 out of 1 assignment used, quality = 0.96:
      HE22  GLN   91 + HG2   GLN   91  OK    96    96 100 100  2.1-4.0   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3227 from c13no.peaks (6.68, 1.84, 34.10 ppm; 5.08 A):
    1 out of 1 assignment used, quality = 0.99:
      HE21  GLN   91 + HG2   GLN   91  OK    99    99 100 100  2.2-3.7   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3228 from c13no.peaks (0.28, 3.99, 61.73 ppm; 5.33 A increased from 5.01 A):
    1 out of 1 assignment used, quality = 0.97:
      QD2   LEU   62 + HA    PHE   92  OK    97    97 100 100  3.9-5.1   2308/3.7=80, 2261/2394=79, 3238/3.0=76, 2317/3.0=74...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 3229 from c13no.peaks (0.60, 3.99, 61.73 ppm; 4.63 A increased from 4.36 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   65 + HA    PHE   92  OK    99    99 100 100  3.3-4.5   2.1/2394=96, 1171/3.0=63, 281/3240=60, 2360/3.0=57...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 3230 from c13no.peaks (0.75, 3.99, 61.73 ppm; 3.44 A):
    1 out of 3 assignments used, quality = 1.00:
      QD1   LEU   65 + HA    PHE   92  OK   100   100 100 100  2.3-3.2   2394=100, 2401/3.0=42, 2395/3.7=41, 3233/3.0=40...(20)
      QD2   LEU   89 - HA    PHE   92  far    0    90   0   -  5.5-6.3
      QD1   LEU   87 - HA    PHE   92  far    0    93   0   -  8.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3231 from c13no.peaks (0.87, 3.99, 61.73 ppm; 4.12 A):
    0 out of 3 assignments used, quality = 0.00:
      QQG   VAL  104 + HA    PHE   92  far    0   100   0   -  7.0-7.4
      QG2   ILE  100 + HA    PHE   92  far    0    60   0   -  7.5-7.9
      QD1   ILE  100 + HA    PHE   92  far    0    98   0   -  9.1-9.6
    Violated in 20 structures by 2.41 A.
 
    Peak 3232 from c13no.peaks (1.60, 3.99, 61.73 ppm; 4.06 A):
    1 out of 4 assignments used, quality = 0.98:
      QB    ALA   95 + HA    PHE   92  OK    98    98 100 100  2.6-3.0   1716=62, 2.9/3241=49, 1712/2394=45, 1722/3240=43...(14)
      QG    ARG   48 - HA    PHE   92  far    0    92   0   -  8.0-9.4
      QG    ARG   66 - HA    PHE   92  far    0    96   0   -  8.8-10.1
      HG12  ILE  100 - HA    PHE   92  far    0    68   0   -  9.7-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3233 from c13no.peaks (0.76, 3.05, 39.89 ppm; 4.22 A):
    1 out of 8 assignments used, quality = 0.99:
      QD1   LEU   65 + HB3   PHE   92  OK    99    99 100 100  1.9-3.0   2395/2.4=80, 2394/3.0=75, 1170/4.0=49, 2.1/2360=41...(14)
      QD2   LEU   89 - HB3   PHE   92  far    2    76   3   -  4.0-5.3
      QD1   LEU   87 - HB3   PHE   47  far    0    47   0   -  6.4-7.3
      QD1   LEU   87 - HB3   PHE   92  far    0    81   0   -  7.3-8.9
      QD1   LEU   65 - HB3   PHE   47  far    0    64   0   -  7.3-8.0
      QD1   LEU   84 - HB3   PHE   47  far    0    47   0   -  7.4-8.3
      QD1   LEU   84 - HB3   PHE   92  far    0    81   0   -  9.5-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3234 from c13no.peaks (0.75, 3.10, 39.89 ppm; 4.26 A):
    2 out of 3 assignments used, quality = 0.99:
      QD2   LEU   89 + HB2   PHE   92  OK    90    90 100  99  3.0-3.9   3185=79, 3200/2.4=63, 856/3168=60, 3197/4.4=45...(7)
      QD1   LEU   65 + HB2   PHE   92  OK    87   100  88 100  3.2-4.5   2395/2.4=82, 2394/3.0=77, 3233/1.8=76, 2401/429=53...(13)
      QD1   LEU   87 - HB2   PHE   92  far    0    93   0   -  7.9-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3235 from c13no.peaks (1.59, 3.05, 39.89 ppm; 5.33 A):
    2 out of 8 assignments used, quality = 0.85:
      QB    ALA   95 + HB3   PHE   92  OK    73    73 100  99  4.8-5.2   3232/3.0=73, 1712/3233=49, ~3241=46, 1726/4.4=45...(10)
      QB    ALA   43 + HB3   PHE   47  OK    44    47 100  94  4.1-4.7   2504/2508=69, 4.5/1809=47, 1627/6.3=36, 1653/662=30...(6)
      HG    LEU   45 - HB3   PHE   47  far    0    36   0   -  6.0-8.1
      QG    ARG   66 - HB3   PHE   92  far    0   100   0   -  7.4-8.5
      QB    ALA   95 - HB3   PHE   47  far    0    42   0   -  8.5-9.0
      QG    ARG   74 - HB3   PHE   47  far    0    66   0   -  9.1-9.9
      QG    ARG   66 - HB3   PHE   47  far    0    66   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3236 from c13no.peaks (1.94, 3.05, 39.89 ppm; 4.98 A):
    2 out of 7 assignments used, quality = 0.97:
      HB2   LEU   65 + HB3   PHE   92  OK    94    99  95 100  4.1-4.9   3.1/3233=78, ~2395=53, 3.1/2360=49, ~2394=46...(10)
      QB    ARG   46 + HB3   PHE   47  OK    52    54  95 100  4.1-4.6   677/675=79, 3.3/662=69, 2505/2508=62, 6.3=49...(9)
      HB2   LEU   93 - HB3   PHE   92  far    0    97   0   -  5.5-7.1
      HB2   LEU   65 - HB3   PHE   47  far    0    65   0   -  7.7-8.7
      HB3   GLU  113 - HB3   PHE   92  far    0    78   0   -  9.1-10.1
      HG    LEU  118 - HB3   PHE   92  far    0    99   0   -  9.3-10.4
      HB    VAL  104 - HB3   PHE   92  far    0    71   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3237 from c13no.peaks (0.28, 3.05, 39.89 ppm; 4.92 A):
    2 out of 6 assignments used, quality = 0.98:
      QD2   LEU   62 + HB3   PHE   92  OK    97    97 100 100  2.2-3.1   2308/2.4=89, 3238/1.8=81, 2261/3233=66, 3228/3.0=59...(13)
      HB3   ARG   44 + HB3   PHE   47  OK    32    48  75  87  4.5-5.6   3.0/1809=53, ~1810=51, 7.9/662=23, 5.8/3235=14...(6)
      QD1   LEU   73 - HB3   PHE   47  far    0    65   0   -  5.5-6.3
      QD1   LEU   73 - HB3   PHE   92  far    0    99   0   -  9.2-10.4
      QD2   LEU   62 - HB3   PHE   47  far    0    61   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3238 from c13no.peaks (0.28, 3.10, 39.89 ppm; 4.87 A):
    1 out of 2 assignments used, quality = 0.97:
      QD2   LEU   62 + HB2   PHE   92  OK    97    97 100 100  2.8-3.8   2308/2.4=88, 2.1/2277=61, 3237/1.8=59, 3228/3.0=58...(14)
      QD1   LEU   73 - HB2   PHE   92  far    0    99   0   -  9.7-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3239 from c13no.peaks (6.92, 3.99, 61.73 ppm; 3.73 A):
    1 out of 4 assignments used, quality = 1.00:
      QD    PHE   92 + HA    PHE   92  OK   100   100 100 100  2.4-3.1   3.7=100
      H     LEU   96 - HA    PHE   92  far    0    87   0   -  4.4-5.8
      HZ    PHE   92 - HA    PHE   92  far    0    71   0   -  5.9-6.2
      H     PHE   50 - HA    PHE   92  far    0    78   0   -  7.3-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3240 from c13no.peaks (7.02, 3.99, 61.73 ppm; 4.65 A increased from 4.37 A):
    1 out of 2 assignments used, quality = 0.99:
      QD    PHE   50 + HA    PHE   92  OK    99    99 100  99  3.3-4.4   284/2394=77, 1722/3232=64, 2.2/84=63, 281/3229=61
      HD2   HIS   51 - HA    PHE   92  far    0    85   0   -  8.3-8.9
    Violated in 1 structures by 0.00 A.
 
    Peak 3241 from c13no.peaks (7.62, 3.99, 61.73 ppm; 4.73 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ALA   95 + HA    PHE   92  OK    98    98 100 100  3.5-3.9   2.9/3232=77, 439/3.6=64, 449=61, 426/3.0=60...(12)
      HE21  GLN  101 - HA    PHE   92  far    0   100   0   -  7.5-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3242 from c13no.peaks (8.14, 3.99, 61.73 ppm; 4.58 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU   93 + HA    PHE   92  OK   100   100 100 100  3.5-3.6   3.6=100
      H     LEU   62 - HA    PHE   92  far    0    90   0   -  5.9-7.1
      H     GLN   64 - HA    PHE   92  far    0    99   0   -  8.1-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3243 from c13no.peaks (9.16, 3.99, 61.73 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 0.99:
      H     PHE   92 + HA    PHE   92  OK    99    99 100 100  2.8-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3244 from c13no.peaks (6.92, 3.05, 39.89 ppm; 4.43 A):
    1 out of 3 assignments used, quality = 0.99:
      QD    PHE   92 + HB3   PHE   92  OK    99    99 100 100  2.3-2.5   2.4=100
      H     LEU   96 - HB3   PHE   92  far    0    98   0   -  6.4-7.8
      HE22  GLN   59 - HB3   PHE   92  far    0    96   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3245 from c13no.peaks (7.64, 3.05, 39.89 ppm; 5.04 A):
    1 out of 4 assignments used, quality = 0.62:
      H     PHE   47 + HB3   PHE   47  OK    62    62 100 100  2.1-2.2   4.0=100
      H     ALA   95 - HB3   PHE   92  far    0    68   0   -  5.7-5.9
      HE21  GLN  101 - HB3   PHE   92  far    0    85   0   -  8.4-9.4
      HE21  GLN   59 - HB3   PHE   92  far    0    78   0   - 10.0-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3246 from c13no.peaks (8.14, 3.05, 39.89 ppm; 4.50 A):
    1 out of 3 assignments used, quality = 0.97:
      H     LEU   93 + HB3   PHE   92  OK    97    97 100 100  3.6-3.9   4.4=100
      H     LEU   62 - HB3   PHE   92  far    0    71   0   -  4.7-6.2
      H     GLN   64 - HB3   PHE   92  far    0    90   0   -  7.1-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3247 from c13no.peaks (9.16, 3.05, 39.89 ppm; 4.05 A):
    1 out of 2 assignments used, quality = 0.99:
      H     PHE   92 + HB3   PHE   92  OK    99    99 100 100  2.3-2.7   4.0=100
      H     PHE   92 - HB3   PHE   47  far    0    63   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3248 from c13no.peaks (6.92, 3.10, 39.89 ppm; 4.43 A):
    1 out of 3 assignments used, quality = 0.99:
      QD    PHE   92 + HB2   PHE   92  OK    99    99 100 100  2.3-2.4   2.4=100
      H     LEU   96 - HB2   PHE   92  far    0    98   0   -  5.9-7.4
      HE22  GLN   59 - HB2   PHE   92  far    0    96   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3249 from c13no.peaks (8.14, 3.10, 39.89 ppm; 4.41 A):
    1 out of 3 assignments used, quality = 0.97:
      H     LEU   93 + HB2   PHE   92  OK    97    97 100 100  2.2-2.6   4.4=100
      H     LEU   62 - HB2   PHE   92  far    0    71   0   -  6.0-7.6
      H     GLN   64 - HB2   PHE   92  far    0    90   0   -  8.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3250 from c13no.peaks (9.17, 3.10, 39.89 ppm; 4.03 A):
    1 out of 1 assignment used, quality = 0.89:
      H     PHE   92 + HB2   PHE   92  OK    89    89 100 100  2.3-2.6   4.0=99, 129/2.4=58, 419/444=49, 413/1158=36...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3251 from c13no.peaks (0.79, 1.37, 41.68 ppm; 3.35 A):
    1 out of 2 assignments used, quality = 0.99:
      QD2   LEU   93 + HB3   LEU   93  OK    99    99 100 100  2.3-3.2   3.1=100
      QD1   LEU   89 - HB3   LEU   93  far    0    71   0   -  3.6-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3252 from c13no.peaks (1.38, 0.93, 26.01 ppm; 3.31 A):
    2 out of 3 assignments used, quality = 0.98:
      HB3   LEU   93 + QD1   LEU   93  OK    93    93 100 100  2.3-2.4   3.1=100
      QB    ALA  115 + QD1   LEU   93  OK    69    78 100  89  2.6-3.2   1682/3270=32, 3253/2.1=30, ~3278=29, 2.9/3299=21...(12)
      HG    LEU   62 - QD1   LEU   93  far    0    97   0   -  8.5-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3253 from c13no.peaks (1.38, 0.80, 23.98 ppm; 3.13 A):
    2 out of 3 assignments used, quality = 0.98:
      HB3   LEU   93 + QD2   LEU   93  OK    93    93 100 100  2.3-3.2   3.1=100
      QB    ALA  115 + QD2   LEU   93  OK    72    78 100  92  1.8-2.0   2.1/3278=43, 3320/3318=30, 2.9/3293=27, 1682/3266=26...(10)
      HG    LEU   62 - QD2   LEU   93  far    0    97   0   -  7.1-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3254 from c13no.peaks (0.94, 1.37, 41.68 ppm; 3.32 A):
    1 out of 4 assignments used, quality = 0.99:
      QD1   LEU   93 + HB3   LEU   93  OK    99    99 100 100  2.3-2.4   3.1=100
      HB3   LEU   96 - HB3   LEU   93  far    0    81   0   -  5.9-7.1
      QD1   LEU  118 - HB3   LEU   93  far    0    98   0   -  6.2-7.3
      QD2   LEU  118 - HB3   LEU   93  far    0    68   0   -  7.9-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3255 from c13no.peaks (1.94, 1.37, 41.68 ppm; 3.12 A):
    1 out of 6 assignments used, quality = 0.99:
      HB2   LEU   93 + HB3   LEU   93  OK    99    99 100 100  1.8-1.8   1.8=100
      HB3   GLN  101 - HB3   LEU   93  far    0    95   0   -  5.8-7.4
      HB3   PRO  112 - HB3   LEU   93  far    0    60   0   -  6.0-8.3
      HB    VAL  104 - HB3   LEU   93  far    0    63   0   -  6.1-7.5
      HG    LEU  118 - HB3   LEU   93  far    0   100   0   -  8.8-9.9
      HB3   ARG  103 - HB3   LEU   93  far    0    81   0   -  9.6-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3256 from c13no.peaks (1.99, 1.37, 41.68 ppm; 3.34 A):
    1 out of 4 assignments used, quality = 1.00:
      HG    LEU   93 + HB3   LEU   93  OK   100   100 100 100  2.3-3.0   3.0=100
      HB    VAL  104 - HB3   LEU   93  far    0    68   0   -  6.1-7.5
      HB2   PRO  109 - HB3   LEU   93  far    0   100   0   -  8.4-9.3
      HB2   ARG  103 - HB3   LEU   93  far    0   100   0   -  9.8-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3257 from c13no.peaks (1.37, 1.93, 41.68 ppm; 3.27 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LEU   93 + HB2   LEU   93  OK   100   100 100 100  1.8-1.8   1.8=100
      HG    LEU   62 - HB2   LEU   93  far    0    73   0   -  8.4-11.5
      HB3   LEU   65 - HB2   LEU   93  far    0    83   0   -  9.3-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3258 from c13no.peaks (0.54, 1.93, 41.68 ppm; 4.93 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HB2   LEU   93  OK   100   100 100 100  3.9-4.6   3318/3.1=93, 3332/2.9=92, 3265/3.0=72, 768/3281=55...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 3260 from c13no.peaks (-0.08, 3.75, 57.75 ppm; 4.78 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   96 + HA    LEU   93  OK    99    99 100 100  2.7-4.4   2.1/3332=98, 2.1/3330=84, ~768=46, ~3258=44...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 3261 from c13no.peaks (0.54, 3.75, 57.75 ppm; 3.70 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HA    LEU   93  OK   100   100 100 100  1.9-2.5   3332=100, 3318/881=63, 2.1/3330=54, 2.1/3260=44...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3262 from c13no.peaks (1.37, 2.00, 27.63 ppm; 3.84 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   93 + HG    LEU   93  OK   100   100 100 100  2.3-3.0   3.0=100
      HG    LEU   62 - HG    LEU   93  far    0    73   0   -  8.1-11.5
      HB3   LEU   65 - HG    LEU   93  far    0    83   0   -  9.5-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3263 from c13no.peaks (0.80, 2.00, 27.63 ppm; 3.23 A):
    1 out of 4 assignments used, quality = 1.00:
      QD2   LEU   93 + HG    LEU   93  OK   100   100 100 100  2.1-2.1   2.1=100
      QD1   LEU   89 - HG    LEU   93  far    0    87   0   -  4.0-6.7
      HG    LEU   73 - QG    PRO   75  far    0    96   0   -  4.7-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3264 from c13no.peaks (0.69, 2.00, 27.63 ppm; 3.80 A):
    0 out of 2 assignments used, quality = 0.00:
      QD1   LEU   86 + QG    PRO   75  far    0    63   0   -  7.3-8.8
    Violated in 20 structures by 1.56 A.
 
    Peak 3265 from c13no.peaks (0.54, 2.00, 27.63 ppm; 4.61 A):
    1 out of 2 assignments used, quality = 1.00:
      QD1   LEU   96 + HG    LEU   93  OK   100   100 100 100  3.1-4.1   3318/2.1=99, 3332/389=72, 3258/3.0=59, 768/3285=42...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 3266 from c13no.peaks (1.75, 0.80, 23.98 ppm; 3.73 A):
    1 out of 6 assignments used, quality = 0.98:
      HG3   PRO  109 + QD2   LEU   93  OK    98   100 100  98  2.7-3.4   3270/2.1=75, 2.3/3276=57, ~3275=34, 3887/3278=30...(8)
      HG    LEU   89 - QD2   LEU   93  far    0    83   0   -  4.8-5.8
      HG3   ARG  103 - QD2   LEU   93  far    0    99   0   -  6.8-9.2
      HB2   ARG  108 - QD2   LEU   93  far    0    96   0   -  6.9-8.1
      HB2   LEU   62 - QD2   LEU   93  far    0   100   0   -  7.6-9.7
      HG3   ARG  123 - QD2   LEU   93  far    0   100   0   -  9.6-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3267 from c13no.peaks (1.93, 0.80, 23.98 ppm; 3.40 A):
    1 out of 8 assignments used, quality = 1.00:
      HB2   LEU   93 + QD2   LEU   93  OK   100   100 100 100  2.3-3.2   3.1=100
      HG    LEU  118 - QD2   LEU   93  far    0   100   0   -  4.7-5.1
      HB3   GLN  101 - QD2   LEU   93  far    0    83   0   -  4.8-6.0
      HB3   PRO  112 - QD2   LEU   93  far    0    78   0   -  5.4-6.6
      HB3   ARG  103 - QD2   LEU   93  far    0    93   0   -  6.4-7.4
      HG    LEU  122 - QD2   LEU   93  far    0   100   0   -  7.5-8.2
      HB3   GLU  113 - QD2   LEU   93  far    0    96   0   -  8.6-9.4
      HB2   LEU   65 - QD2   LEU   93  far    0    90   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3268 from c13no.peaks (2.00, 0.80, 23.98 ppm; 3.10 A):
    1 out of 7 assignments used, quality = 0.98:
      HG    LEU   93 + QD2   LEU   93  OK    98    98 100 100  2.1-2.1   2.1=100
      HB2   PRO  109 - QD2   LEU   93  far    0    92   0   -  4.6-5.2
      HB2   ARG  103 - QD2   LEU   93  far    0    97   0   -  6.6-8.3
      HB2   GLU  113 - QD2   LEU   93  far    0    97   0   -  8.2-9.0
      HB3   PRO   97 - QD2   LEU   93  far    0    60   0   -  8.8-9.4
      QB    GLU   54 - QD2   LEU   93  far    0    96   0   -  9.0-10.5
      HB3   PRO   98 - QD2   LEU   93  far    0    89   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3269 from c13no.peaks (2.37, 0.80, 23.98 ppm; 4.49 A increased from 3.99 A):
    1 out of 4 assignments used, quality = 0.89:
      HG2   GLN  101 + QD2   LEU   93  OK    89   100 100  89  3.4-4.3   3324/3318=67, 3.4/3291=47, ~1199=26, ~1197=12
      QG    GLN  105 - QD2   LEU   93  far    0    68   0   -  5.3-6.4
      HB2   PRO   58 - QD2   LEU   93  far    0    85   0   -  6.8-7.3
      HG2   GLU  114 - QD2   LEU   93  far    0    90   0   -  7.5-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3270 from c13no.peaks (1.75, 0.93, 26.01 ppm; 3.46 A):
    1 out of 7 assignments used, quality = 0.95:
      HG3   PRO  109 + QD1   LEU   93  OK    95   100 100  96  2.5-3.4   3266/2.1=60, 2.3/3275=45, 3681=35, 2.3/3675=31...(9)
      HG    LEU   89 - QD1   LEU   93  lone   0    83  43   1  2.9-5.1
      HB2   ARG  108 - QD1   LEU   93  far    0    96   0   -  5.5-7.1
      HG3   ARG  103 - QD1   LEU   93  far    0    99   0   -  8.2-10.6
      HB2   LEU   62 - QD1   LEU   93  far    0   100   0   -  9.2-11.1
      HB2   LEU   86 - QD1   LEU   93  far    0    95   0   -  9.5-10.9
      QB    LEU   84 - QD1   LEU   93  far    0   100   0   -  9.9-10.8
    Violated in 1 structures by 0.00 A.
 
    Peak 3271 from c13no.peaks (1.94, 0.93, 26.01 ppm; 3.05 A):
    1 out of 8 assignments used, quality = 0.94:
      HB2   LEU   93 + QD1   LEU   93  OK    94    95 100  99  2.1-2.4   3.1=93, 2.9/877=36, 4.0/3300=24, ~881=21...(9)
      HB    VAL  104 - QD1   LEU   93  far    0    78   0   -  4.6-5.1
      HB3   GLN  101 - QD1   LEU   93  far    0    99   0   -  5.8-6.6
      HG    LEU  118 - QD1   LEU   93  far    0    98   0   -  6.2-6.8
      HB3   ARG  103 - QD1   LEU   93  far    0    65   0   -  8.2-8.7
      HB3   GLU  113 - QD1   LEU   93  far    0    71   0   -  8.9-10.1
      HG    LEU  122 - QD1   LEU   93  far    0    98   0   -  9.6-10.4
      HB2   LEU   65 - QD1   LEU   93  far    0   100   0   -  9.7-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3272 from c13no.peaks (2.00, 0.93, 26.01 ppm; 3.07 A):
    1 out of 4 assignments used, quality = 0.98:
      HG    LEU   93 + QD1   LEU   93  OK    98    98 100 100  2.1-2.1   2.1=100
      HB2   PRO  109 - QD1   LEU   93  far    0    92   0   -  4.7-5.5
      HB2   ARG  103 - QD1   LEU   93  far    0    97   0   -  8.2-9.6
      HB2   GLU  113 - QD1   LEU   93  far    0    97   0   -  8.3-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3273 from c13no.peaks (2.37, 0.93, 26.01 ppm; 3.81 A):
    0 out of 5 assignments used, quality = 0.00:
      QG    GLN  105 + QD1   LEU   93  far    0    68   0   -  4.6-5.7
      HG2   GLN  101 + QD1   LEU   93  far    0   100   0   -  5.1-5.6
      HG2   GLU  114 + QD1   LEU   93  far    0    90   0   -  6.9-7.9
      HB2   PRO   58 + QD1   LEU   93  far    0    85   0   -  8.8-9.6
      HG2   GLU   85 + QD1   LEU   93  far    0    90   0   - 10.0-11.0
    Violated in 20 structures by 0.88 A.
 
    Peak 3274 from c13no.peaks (1.61, 3.75, 57.75 ppm; 5.38 A increased from 4.31 A):
    1 out of 1 assignment used, quality = 1.00:
      QB    ALA   95 + HA    LEU   93  OK   100   100 100 100  4.9-5.2   1726/3.0=78, 1177/3.6=77, 1716/5.4=64, 5.6/3332=62...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 3275 from c13no.peaks (3.62, 0.93, 26.01 ppm; 4.33 A increased from 4.08 A):
    1 out of 1 assignment used, quality = 0.86:
      HD3   PRO  109 + QD1   LEU   93  OK    86    87 100  99  3.9-4.4   2.3/3270=87, 3276/2.1=76, ~3266=53, 1.8/3675=49...(7)
    Violated in 3 structures by 0.00 A.
 
    Peak 3276 from c13no.peaks (3.62, 0.80, 23.98 ppm; 4.15 A):
    1 out of 1 assignment used, quality = 0.59:
      HD3   PRO  109 + QD2   LEU   93  OK    59    71  85  99  3.8-4.3   2.3/3266=78, 3275/2.1=66, ~3270=51, ~3675=40...(7)
    Violated in 4 structures by 0.04 A.
 
    Peak 3277 from c13no.peaks (4.02, 1.93, 41.68 ppm; 5.10 A):
    1 out of 4 assignments used, quality = 0.27:
      HA    GLU   90 + HB2   LEU   93  OK    27    89 100  30  3.0-4.6   3208/1176=24, 8.3/144=5, 6.1/396=2
      HA    PHE   92 - HB2   LEU   93  far    0    63   0   -  5.5-6.6
      HB3   SER  111 - HB2   LEU   93  far    0    65   0   -  8.3-10.5
      HA    ILE  100 - HB2   LEU   93  far    0    97   0   -  9.4-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3278 from c13no.peaks (3.96, 0.80, 23.98 ppm; 3.99 A increased from 3.75 A):
    1 out of 8 assignments used, quality = 0.68:
      HA    ALA  115 + QD2   LEU   93  OK    68    76 100  90  3.5-3.9   2.9/3293=48, 2.1/3253=39, 3887/3266=37, ~3299=25...(7)
      HA    PRO  112 - QD2   LEU   93  far    6    83   8   -  3.9-5.0
      HA    LEU   89 - QD2   LEU   93  far    0    73   0   -  4.5-5.6
      HA    GLN  105 - QD2   LEU   93  far    0    93   0   -  4.9-5.7
      HA    GLN   91 - QD2   LEU   93  far    0    97   0   -  6.8-7.6
      QA    GLY  106 - QD2   LEU   93  far    0    99   0   -  7.5-8.0
      HA    GLN   59 - QD2   LEU   93  far    0   100   0   -  9.1-9.8
      QA    GLY  121 - QD2   LEU   93  far    0    89   0   -  9.3-9.8
    Violated in 1 structures by 0.00 A.
 
    Peak 3279 from c13no.peaks (3.97, 0.93, 26.01 ppm; 3.79 A):
    0 out of 6 assignments used, quality = 0.00:
      HA    PRO  112 + QD1   LEU   93  far    0    99   0   -  4.3-5.5
      HA    GLN  105 + QD1   LEU   93  far    0   100   0   -  4.3-4.9
      HB3   SER  111 + QD1   LEU   93  far    0    81   0   -  6.2-7.2
      HA    PHE   92 + QD1   LEU   93  far    0    83   0   -  6.6-7.0
      HA    GLN   91 + QD1   LEU   93  far    0   100   0   -  7.1-7.5
      QA    GLY  106 + QD1   LEU   93  far    0    81   0   -  7.4-7.9
    Violated in 20 structures by 0.37 A.
 
    Peak 3280 from c13no.peaks (7.77, 1.93, 41.68 ppm; 4.41 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLY   94 + HB2   LEU   93  OK   100   100 100 100  2.6-3.6   1176=89, 1178/1.8=88, 422/4.0=63, 1179/3.1=56...(16)
      H     GLU   90 - HB2   LEU   93  far    0    68   0   -  4.9-6.8
      H     ALA  117 - HB2   LEU   93  far    0    95   0   -  9.1-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3281 from c13no.peaks (8.13, 1.93, 41.68 ppm; 4.01 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   93 + HB2   LEU   93  OK   100   100 100 100  2.1-3.5   4.0=98, 765/1.8=85, 767/3.1=63, 3300/3.1=55...(20)
      H     LEU   62 - HB2   LEU   93  far    0    93   0   -  9.8-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3282 from c13no.peaks (8.14, 1.37, 41.68 ppm; 3.83 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   93 + HB3   LEU   93  OK    99    99 100 100  2.2-3.5   765=98, 3281/1.8=68, 767/3.1=57, 422/1178=49...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 3283 from c13no.peaks (7.78, 1.37, 41.68 ppm; 4.30 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLY   94 + HB3   LEU   93  OK    99    99 100 100  2.5-3.3   1178=97, 1176/1.8=91, 422/765=66, 1179/3.1=53...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3284 from c13no.peaks (6.94, 2.00, 27.63 ppm; 5.46 A increased from 4.60 A):
    2 out of 2 assignments used, quality = 0.85:
      QD    PHE   92 + HG    LEU   93  OK    81    83  98 100  2.5-5.5   3289/2.1=96, 3296/2.1=86, ~164=80, ~3290=70...(13)
      H     LEU   96 + HG    LEU   93  OK    24   100  25  96  5.4-7.0   1188/3265=71, 432/5.4=56, 1864/389=39, 461/6.9=29
    Violated in 0 structures by 0.00 A.
 
    Peak 3285 from c13no.peaks (8.14, 2.00, 27.63 ppm; 4.65 A increased from 3.72 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   93 + HG    LEU   93  OK    99    99 100 100  2.5-4.6   767/2.1=91, 3300/2.1=82, 765/3.0=81, 3.0/389=80...(18)
      H     LEU   62 - HG    LEU   93  far    0    78   0   -  9.5-12.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3286 from c13no.peaks (7.80, 1.99, 27.63 ppm; 4.99 A increased from 4.70 A):
    1 out of 2 assignments used, quality = 0.73:
      H     GLY   94 + HG    LEU   93  OK    73    73 100 100  4.3-4.8   5.4=77, 3.6/389=76, 1176/3.0=70, 1178/3.0=66...(16)
      H     VAL   77 - QG    PRO   75  far    0    90   0   -  5.5-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3287 from c13no.peaks (4.10, 0.93, 26.01 ppm; 4.15 A):
    0 out of 3 assignments used, quality = 0.00:
      HA    ALA  102 + QD1   LEU   93  far    0    57   0   -  7.2-8.1
      HA    GLU  114 + QD1   LEU   93  far    0    92   0   -  7.4-8.3
      HA    GLU   85 + QD1   LEU   93  far    0    60   0   -  7.9-8.9
    Violated in 20 structures by 2.55 A.
 
    Peak 3288 from c13no.peaks (4.09, 0.80, 23.98 ppm; 4.50 A):
    0 out of 5 assignments used, quality = 0.00:
      HA    LEU   96 + QD2   LEU   93  far    0    83   0   -  5.5-6.1
      HA    GLU  114 + QD2   LEU   93  far    0   100   0   -  7.0-7.6
      HA    TYR   52 + QD2   LEU   93  far    0    92   0   -  8.2-8.7
      HA    GLU   85 + QD2   LEU   93  far    0    95   0   -  8.5-9.5
      HD2   PRO   58 + QD2   LEU   93  far    0   100   0   -  8.8-9.4
    Violated in 20 structures by 0.98 A.
 
    Peak 3289 from c13no.peaks (6.93, 0.80, 23.98 ppm; 3.94 A):
    1 out of 3 assignments used, quality = 0.95:
      QD    PHE   92 + QD2   LEU   93  OK    95    96 100  99  2.2-3.0   2.2/3290=58, 148/3318=56, 3296/2.1=49, 440/3294=43...(12)
      H     LEU   96 - QD2   LEU   93  far    0   100   0   -  4.7-5.5
      HE22  GLN   59 - QD2   LEU   93  far    0    90   0   -  8.2-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3290 from c13no.peaks (7.05, 0.80, 23.98 ppm; 4.42 A):
    1 out of 3 assignments used, quality = 1.00:
      QE    PHE   92 + QD2   LEU   93  OK   100   100 100 100  2.9-3.6   2.2/3289=82, 165/3318=72, 164=60, 112/3.9=47...(10)
      QD    PHE   50 - QD2   LEU   93  far    0    65   0   -  8.3-8.9
      HD2   HIS   51 - QD2   LEU   93  far    0    93   0   -  9.8-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3291 from c13no.peaks (7.64, 0.80, 23.98 ppm; 5.25 A):
    1 out of 4 assignments used, quality = 0.91:
      HE21  GLN  101 + QD2   LEU   93  OK    91    92 100  99  1.9-4.4   3.4/3269=75, 1201/3318=68, 1199/3.1=66, 455/3.9=27...(7)
      H     ALA   95 - QD2   LEU   93  poor  20    78  25   -  5.0-5.7
      H     LEU  122 - QD2   LEU   93  far    0    98   0   -  8.6-9.1
      HE21  GLN   59 - QD2   LEU   93  far    0    87   0   -  8.9-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3292 from c13no.peaks (7.78, 0.80, 23.98 ppm; 4.72 A):
    1 out of 4 assignments used, quality = 0.99:
      H     GLY   94 + QD2   LEU   93  OK    99    99 100 100  4.4-4.7   1180=96, 1176/3.1=81, 3.6/881=81, 1178/3.1=76...(16)
      H     ALA  117 - QD2   LEU   93  far    0    81   0   -  6.4-6.7
      H     ARG  123 - QD2   LEU   93  far    0    76   0   -  9.6-10.3
      H     ALA   61 - QD2   LEU   93  far    0    99   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3293 from c13no.peaks (7.96, 0.80, 23.98 ppm; 4.70 A):
    1 out of 3 assignments used, quality = 0.88:
      H     ALA  115 + QD2   LEU   93  OK    88    97  93  98  4.2-4.8   2.9/3278=78, 3299/2.1=56, 3698/3266=50, 2.9/3253=40...(7)
      H     VAL  104 - QD2   LEU   93  far    5    99   5   -  4.8-5.3
      H     GLY  121 - QD2   LEU   93  far    0    99   0   -  8.7-9.2
    Violated in 3 structures by 0.03 A.
 
    Peak 3294 from c13no.peaks (8.13, 0.80, 23.98 ppm; 4.03 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   93 + QD2   LEU   93  OK   100   100 100 100  2.6-3.7   767=85, 3.0/881=74, 3300/2.1=68, 765/3.1=65...(19)
      H     LEU   62 - QD2   LEU   93  far    0    93   0   -  8.1-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3295 from c13no.peaks (8.57, 0.80, 23.98 ppm; 5.41 A increased from 4.81 A):
    1 out of 1 assignment used, quality = 0.84:
      H     GLN  105 + QD2   LEU   93  OK    84    98  90  95  4.7-5.5   3359/3318=67, 3301/2.1=61, 6.6/1231=39, 6.6/1342=35
    Violated in 4 structures by 0.02 A.
 
    Peak 3296 from c13no.peaks (6.93, 0.93, 26.01 ppm; 4.86 A):
    1 out of 3 assignments used, quality = 0.96:
      QD    PHE   92 + QD1   LEU   93  OK    96    96 100 100  4.1-4.8   3289/2.1=93, ~164=69, 440/3300=61, ~3290=58...(12)
      H     LEU   96 - QD1   LEU   93  far    0   100   0   -  6.3-6.8
      HE22  GLN   59 - QD1   LEU   93  far    0    90   0   -  9.8-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3297 from c13no.peaks (7.25, 0.93, 26.01 ppm; 5.24 A):
    1 out of 1 assignment used, quality = 0.99:
      HE21  GLN  105 + QD1   LEU   93  OK    99    99 100 100  4.1-5.0   1224=88, 1.7/1230=81, 1342/2.1=81, ~1231=63
    Violated in 0 structures by 0.00 A.
 
    Peak 3298 from c13no.peaks (7.78, 0.93, 26.01 ppm; 4.91 A increased from 4.62 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLY   94 + QD1   LEU   93  OK    99    99 100 100  4.4-4.7   5.0=95, 1176/3271=86, 3292/2.1=80, 1178/3.1=80...(15)
      H     ALA  117 - QD1   LEU   93  far    0    81   0   -  7.6-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3299 from c13no.peaks (7.95, 0.93, 26.01 ppm; 5.50 A increased from 5.03 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA  115 + QD1   LEU   93  OK   100   100 100 100  4.5-5.4   3293/2.1=89, ~3278=67, 3698/3270=51, 2.9/3252=42...(8)
      H     VAL  104 - QD1   LEU   93  far    0    90   0   -  6.1-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3300 from c13no.peaks (8.13, 0.93, 26.01 ppm; 4.17 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   93 + QD1   LEU   93  OK   100   100 100 100  3.7-4.2   766=89, 767/2.1=82, 765/3.1=68, 3.0/877=66...(18)
      H     LEU   62 - QD1   LEU   93  far    0    93   0   -  9.9-11.2
    Violated in 1 structures by 0.00 A.
 
    Peak 3301 from c13no.peaks (8.55, 0.93, 26.01 ppm; 5.50 A increased from 5.09 A):
    1 out of 1 assignment used, quality = 0.57:
      H     GLN  105 + QD1   LEU   93  OK    57    71  93  87  5.1-5.6   3295/2.1=64, 6.6/3297=40, 6.6/1230=38
    Violated in 12 structures by 0.04 A.
 
    Peak 3302 from c13no.peaks (6.72, 3.76, 46.54 ppm; 5.07 A increased from 4.51 A):
    1 out of 2 assignments used, quality = 0.97:
      HE22  GLN  101 + HA3   GLY   94  OK    97    99 100  98  3.6-5.0   456/1.8=66, 433/3.0=59, ~3307=32, ~455=32...(9)
      HE22  GLN  105 - HA3   GLY   94  far    0    71   0   -  7.0-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3303 from c13no.peaks (7.63, 3.76, 46.54 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 0.93:
      H     ALA   95 + HA3   GLY   94  OK    93    93 100 100  2.9-3.1   3.6=100
      HE21  GLN  101 - HA3   GLY   94  far    0    99   0   -  4.1-5.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3304 from c13no.peaks (7.78, 3.76, 46.54 ppm; 3.55 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLY   94 + HA3   GLY   94  OK    99    99 100 100  2.3-2.3   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3305 from c13no.peaks (8.14, 3.76, 46.54 ppm; 4.95 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   93 + HA3   GLY   94  OK    99    99 100 100  4.8-5.0   422/3.0=91, 439/450=68, 5.9=59, 1726/4.4=53...(14)
    Violated in 3 structures by 0.00 A.
 
    Peak 3306 from c13no.peaks (6.72, 3.79, 46.54 ppm; 4.61 A):
    1 out of 2 assignments used, quality = 0.96:
      HE22  GLN  101 + HA2   GLY   94  OK    96    99 100  97  1.9-3.5   456=60, 433/3.0=50, 1.7/3307=38, 1206/3340=36...(8)
      HE22  GLN  105 - HA2   GLY   94  far    0    71   0   -  5.5-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3307 from c13no.peaks (7.63, 3.79, 46.54 ppm; 3.81 A):
    2 out of 2 assignments used, quality = 0.97:
      H     ALA   95 + HA2   GLY   94  OK    93    93 100 100  3.4-3.5   3.6=100
      HE21  GLN  101 + HA2   GLY   94  OK    62    99  65  96  2.4-4.4   1.7/3306=53, ~3302=34, 1198/3340=30, ~433=28...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3308 from c13no.peaks (7.79, 3.79, 46.54 ppm; 3.65 A):
    1 out of 1 assignment used, quality = 0.93:
      H     GLY   94 + HA2   GLY   94  OK    93    93 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3309 from c13no.peaks (8.14, 3.79, 46.54 ppm; 5.50 A increased from 4.90 A):
    1 out of 1 assignment used, quality = 0.99:
      H     LEU   93 + HA2   GLY   94  OK    99    99 100 100  5.2-5.3   422/3.0=98, 5.9=81, 439/3.6=79, 1726/4.4=64...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3310 from c13no.peaks (1.87, 1.61, 20.52 ppm; 4.41 A increased from 3.71 A):
    2 out of 4 assignments used, quality = 0.88:
      HG    LEU   96 + QB    ALA   95  OK    84    99  85 100  4.0-5.8   1185/3.6=71, 2.1/3311=64, 3361/2.9=53, 793/1727=40...(11)
      HG2   GLN   91 + QB    ALA   95  OK    25    63  40  98  3.4-4.8   3.5/1720=63, 3.5/1719=61, 4.9/1728=35, 3214/1711=28...(9)
      QB    ALA   61 - QB    ALA   95  far    5    65   8   -  4.5-5.0
      QB    ARG   66 - QB    ALA   95  far    0   100   0   -  9.4-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3311 from c13no.peaks (-0.07, 1.61, 20.52 ppm; 4.84 A increased from 4.31 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + QB    ALA   95  OK   100   100 100 100  3.6-4.6   3347/3.6=69, 931/4.6=66, 1749/1713=66, 2.1/3310=65...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 3312 from c13no.peaks (-0.07, 4.07, 53.19 ppm; 3.81 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   96 + HA    LEU   96  OK    99    99 100 100  1.9-2.0   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3313 from c13no.peaks (0.55, 1.87, 25.04 ppm; 3.91 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   96 + HG    LEU   96  OK    99    99 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3314 from c13no.peaks (-0.07, 0.54, 26.34 ppm; 3.16 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   96 + QD1   LEU   96  OK    99    99 100 100  2.0-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3316 from c13no.peaks (2.05, 0.92, 41.54 ppm; 4.57 A):
    2 out of 5 assignments used, quality = 1.00:
      HG3   GLN  101 + HB3   LEU   96  OK   100   100 100 100  2.1-3.2   1.8/3599=95, 4090/1.8=82, ~4096=69, 3323/3.2=69...(30)
      HB2   GLN  101 + HB3   LEU   96  OK    98    98 100 100  3.2-4.1   2.9/3599=83, 3.0/3335=54, ~4096=54, ~3509=51...(26)
      HB3   PRO   97 - HB3   LEU   96  far    0    95   0   -  5.3-5.8
      QB    GLU   99 - HB3   LEU   96  far    0   100   0   -  6.6-7.4
      HB3   PRO   58 - HB3   LEU   96  far    0    65   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3317 from c13no.peaks (0.91, 0.54, 26.34 ppm; 2.85 A):
    2 out of 6 assignments used, quality = 1.00:
      HB3   LEU   96 + QD1   LEU   96  OK    95   100 100  95  2.3-2.5   3.2=73, 1743/2.1=26, 3.8/1188=23, ~931=17...(14)
      QG2   ILE  100 + QD1   LEU   96  OK    90    90 100 100  1.8-2.1   1609=84, 3465/2.1=46, 2.1/3463=26, 1610/3951=22...(24)
      QD1   LEU  118 - QD1   LEU   96  far    0    90   0   -  3.6-4.0
      QD1   LEU   93 - QD1   LEU   96  far    0    85   0   -  3.9-4.3
      QD2   LEU  118 - QD1   LEU   96  far    0   100   0   -  5.6-5.8
      QG1   VAL   88 - QD1   LEU   96  far    0    98   0   -  6.9-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3318 from c13no.peaks (0.79, 0.54, 26.34 ppm; 3.05 A):
    1 out of 3 assignments used, quality = 0.93:
      QD2   LEU   93 + QD1   LEU   96  OK    93   100 100  93  1.7-2.1   881/3332=39, 2.1/3265=29, 3289/148=26, 3290/165=24...(11)
      QD1   LEU   89 - QD1   LEU   96  far    0    76   0   -  6.3-7.7
      QD1   LEU   45 - QD1   LEU  396  far    0    65   0   -  9.8-01.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3319 from c13no.peaks (1.09, 0.54, 26.34 ppm; 3.34 A):
    1 out of 2 assignments used, quality = 1.00:
      QG1   VAL  119 + QD1   LEU   96  OK   100   100 100 100  1.8-2.2   3951=99, 3949/2.1=67, 2.1/1754=53, 3952/2.1=48...(14)
      QG2   VAL   88 - QD1   LEU   96  far    0    78   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3320 from c13no.peaks (1.40, 0.54, 26.34 ppm; 4.10 A):
    1 out of 3 assignments used, quality = 0.97:
      QB    ALA  115 + QD1   LEU   96  OK    97    98 100  99  2.9-3.5   1679=79, 1681/3591=58, 1687/148=54, 1688/165=54...(7)
      HB3   LEU   93 - QD1   LEU   96  poor  15    65  23   -  3.5-4.8
      HG    LEU   62 - QD1   LEU   96  far    0   100   0   -  7.2-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3321 from c13no.peaks (1.55, 0.54, 26.34 ppm; 3.53 A):
    1 out of 5 assignments used, quality = 1.00:
      HB2   LEU   96 + QD1   LEU   96  OK   100   100 100 100  2.1-2.4   3.2=100
      HG12  ILE  100 - QD1   LEU   96  far    0    63   0   -  4.2-4.7
      HB3   LEU  122 - QD1   LEU   96  far    0    83   0   -  7.3-8.3
      QB    ALA  117 - QD1   LEU   96  far    0    65   0   -  7.3-7.5
      QG    ARG  108 - QD1   LEU   96  far    0    81   0   -  8.1-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3322 from c13no.peaks (1.88, 0.54, 26.34 ppm; 3.32 A):
    1 out of 4 assignments used, quality = 1.00:
      HG    LEU   96 + QD1   LEU   96  OK   100   100 100 100  2.1-2.1   2.1=100
      QB    ALA   61 - QD1   LEU   96  far    0    92   0   -  6.1-6.6
      HB3   PRO  109 - QD1   LEU   96  far    0    99   0   -  7.0-7.5
      HB2   LEU  122 - QD1   LEU   96  far    0    57   0   -  7.2-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3323 from c13no.peaks (2.05, 0.54, 26.34 ppm; 4.18 A increased from 3.72 A):
    1 out of 5 assignments used, quality = 0.97:
      HG3   GLN  101 + QD1   LEU   96  OK    97   100  98 100  3.4-4.2   4092=77, 1.8/3324=77, 4093/3.2=60, 4089/3331=59...(33)
      HB2   GLN  101 - QD1   LEU   96  far    5    98   5   -  4.2-4.9
      HB3   PRO   58 - QD1   LEU   96  far    0    65   0   -  5.1-5.6
      HB3   PRO   97 - QD1   LEU   96  far    0    95   0   -  6.6-6.8
      QB    GLU   99 - QD1   LEU   96  far    0   100   0   -  6.8-7.5
    Violated in 1 structures by 0.00 A.
 
    Peak 3324 from c13no.peaks (2.37, 0.54, 26.34 ppm; 4.17 A):
    1 out of 4 assignments used, quality = 0.97:
      HG2   GLN  101 + QD1   LEU   96  OK    97    99  98 100  2.6-3.0   3503=92, 1.8/3323=76, 4096/3.2=64, 3596/3591=63...(29)
      QG    GLU   99 - QD1   LEU   96  far    0    57   0   -  5.6-6.9
      HB2   PRO   58 - QD1   LEU   96  far    0    71   0   -  6.0-6.4
      HG2   GLU  114 - QD1   LEU   96  far    0    78   0   -  9.8-10.2
    Violated in 1 structures by 0.01 A.
 
    Peak 3325 from c13no.peaks (3.23, 0.54, 26.34 ppm; 4.78 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   PRO   97 + QD1   LEU   96  OK   100   100 100 100  3.5-3.7   3376=92, 3327/2.1=91, 1614/1609=80, ~1751=71...(20)
      QD    ARG  103 - QD1   LEU   96  far    0    97   0   -  6.8-7.7
      QD    ARG  124 - QD1   LEU   96  far    0    96   0   -  9.2-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3326 from c13no.peaks (1.55, -0.07, 21.49 ppm; 3.81 A):
    2 out of 5 assignments used, quality = 1.00:
      HB2   LEU   96 + QD2   LEU   96  OK   100   100 100 100  2.4-3.2   3.2=100
      HG12  ILE  100 + QD2   LEU   96  OK    53    63  85 100  2.9-4.4   2.1/3472=78, 3.2/3465=65, 2.9/3464=45, 1.8/3471=36...(21)
      QB    ALA  117 - QD2   LEU   96  far    0    65   0   -  7.8-8.1
      HB3   LEU  122 - QD2   LEU   96  far    0    83   0   -  7.9-9.3
      QB    ALA   63 - QD2   LEU   96  far    0   100   0   -  8.6-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3327 from c13no.peaks (3.23, -0.07, 21.49 ppm; 3.99 A):
    1 out of 4 assignments used, quality = 1.00:
      HD3   PRO   97 + QD2   LEU   96  OK   100   100 100 100  1.8-3.1   3414=89, 1.8/1751=82, 2.3/1748=59, 3.8/931=58...(23)
      QD    ARG  103 - QD2   LEU   96  far    0    97   0   -  8.0-9.1
      QD    ARG  124 - QD2   LEU   96  far    0    96   0   -  8.6-12.4
      HB2   PHE   50 - QD2   LEU   96  far    0    68   0   -  8.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3328 from c13no.peaks (1.56, 1.87, 25.04 ppm; 4.39 A):
    1 out of 3 assignments used, quality = 0.95:
      HB2   LEU   96 + HG    LEU   96  OK    95    95 100 100  2.5-3.0   3.0=100
      HG12  ILE  100 - HG    LEU   96  far   12    83  15   -  3.2-6.1
      HB3   LEU  122 - HG    LEU   96  far    0    96   0   -  9.3-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3329 from c13no.peaks (0.92, 1.87, 25.04 ppm; 4.30 A):
    2 out of 6 assignments used, quality = 1.00:
      HB3   LEU   96 + HG    LEU   96  OK   100   100 100 100  2.4-3.0   3.0=100
      QG2   ILE  100 + HG    LEU   96  OK    73    73 100 100  2.1-4.1   1609/2.1=71, 3465/2.1=68, ~3463=46, ~3464=44...(15)
      QD1   LEU   93 - HG    LEU   96  far    0    97   0   -  5.9-7.1
      QD1   LEU  118 - HG    LEU   96  far    0    99   0   -  6.1-6.8
      QG1   VAL   88 - HG    LEU   96  far    0    89   0   -  7.8-10.1
      QD2   LEU  118 - HG    LEU   96  far    0    98   0   -  8.3-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3330 from c13no.peaks (3.76, 1.87, 25.04 ppm; 4.26 A):
    1 out of 4 assignments used, quality = 0.83:
      HA    LEU   93 + HG    LEU   96  OK    83    98  85  99  2.7-4.9   3332/2.1=88, 3260/2.1=60, ~768=36, ~3258=34...(8)
      HA2   GLY   94 - HG    LEU   96  far    0    65   0   -  5.7-7.7
      HA3   GLY   94 - HG    LEU   96  far    0   100   0   -  6.4-8.6
      HA    LEU   62 - HG    LEU   96  far    0    83   0   -  9.2-11.4
    Violated in 3 structures by 0.08 A.
 
    Peak 3331 from c13no.peaks (3.56, 0.54, 26.34 ppm; 3.66 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLN  101 + QD1   LEU   96  OK   100   100 100 100  2.4-3.0   3500=90, 3509/3.2=49, 2.9/1140=44, 434/3324=41...(28)
    Violated in 0 structures by 0.00 A.
 
    Peak 3332 from c13no.peaks (3.75, 0.54, 26.34 ppm; 3.38 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    LEU   93 + QD1   LEU   96  OK   100   100 100 100  1.9-2.5   3261=76, 881/3318=53, 3330/2.1=44, 3260/2.1=35...(14)
      HA3   GLY   94 - QD1   LEU   96  far    0   100   0   -  6.0-6.8
      HA    LEU   62 - QD1   LEU   96  far    0    65   0   -  8.0-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3333 from c13no.peaks (2.37, 0.92, 41.54 ppm; 5.15 A):
    1 out of 3 assignments used, quality = 0.99:
      HG2   GLN  101 + HB3   LEU   96  OK    99    99 100 100  2.0-2.6   4096/1.8=98, 3503/3.2=83, ~4090=73, 1183/3.8=65...(27)
      QG    GLU   99 - HB3   LEU   96  far    0    57   0   -  5.5-7.0
      HB2   PRO   58 - HB3   LEU   96  far    0    71   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3334 from c13no.peaks (3.23, 0.92, 41.54 ppm; 5.18 A):
    1 out of 2 assignments used, quality = 1.00:
      HD3   PRO   97 + HB3   LEU   96  OK   100   100 100 100  2.0-2.8   4.8=100
      QD    ARG  103 - HB3   LEU   96  far    0    97   0   -  9.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3335 from c13no.peaks (3.57, 0.92, 41.54 ppm; 5.15 A):
    1 out of 2 assignments used, quality = 0.98:
      HA    GLN  101 + HB3   LEU   96  OK    98    98 100 100  3.0-3.5   3509/1.8=97, 3331/3.2=86, 3.9/3599=80, 3502/3.2=64...(20)
      HD3   PRO  109 - HB3   LEU   96  far    0    60   0   -  9.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3336 from c13no.peaks (3.79, 0.92, 41.54 ppm; 4.91 A):
    1 out of 3 assignments used, quality = 0.68:
      HD2   PRO   97 + HB3   LEU   96  OK    68    68 100 100  3.5-4.1   4.8=100
      HA2   GLY   94 - HB3   LEU   96  far    0   100   0   -  5.7-6.3
      HA    VAL  104 - HB3   LEU   96  far    0   100   0   -  7.8-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3337 from c13no.peaks (2.37, 1.54, 41.54 ppm; 4.62 A):
    1 out of 3 assignments used, quality = 0.99:
      HG2   GLN  101 + HB2   LEU   96  OK    99    99 100 100  1.9-2.2   1.8/4090=72, 3503/3.2=72, 4096=70, 434/3509=68...(26)
      QG    GLU   99 - HB2   LEU   96  far    0    57   0   -  7.0-8.5
      HB2   PRO   58 - HB2   LEU   96  far    0    71   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3338 from c13no.peaks (3.23, 1.54, 41.54 ppm; 5.02 A):
    1 out of 1 assignment used, quality = 0.97:
      HD3   PRO   97 + HB2   LEU   96  OK    97    97 100 100  3.6-3.9   4.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3339 from c13no.peaks (3.57, 1.54, 41.54 ppm; 4.80 A):
    1 out of 2 assignments used, quality = 0.98:
      HA    GLN  101 + HB2   LEU   96  OK    98    98 100 100  3.5-3.8   3509=97, 3331/3.2=80, 3335/1.8=71, 434/3337=61...(22)
      HD3   PRO  109 - HB2   LEU   96  far    0    60   0   -  9.2-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3340 from c13no.peaks (3.78, 1.54, 41.54 ppm; 4.70 A):
    1 out of 4 assignments used, quality = 0.84:
      HA2   GLY   94 + HB2   LEU   96  OK    84   100  95  89  4.3-4.8   461/3.8=44, 3306/1206=39, ~1181=31, 3.6/3364=26...(6)
      HA3   GLY   94 - HB2   LEU   96  far    0    65   0   -  5.5-5.8
      HA    VAL  104 - HB2   LEU   96  far    0    95   0   -  8.2-8.5
      HA    LEU   62 - HB2   LEU   96  far    0   100   0   -  9.4-12.0
    Violated in 2 structures by 0.02 A.
 
    Peak 3341 from c13no.peaks (3.80, 4.07, 53.19 ppm; 3.83 A):
    1 out of 4 assignments used, quality = 0.85:
      HD2   PRO   97 + HA    LEU   96  OK    85    85 100 100  2.3-2.3   3.8=100
      HA2   GLY   94 - HA    LEU   96  far    0    97   0   -  6.3-6.6
      HA    LEU   62 - HA    LEU   96  far    0    87   0   -  9.3-11.5
      HA    VAL  104 - HA    LEU   96  far    0   100   0   - 10.0-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3342 from c13no.peaks (3.23, 4.07, 53.19 ppm; 4.21 A):
    1 out of 1 assignment used, quality = 0.97:
      HD3   PRO   97 + HA    LEU   96  OK    97    97 100 100  2.3-2.5   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3343 from c13no.peaks (2.77, 4.07, 53.19 ppm; 4.90 A):
    1 out of 1 assignment used, quality = 0.84:
      QB    TYR   52 + HA    LEU   96  OK    84    87 100  97  2.3-2.9   2060/931=58, 3382/3.8=57, 2061/3.8=51, 2059/4.6=49
    Violated in 0 structures by 0.00 A.
 
    Peak 3344 from c13no.peaks (2.28, 4.07, 53.19 ppm; 4.76 A):
    1 out of 4 assignments used, quality = 1.00:
      HG2   PRO   97 + HA    LEU   96  OK   100   100 100 100  4.4-4.6   3408=100, 3411/931=60, ~3412=51, 3385/3.0=26...(6)
      QG    GLU   54 - HA    LEU   96  far    0    83   0   -  5.9-6.6
      HB    VAL  119 - HA    LEU   96  far    0    93   0   -  6.7-8.1
      HG2   PRO   58 - HA    LEU   96  far    0    76   0   -  9.6-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3345 from c13no.peaks (2.06, 4.07, 53.19 ppm; 4.60 A):
    1 out of 5 assignments used, quality = 0.97:
      HG3   GLN  101 + HA    LEU   96  OK    97    97 100 100  4.0-4.6   4093/3.0=71, 4090/3.0=66, ~3599=58, 4092/3.8=56...(18)
      HB3   PRO   97 - HA    LEU   96  far    0    63   0   -  4.8-4.9
      HB2   GLN  101 - HA    LEU   96  far    0    99   0   -  5.5-6.1
      HB3   PRO   58 - HA    LEU   96  far    0    96   0   -  7.6-8.0
      QB    GLU   99 - HA    LEU   96  far    0    89   0   -  7.7-8.5
    Violated in 1 structures by 0.00 A.
 
    Peak 3346 from c13no.peaks (6.54, -0.07, 21.49 ppm; 4.25 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   52 + QD2   LEU   96  OK   100   100 100 100  2.6-3.6   240=100, 2.2/252=89, 238/1753=66, 237/3472=64...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 3347 from c13no.peaks (6.93, -0.07, 21.49 ppm; 4.20 A increased from 3.53 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU   96 + QD2   LEU   96  OK   100   100 100 100  2.7-4.1   1189=92, 1185/2.1=89, 3.0/931=77, 1188/2.1=76...(17)
      QD    PHE   92 - QD2   LEU   96  poor  19    95  20   -  3.0-4.8
      HE22  GLN   59 - QD2   LEU   96  far    0    89   0   -  7.9-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3348 from c13no.peaks (6.85, -0.07, 21.49 ppm; 3.91 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3349 from c13no.peaks (7.04, -0.07, 21.49 ppm; 4.26 A):
    1 out of 3 assignments used, quality = 1.00:
      QE    PHE   92 + QD2   LEU   96  OK   100   100 100 100  2.8-4.0   167=100, 165/2.1=82, 163/3949=69, 2.2/183=68...(14)
      HD2   HIS   51 - QD2   LEU   96  far    0    98   0   -  5.8-6.5
      QD    PHE   50 - QD2   LEU   96  far    0    78   0   -  5.8-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3350 from c13no.peaks (7.63, -0.07, 21.49 ppm; 5.50 A increased from 4.89 A):
    2 out of 5 assignments used, quality = 0.96:
      H     ALA   95 + QD2   LEU   96  OK    95    95 100 100  4.2-5.4   1112=94, 3361/2.1=88, 452/3347=83, 1113/2.1=81...(14)
      HE21  GLN  101 + QD2   LEU   96  OK    32    99  33 100  5.0-5.7   1202=91, 1201/2.1=90, 1198/3.2=85, 1194/3505=69...(27)
      H     GLY   57 - QD2   LEU   96  far    0    97   0   -  7.4-7.9
      H     LEU  122 - QD2   LEU   96  far    0    87   0   -  7.5-8.6
      HE21  GLN   59 - QD2   LEU   96  far    0    98   0   -  8.0-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3351 from c13no.peaks (7.91, -0.07, 21.49 ppm; 5.50 A increased from 5.26 A):
    1 out of 2 assignments used, quality = 0.50:
      H     VAL  119 + QD2   LEU   96  OK    50    99  50 100  5.4-5.9   3969/3949=98, 1315=98, 4.0/1753=86, 1314/2.1=81...(8)
      H     GLN   91 - QD2   LEU   96  far    0    99   0   -  7.4-9.3
    Violated in 19 structures by 0.13 A.
 
    Peak 3352 from c13no.peaks (8.49, -0.07, 21.49 ppm; 5.24 A):
    1 out of 4 assignments used, quality = 0.99:
      H     GLN  101 + QD2   LEU   96  OK    99    99 100 100  4.0-5.0   1140/2.1=92, 1141=91, 1137/3.2=82, 4.3/3465=80...(21)
      H     ALA  116 - QD2   LEU   96  far    0    92   0   -  6.0-7.0
      H     GLN   59 - QD2   LEU   96  far    0   100   0   -  7.4-7.8
      H     LEU   89 - QD2   LEU   96  far    0    89   0   -  8.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3353 from c13no.peaks (6.92, 0.54, 26.34 ppm; 3.93 A increased from 3.70 A):
    2 out of 4 assignments used, quality = 1.00:
      H     LEU   96 + QD1   LEU   96  OK    96    96 100 100  3.8-4.0   1188=90, 1185/2.1=79, 3347/2.1=62, 1186/3.2=61...(16)
      QD    PHE   92 + QD1   LEU   96  OK    95   100  95 100  3.0-4.1   148=100, 2.2/165=72, 3289/3318=56, 153/2.1=50...(16)
      HE22  GLN  107 - QD1   LEU   96  far    0    76   0   -  6.4-7.4
      HE22  GLN   59 - QD1   LEU   96  far    0    98   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3354 from c13no.peaks (7.04, 0.54, 26.34 ppm; 4.37 A):
    1 out of 3 assignments used, quality = 0.97:
      QE    PHE   92 + QD1   LEU   96  OK    97    97 100 100  2.4-3.6   165=96, 2.2/148=82, 167/2.1=77, 163/3951=70...(15)
      QD    PHE   50 - QD1   LEU   96  far    0    93   0   -  7.6-8.2
      HD2   HIS   51 - QD1   LEU   96  far    0   100   0   -  7.9-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3355 from c13no.peaks (7.62, 0.54, 26.34 ppm; 4.77 A):
    2 out of 5 assignments used, quality = 1.00:
      HE21  GLN  101 + QD1   LEU   96  OK   100   100 100 100  3.2-3.9   1201=94, 1194/3324=72, 1198/3.2=71, 3.4/3323=70...(29)
      H     ALA   95 + QD1   LEU   96  OK    45   100  45 100  4.7-5.5   445/1188=75, 3361/2.1=68, 1113=65, 1112/2.1=59...(19)
      H     LEU  122 - QD1   LEU   96  far    0    68   0   -  7.3-7.9
      HE21  GLN   59 - QD1   LEU   96  far    0   100   0   -  8.3-9.1
      H     GLY   57 - QD1   LEU   96  far    0   100   0   -  9.3-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3356 from c13no.peaks (7.95, 0.54, 26.34 ppm; 4.92 A):
    1 out of 3 assignments used, quality = 0.87:
      H     VAL  104 + QD1   LEU   96  OK    87    87 100 100  3.9-4.6   2.9/3591=95, 725=83, 728/3589=73, 738/3331=58...(9)
      H     ALA  115 - QD1   LEU   96  far    0   100   0   -  6.1-6.5
      H     GLY  121 - QD1   LEU   96  far    0    87   0   -  7.7-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3357 from c13no.peaks (8.12, 0.54, 26.34 ppm; 5.02 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   93 + QD1   LEU   96  OK    97    97 100 100  4.2-4.9   3.0/3332=93, 768=83, 767/3318=79, 440/148=70...(15)
      H     LEU   62 - QD1   LEU   96  far    0   100   0   -  7.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3358 from c13no.peaks (8.49, 0.54, 26.34 ppm; 4.72 A):
    1 out of 4 assignments used, quality = 0.99:
      H     GLN  101 + QD1   LEU   96  OK    99    99 100 100  3.1-4.0   1140=99, 2.9/3331=84, 4.3/1609=73, 1137/3.2=71...(23)
      H     ALA  116 - QD1   LEU   96  far    0    92   0   -  5.7-6.1
      H     GLN   59 - QD1   LEU   96  far    0   100   0   -  8.4-8.9
      H     LEU   89 - QD1   LEU   96  far    0    89   0   -  8.7-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3359 from c13no.peaks (8.57, 0.54, 26.34 ppm; 5.50 A increased from 5.01 A):
    1 out of 2 assignments used, quality = 0.69:
      H     GLN  105 + QD1   LEU   96  OK    69    98  70 100  5.1-5.6   1220=97, 3.6/3591=96, 637/725=75, 4.4/3589=75...(7)
      H     GLU   60 - QD1   LEU   96  far    0    97   0   -  9.8-10.3
    Violated in 12 structures by 0.05 A.
 
    Peak 3360 from c13no.peaks (6.92, 1.87, 25.04 ppm; 3.83 A):
    1 out of 3 assignments used, quality = 0.81:
      H     LEU   96 + HG    LEU   96  OK    81    96  85 100  3.0-4.3   1185=96, 1188/2.1=62, 1186/3.0=61, 3347/2.1=59...(9)
      QD    PHE   92 - HG    LEU   96  far    5   100   5   -  3.9-6.0
      HE22  GLN  107 - HG    LEU   96  far    0    76   0   -  9.2-11.3
    Violated in 3 structures by 0.07 A.
 
    Peak 3361 from c13no.peaks (7.63, 1.87, 25.04 ppm; 4.98 A):
    1 out of 4 assignments used, quality = 0.80:
      H     ALA   95 + HG    LEU   96  OK    80    95  85 100  4.0-6.7   452/1185=85, 1113/2.1=69, 1112/2.1=62, 2.9/3310=59...(8)
      HE21  GLN  101 - HG    LEU   96  far   12    99  13   -  5.0-6.0
      H     LEU  122 - HG    LEU   96  far    0    87   0   -  9.2-11.1
      H     GLY   57 - HG    LEU   96  far    0    97   0   -  9.8-10.7
    Violated in 3 structures by 0.25 A.
 
    Peak 3362 from c13no.peaks (6.93, 0.92, 41.54 ppm; 4.38 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   96 + HB3   LEU   96  OK   100   100 100 100  3.3-3.5   3.8=100
      QD    PHE   92 - HB3   LEU   96  far    0    95   0   -  6.3-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3363 from c13no.peaks (6.93, 1.54, 41.54 ppm; 4.22 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   96 + HB2   LEU   96  OK   100   100 100 100  2.1-2.3   3.8=100
      QD    PHE   92 - HB2   LEU   96  far    0    95   0   -  5.0-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3364 from c13no.peaks (7.62, 1.54, 41.54 ppm; 5.11 A):
    2 out of 2 assignments used, quality = 1.00:
      HE21  GLN  101 + HB2   LEU   96  OK   100   100 100 100  3.0-3.6   1198=93, 1.7/1206=73, 1194/3337=73, 1201/3.2=70...(22)
      H     ALA   95 + HB2   LEU   96  OK   100   100 100 100  4.1-4.5   445/3.8=85, 3.6/3340=68, 3361/3.0=68, 1113/3.2=65...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3365 from c13no.peaks (8.51, 1.54, 41.54 ppm; 5.33 A):
    1 out of 2 assignments used, quality = 0.98:
      H     GLN  101 + HB2   LEU   96  OK    98    98 100 100  4.0-4.3   2.9/3509=90, 1140/3.2=80, 1141/3.2=70, 4109/3337=70...(16)
      H     ALA  116 - HB2   LEU   96  far    0   100   0   -  9.1-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3366 from c13no.peaks (6.93, 4.07, 53.19 ppm; 4.37 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   96 + HA    LEU   96  OK   100   100 100 100  2.7-2.9   3.0=100
      QD    PHE   92 - HA    LEU   96  far    0    95   0   -  6.0-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3367 from c13no.peaks (8.52, 4.07, 53.19 ppm; 5.32 A):
    1 out of 1 assignment used, quality = 0.89:
      H     GLN  101 + HA    LEU   96  OK    89    89 100 100  4.8-5.2   1137/3.0=76, 1140/3.8=65, 4105/3345=60, 1141/3.8=57...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3368 from c13no.peaks (7.78, 4.07, 53.19 ppm; 5.50 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLY   94 + HA    LEU   96  far    0   100   0   -  6.6-6.9
      H     ALA   61 + HA    LEU   96  far    0    98   0   -  9.8-10.7
    Violated in 20 structures by 1.20 A.
 
    Peak 3369 from c13no.peaks (8.11, 4.07, 53.19 ppm; 5.50 A):
    0 out of 3 assignments used, quality = 0.00:
      H     LEU   93 + HA    LEU   96  far    0    71   0   -  6.8-7.3
      H     ALA  102 + HA    LEU   96  far    0    65   0   -  7.7-8.0
      H     LEU   62 + HA    LEU   96  far    0    97   0   -  9.1-11.1
    Violated in 20 structures by 1.11 A.
 
    Peak 3370 from c13no.peaks (4.77, 2.58, 31.19 ppm; 3.35 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   97 + HB2   PRO   97  OK   100   100 100 100  2.7-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3371 from c13no.peaks (2.58, 2.03, 31.19 ppm; 2.94 A):
    1 out of 1 assignment used, quality = 1.00:
      HB2   PRO   97 + HB3   PRO   97  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3373 from c13no.peaks (3.23, 2.03, 31.19 ppm; 4.06 A):
    1 out of 2 assignments used, quality = 1.00:
      HD3   PRO   97 + HB3   PRO   97  OK   100   100 100 100  3.9-3.9   3.0=100
      QD    ARG  124 - HB3   PRO   97  far    0    97   0   -  9.4-16.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3374 from c13no.peaks (0.90, 3.24, 50.60 ppm; 3.61 A):
    2 out of 5 assignments used, quality = 1.00:
      QG2   ILE  100 + HD3   PRO   97  OK   100   100 100 100  3.0-3.3   1614=78, 2.1/3378=53, 3465/3327=46, 3.0/2728=44...(25)
      HB3   LEU   96 + HD3   PRO   97  OK    90    90 100 100  2.0-2.8   3412/1.8=69, 3.2/3327=47, 4.8=43, 3.2/3325=35...(16)
      QD1   ILE  100 - HD3   PRO   97  far    0    73   0   -  3.8-4.1
      QD1   LEU  118 - HD3   PRO   97  far    0    63   0   -  7.3-7.8
      QD2   LEU  118 - HD3   PRO   97  far    0    97   0   -  9.8-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3375 from c13no.peaks (1.58, 3.82, 50.60 ppm; 4.35 A):
    1 out of 1 assignment used, quality = 1.00:
      HG12  ILE  100 + HD2   PRO   97  OK   100   100 100 100  3.4-3.6   3481=84, 3386/2.3=76, 2.9/3483=57, ~2728=53...(24)
    Violated in 0 structures by 0.00 A.
 
    Peak 3376 from c13no.peaks (0.54, 3.24, 50.60 ppm; 4.92 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HD3   PRO   97  OK   100   100 100 100  3.5-3.7   3325=100, 2.1/3327=93, 1609/1614=84, ~1751=74...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 3377 from c13no.peaks (1.57, 3.24, 50.60 ppm; 4.34 A):
    2 out of 3 assignments used, quality = 1.00:
      HG12  ILE  100 + HD3   PRO   97  OK    99    99 100 100  2.5-2.9   3386/2.3=78, 3375/1.8=75, 2.1/2728=75, 3.2/1614=67...(22)
      HB2   LEU   96 + HD3   PRO   97  OK    65    65 100 100  3.6-3.9   4.8=75, 3.2/3327=66, ~3412=66, 3.2/3325=53...(16)
      HB3   LEU  122 - HD3   PRO   97  far    0   100   0   -  9.9-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3378 from c13no.peaks (1.82, 3.24, 50.60 ppm; 4.23 A):
    1 out of 4 assignments used, quality = 1.00:
      HB    ILE  100 + HD3   PRO   97  OK   100   100 100 100  2.0-2.2   3459=92, 2.1/1614=79, 3483/1.8=67, 235/240=64...(23)
      HG2   ARG  123 - HD3   PRO   97  far    0   100   0   -  6.8-10.4
      HG2   ARG  103 - HD3   PRO   97  far    0    90   0   -  8.6-8.9
      HB3   GLU   53 - HD3   PRO   97  far    0    68   0   -  9.3-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3379 from c13no.peaks (2.08, 3.24, 50.60 ppm; 3.81 A):
    1 out of 5 assignments used, quality = 0.92:
      HG3   PRO   97 + HD3   PRO   97  OK    92    92 100 100  2.3-2.7   2.3=100
      HB2   GLN  101 - HD3   PRO   97  far    0    63   0   -  4.9-5.3
      HB3   PRO   58 - HD3   PRO   97  far    0    97   0   -  7.6-8.0
      HG3   PRO   98 - HD3   PRO   97  far    0    89   0   -  8.0-8.1
      QB    GLN  105 - HD3   PRO   97  far    0    97   0   -  9.2-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3380 from c13no.peaks (2.28, 3.24, 50.60 ppm; 3.96 A):
    1 out of 5 assignments used, quality = 1.00:
      HG2   PRO   97 + HD3   PRO   97  OK   100   100 100 100  2.3-2.7   2.3=100
      QG    GLU   54 - HD3   PRO   97  far    0    87   0   -  4.7-5.7
      HB    VAL  119 - HD3   PRO   97  far    0    96   0   -  5.4-7.5
      HG2   PRO   58 - HD3   PRO   97  far    0    81   0   -  9.1-10.5
      QG    GLU  125 - HD3   PRO   97  far    0    78   0   - 10.0-15.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3381 from c13no.peaks (2.59, 3.24, 50.60 ppm; 4.99 A):
    1 out of 1 assignment used, quality = 0.99:
      HB2   PRO   97 + HD3   PRO   97  OK    99    99 100 100  4.0-4.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3382 from c13no.peaks (2.77, 3.24, 50.60 ppm; 5.00 A):
    1 out of 1 assignment used, quality = 0.89:
      QB    TYR   52 + HD3   PRO   97  OK    89    89 100 100  3.7-4.5   2.1/241=96, ~40=82, 2061/1.8=74, 3.9/228=65...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3383 from c13no.peaks (4.06, 3.24, 50.60 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    LEU   96 + HD3   PRO   97  OK    99    99 100 100  2.3-2.5   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3384 from c13no.peaks (4.77, 3.82, 50.60 ppm; 3.64 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   97 + HD2   PRO   97  OK   100   100 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3385 from c13no.peaks (0.90, 2.28, 28.28 ppm; 3.77 A increased from 3.55 A):
    3 out of 4 assignments used, quality = 0.99:
      QG2   ILE  100 + HG2   PRO   97  OK    85   100  85 100  3.6-4.6   1614/2.3=63, 3.2/3386=51, 3.0/2726=40, 1616/2.3=39...(24)
      HB3   LEU   96 + HG2   PRO   97  OK    72    90  80 100  3.7-5.3   3412/2.3=66, 3.0/3408=42, 3.2/3411=38, 3374/2.3=33...(16)
      QD1   ILE  100 + HG2   PRO   97  OK    66    73  90 100  3.6-3.9   2.1/3386=63, 2726=51, 2728/2.3=41, ~3375=34...(22)
      QD1   LEU  118 - HG2   PRO   97  far    0    63   0   -  8.1-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3386 from c13no.peaks (1.57, 2.28, 28.28 ppm; 4.00 A):
    1 out of 3 assignments used, quality = 0.99:
      HG12  ILE  100 + HG2   PRO   97  OK    99    99 100 100  2.0-2.5   3375/2.3=60, 2.1/2726=54, ~2728=40, ~3395=38...(23)
      HB2   LEU   96 - HG2   PRO   97  far    0    65   0   -  5.4-6.6
      HB3   LEU  122 - HG2   PRO   97  far    0   100   0   -  9.0-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3387 from c13no.peaks (2.09, 2.28, 28.28 ppm; 2.47 A):
    1 out of 5 assignments used, quality = 0.98:
      HG3   PRO   97 + HG2   PRO   97  OK    98    98 100 100  1.8-1.8   1.8=100
      HG3   PRO   98 - HG2   PRO   97  far    0    97   0   -  6.6-7.1
      HB3   PRO   58 - HG2   PRO   97  far    0    90   0   -  9.1-9.6
      QB    GLN  105 - HG2   PRO   97  far    0   100   0   -  9.2-11.0
      QG    PRO  126 - HG2   PRO   97  far    0    76   0   -  9.9-16.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3388 from c13no.peaks (2.58, 2.28, 28.28 ppm; 3.41 A):
    1 out of 1 assignment used, quality = 1.00:
      HB2   PRO   97 + HG2   PRO   97  OK   100   100 100 100  2.3-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3389 from c13no.peaks (3.23, 2.28, 28.28 ppm; 3.80 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   PRO   97 + HG2   PRO   97  OK   100   100 100 100  2.3-2.7   2.3=100
      QD    ARG  124 - HG2   PRO   97  far    0    97   0   -  7.7-14.3
      QD    ARG  103 - HG2   PRO   97  far    0    95   0   -  8.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3390 from c13no.peaks (2.28, 2.58, 31.19 ppm; 3.27 A):
    1 out of 4 assignments used, quality = 1.00:
      HG2   PRO   97 + HB2   PRO   97  OK   100   100 100 100  2.3-2.7   2.3=100
      QG    GLU   54 - HB2   PRO   97  far    0    87   0   -  6.2-7.1
      HB    VAL  119 - HB2   PRO   97  far    0    96   0   -  8.6-11.0
      QG    GLU  125 - HB2   PRO   97  far    0    78   0   -  9.3-16.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3391 from c13no.peaks (2.04, 2.58, 31.19 ppm; 2.72 A):
    1 out of 6 assignments used, quality = 1.00:
      HB3   PRO   97 + HB2   PRO   97  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    GLU   99 - HB2   PRO   97  far    0    98   0   -  3.1-4.1
      HG3   GLN  101 - HB2   PRO   97  far    0    90   0   -  5.3-6.1
      HB2   GLN  101 - HB2   PRO   97  far    0    83   0   -  5.4-5.6
      QB    GLU   54 - HB2   PRO   97  far    0    85   0   -  7.6-8.7
      HB2   GLU  125 - HB2   PRO   97  far    0    78   0   -  9.2-17.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3392 from c13no.peaks (2.09, 2.58, 31.19 ppm; 2.91 A):
    1 out of 3 assignments used, quality = 0.98:
      HG3   PRO   97 + HB2   PRO   97  OK    98    98 100 100  2.3-2.7   2.3=100
      HG3   PRO   98 - HB2   PRO   97  far    0    97   0   -  4.4-4.6
      QG    PRO  126 - HB2   PRO   97  far    0    76   0   -  9.4-17.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3393 from c13no.peaks (1.80, 2.58, 31.19 ppm; 4.35 A increased from 4.10 A):
    1 out of 2 assignments used, quality = 0.78:
      HB    ILE  100 + HB2   PRO   97  OK    78    87  90 100  4.1-4.6   2.9/3395=56, 3459/3.0=55, 3483/3.0=50, 3458=46...(25)
      HG2   ARG  123 - HB2   PRO   97  far    0    71   0   -  8.2-12.0
    Violated in 4 structures by 0.02 A.
 
    Peak 3394 from c13no.peaks (1.63, 2.58, 31.19 ppm; 4.40 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ALA   95 + HB2   PRO   97  far    0    93   0   -  7.9-8.5
    Violated in 20 structures by 3.95 A.
 
    Peak 3395 from c13no.peaks (1.16, 2.58, 31.19 ppm; 4.74 A):
    1 out of 1 assignment used, quality = 1.00:
      HG13  ILE  100 + HB2   PRO   97  OK   100   100 100 100  3.9-4.3   2.9/3393=72, ~3386=63, 3478/3.0=62, 2.1/2727=57...(23)
    Violated in 0 structures by 0.00 A.
 
    Peak 3396 from c13no.peaks (0.88, 2.58, 31.19 ppm; 4.17 A):
    0 out of 5 assignments used, quality = 0.00:
      QD1   ILE  100 + HB2   PRO   97  far    0   100   0   -  5.3-5.4
      QG2   ILE  100 + HB2   PRO   97  far    0    89   0   -  5.5-5.7
      QD2   LEU  122 + HB2   PRO   97  far    0    92   0   -  6.7-7.2
      QQG   VAL  104 + HB2   PRO   97  far    0    97   0   -  7.0-7.5
      QD1   LEU  122 + HB2   PRO   97  far    0    93   0   -  7.5-8.4
    Violated in 20 structures by 0.51 A.
 
    Peak 3397 from c13no.peaks (3.23, 2.58, 31.19 ppm; 4.56 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   PRO   97 + HB2   PRO   97  OK   100   100 100 100  4.0-4.0   3.0=100
      QD    ARG  124 - HB2   PRO   97  far    0    97   0   -  8.3-15.8
      QD    ARG  103 - HB2   PRO   97  far    0    95   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3398 from c13no.peaks (3.82, 2.58, 31.19 ppm; 3.58 A):
    1 out of 5 assignments used, quality = 0.82:
      HD3   PRO   98 + HB2   PRO   97  OK    82    90 100  91  3.3-3.4   3.8=82, 3399/1.8=33, 465/6.2=14, 8.4/3416=8
      HD2   PRO   97 - HB2   PRO   97  far    0   100   0   -  3.9-3.9
      QA    GLY  128 - HB2   PRO   97  far    0    85   0   -  6.3-22.5
      HD2   PRO  126 - HB2   PRO   97  far    0   100   0   -  9.3-18.8
      HA    GLU   54 - HB2   PRO   97  far    0    96   0   -  9.4-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3399 from c13no.peaks (3.82, 2.03, 31.19 ppm; 3.69 A):
    2 out of 4 assignments used, quality = 1.00:
      HD2   PRO   97 + HB3   PRO   97  OK   100   100 100 100  3.0-3.0   3.0=100
      HD3   PRO   98 + HB3   PRO   97  OK    89    90 100  98  3.6-3.7   3.8=90, 3398/1.8=76, 465/6.2=15
      QA    GLY  128 - HB3   PRO   97  far    0    85   0   -  7.7-23.0
      HA    GLU   54 - HB3   PRO   97  far    0    96   0   -  8.8-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3400 from c13no.peaks (4.77, 2.03, 31.19 ppm; 3.66 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   97 + HB3   PRO   97  OK   100   100 100 100  2.3-2.3   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3401 from c13no.peaks (2.58, 2.10, 28.28 ppm; 3.61 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   PRO   97 + HG3   PRO   97  OK   100   100 100 100  2.3-2.7   2.3=100
      HB2   PRO   97 - HG3   PRO   98  far    0    99   0   -  4.4-4.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3402 from c13no.peaks (3.24, 2.10, 28.28 ppm; 3.75 A):
    1 out of 5 assignments used, quality = 1.00:
      HD3   PRO   97 + HG3   PRO   97  OK   100   100 100 100  2.3-2.7   2.3=100
      HD3   PRO   97 - HG3   PRO   98  far    0    98   0   -  8.0-8.1
      QD    ARG  124 - HG3   PRO   97  far    0    89   0   -  8.3-14.2
      QD    ARG  103 - HG3   PRO   97  far    0    99   0   -  8.8-10.2
      QD    ARG  103 - HG2   PRO  109  far    0    98   0   -  9.1-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3403 from c13no.peaks (4.77, 2.10, 28.28 ppm; 4.23 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    PRO   97 + HG3   PRO   97  OK   100   100 100 100  3.9-4.0   3.8=100
      HA    PRO   97 - HG3   PRO   98  far    0    98   0   -  4.6-4.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3404 from c13no.peaks (3.82, 2.10, 28.28 ppm; 3.32 A):
    2 out of 13 assignments used, quality = 1.00:
      HD2   PRO   97 + HG3   PRO   97  OK   100   100 100 100  2.3-3.0   2.3=100
      HD3   PRO   98 + HG3   PRO   98  OK    87    87 100 100  2.3-2.3   2.3=100
      HA3   GLY  110 - HG2   PRO  109  far    0    99   0   -  4.7-6.3
      HA    VAL  104 - HG2   PRO  109  far    0    76   0   -  4.8-6.7
      HD3   PRO   98 - HG3   PRO   97  far    0    90   0   -  5.3-5.7
      HD3   PRO  112 - HG2   PRO  109  far    0    93   0   -  6.6-8.0
      HA    GLU   54 - HG3   PRO   97  far    0    96   0   -  6.8-8.9
      QA    GLY  128 - HG3   PRO   98  far    0    81   0   -  6.9-26.0
      QA    GLY  128 - HG3   PRO   97  far    0    85   0   -  7.6-21.2
      HD2   PRO   97 - HG3   PRO   98  far    0    99   0   -  7.8-7.9
      HA    GLU  113 - HG2   PRO  109  far    0    79   0   -  7.9-8.5
      HA    VAL  104 - HG3   PRO   97  far    0    78   0   -  9.5-11.3
      HD2   PRO  126 - HG3   PRO   97  far    0   100   0   -  9.5-17.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3405 from c13no.peaks (0.90, 2.10, 28.28 ppm; 4.03 A increased from 3.22 A):
    3 out of 14 assignments used, quality = 0.97:
      QD2   LEU  118 + HG2   PRO  109  OK    74    95  78 100  2.6-4.2   3689/2.3=90, 3685/2.3=77, 3939/2.3=48, ~3940=42...(16)
      QD1   ILE  100 + HG3   PRO   97  OK    73    73 100 100  3.6-4.0   ~3386=49, 2728/2.3=47, 2726/1.8=44, ~3375=39...(22)
      QD1   LEU  118 + HG2   PRO  109  OK    59    61  98  99  2.3-4.1   ~3689=54, ~3685=46, 3940/2.3=42, ~3939=35...(15)
      QG2   ILE  100 - HG3   PRO   97  far   10   100  10   -  3.7-4.6
      HB3   LEU   96 - HG3   PRO   97  far    5    90   5   -  3.7-5.3
      QG2   ILE  100 - HG2   PRO  109  far    0    99   0   -  6.5-8.1
      QD1   LEU  118 - HG3   PRO   97  far    0    63   0   -  8.1-9.4
      QG1   VAL   88 - HG2   PRO  109  far    0    99   0   -  8.1-8.9
      HB3   LEU   96 - HG3   PRO   98  far    0    87   0   -  8.5-8.5
      QD1   ILE  100 - HG2   PRO  109  far    0    71   0   -  8.5-10.4
      QD1   ILE  100 - HG3   PRO   98  far    0    70   0   -  8.6-8.9
      QG2   ILE  100 - HG3   PRO   98  far    0    98   0   -  8.7-8.9
      HB3   LEU   96 - HG2   PRO  109  far    0    89   0   -  8.9-10.3
      QD2   LEU   86 - HG2   PRO  109  far    0    92   0   -  9.6-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3407 from c13no.peaks (3.81, 2.28, 28.28 ppm; 3.20 A):
    1 out of 7 assignments used, quality = 0.99:
      HD2   PRO   97 + HG2   PRO   97  OK    99    99 100 100  2.3-3.0   2.3=100
      HD3   PRO   98 - HG2   PRO   97  far    0    76   0   -  5.3-5.6
      QA    GLY  128 - HG2   PRO   97  far    0    68   0   -  6.9-21.2
      HA    GLU   54 - HG2   PRO   97  far    0    85   0   -  7.6-9.0
      HA2   GLY   94 - HG2   PRO   97  far    0    73   0   -  9.3-10.3
      HA    VAL  104 - HG2   PRO   97  far    0    92   0   -  9.3-11.3
      HD2   PRO  126 - HG2   PRO   97  far    0    97   0   -  9.5-17.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3408 from c13no.peaks (4.07, 2.28, 28.28 ppm; 4.66 A increased from 3.73 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    LEU   96 + HG2   PRO   97  OK    99   100 100  99  4.4-4.6   3344=94, 931/3411=58, ~3412=49, 3.0/3385=26...(6)
      HD2   PRO   58 - HG2   PRO   97  far    0    68   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3409 from c13no.peaks (4.77, 2.28, 28.28 ppm; 4.09 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   97 + HG2   PRO   97  OK   100   100 100 100  3.9-4.0   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3410 from c13no.peaks (-0.08, 2.10, 28.28 ppm; 5.09 A):
    1 out of 3 assignments used, quality = 0.99:
      QD2   LEU   96 + HG3   PRO   97  OK    99    99 100 100  3.5-5.1   1751/2.3=96, 3327/2.3=93, 1748/1.8=92, ~3325=57...(18)
      QD2   LEU   96 - HG2   PRO  109  far    0    98   0   -  6.8-8.6
      QD2   LEU   96 - HG3   PRO   98  far    0    97   0   -  8.6-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3411 from c13no.peaks (-0.08, 2.28, 28.28 ppm; 4.86 A):
    1 out of 1 assignment used, quality = 0.85:
      QD2   LEU   96 + HG2   PRO   97  OK    85    99  85 100  3.5-5.1   1751/2.3=93, 3327/2.3=89, 1748=84, 3410/1.8=74...(19)
    Violated in 3 structures by 0.03 A.
 
    Peak 3412 from c13no.peaks (0.89, 3.82, 50.60 ppm; 3.67 A):
    1 out of 6 assignments used, quality = 0.62:
      HB3   LEU   96 + HD2   PRO   97  OK    62    73  85 100  3.5-4.1   3.2/1751=49, 4.8=45, 3374/1.8=34, 1187/4.8=32...(17)
      QG2   ILE  100 - HD2   PRO   97  far    0   100   0   -  4.4-4.7
      QD1   ILE  100 - HD2   PRO   97  far    0    90   0   -  4.7-4.9
      QQG   VAL  104 - HD2   PRO   97  far    0    73   0   -  6.5-6.8
      QD2   LEU  122 - HD2   PRO   97  far    0    63   0   -  7.0-7.3
      QD1   LEU  122 - HD2   PRO   97  far    0    65   0   -  7.2-8.0
    Violated in 3 structures by 0.06 A.
 
    Peak 3413 from c13no.peaks (-0.08, 3.82, 50.60 ppm; 4.15 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   96 + HD2   PRO   97  OK    99    99 100 100  2.4-3.5   1751=93, 3327/1.8=80, 252/40=69, 3.2/3412=67...(22)
    Violated in 0 structures by 0.00 A.
 
    Peak 3414 from c13no.peaks (-0.07, 3.24, 50.60 ppm; 4.14 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + HD3   PRO   97  OK   100   100 100 100  1.8-3.1   3327=100, 1751/1.8=86, 1748/2.3=63, 252/241=63...(23)
    Violated in 0 structures by 0.00 A.
 
    Peak 3415 from c13no.peaks (0.53, 3.82, 50.60 ppm; 5.26 A):
    1 out of 1 assignment used, quality = 0.96:
      QD1   LEU   96 + HD2   PRO   97  OK    96    96 100 100  4.8-4.9   5.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3416 from c13no.peaks (7.37, 2.58, 31.19 ppm; 4.94 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ILE  100 + HB2   PRO   97  OK    98    98 100 100  3.0-3.1   3418/2.3=83, 240/3.0=76, 246=75, 3419/2.3=69...(15)
      H     ARG  103 - HB2   PRO   97  far    0    93   0   -  7.4-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3417 from c13no.peaks (8.25, 2.58, 31.19 ppm; 5.12 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3418 from c13no.peaks (7.36, 2.10, 28.28 ppm; 4.41 A):
    1 out of 5 assignments used, quality = 1.00:
      H     ILE  100 + HG3   PRO   97  OK   100   100 100 100  2.0-3.7   240/2.3=78, 246/2.3=75, 3419/1.8=58, 245/2.3=58...(11)
      H     ILE  100 - HG3   PRO   98  far    0    98   0   -  6.3-6.4
      H     ARG  103 - HG3   PRO   97  far    0    99   0   -  6.4-8.3
      H     ARG  103 - HG3   PRO   98  far    0    96   0   -  9.4-9.8
      H     ARG  103 - HG2   PRO  109  far    0    97   0   -  9.4-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3419 from c13no.peaks (7.37, 2.28, 28.28 ppm; 5.18 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ILE  100 + HG2   PRO   97  OK    98    98 100 100  2.0-3.7   3418/1.8=93, 240/2.3=88, 246/2.3=86, 237/3386=79...(13)
      H     ARG  103 - HG2   PRO   97  far    0    93   0   -  6.3-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3420 from c13no.peaks (6.55, 3.24, 50.60 ppm; 5.28 A):
    1 out of 1 assignment used, quality = 0.96:
      QE    TYR   52 + HD3   PRO   97  OK    96    96 100 100  3.4-4.3   2.2/241=98, 228=91, 3423/1.8=89, ~40=86...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3421 from c13no.peaks (6.83, 3.24, 50.60 ppm; 4.75 A):
    1 out of 1 assignment used, quality = 0.92:
      QD    TYR   52 + HD3   PRO   97  OK    92    92 100 100  2.4-3.5   40/1.8=92, 241=91, 2.2/228=81, 2.1/3382=70...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3422 from c13no.peaks (6.91, 3.24, 50.60 ppm; 5.06 A):
    1 out of 3 assignments used, quality = 0.81:
      H     LEU   96 + HD3   PRO   97  OK    81    81 100 100  4.8-4.8   4.8=100
      HZ    PHE   92 - HD3   PRO   97  far    0    78   0   -  6.7-7.7
      QD    PHE   92 - HD3   PRO   97  far    0   100   0   -  7.1-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3423 from c13no.peaks (6.56, 3.82, 50.60 ppm; 4.78 A):
    1 out of 1 assignment used, quality = 0.87:
      QE    TYR   52 + HD2   PRO   97  OK    87    87 100 100  3.4-4.8   2.2/40=98, 228/1.8=79, ~241=70, 240/1751=60...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3426 from c13no.peaks (6.84, 3.82, 50.60 ppm; 4.77 A):
    1 out of 1 assignment used, quality = 0.81:
      QD    TYR   52 + HD2   PRO   97  OK    81    81 100 100  2.2-2.9   40=81, 241/1.8=79, 2.2/3423=74, 2.1/2061=74...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3427 from c13no.peaks (6.93, 3.82, 50.60 ppm; 5.16 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU   96 + HD2   PRO   97  OK    99    99 100 100  4.9-5.1   4.8=100
      QD    PHE   92 - HD2   PRO   97  far    0    98   0   -  7.5-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3428 from c13no.peaks (7.63, 3.82, 50.60 ppm; 5.07 A):
    0 out of 3 assignments used, quality = 0.00:
      H     ALA   95 + HD2   PRO   97  far    0    93   0   -  7.0-7.3
      HE21  GLN  101 + HD2   PRO   97  far    0    99   0   -  7.4-8.1
      H     GLY   57 + HD2   PRO   97  far    0    96   0   -  9.3-10.0
    Violated in 20 structures by 1.42 A.
 
    Peak 3429 from c13no.peaks (6.54, 2.28, 28.28 ppm; 5.02 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    TYR   52 + HG2   PRO   97  OK    99    99 100 100  4.0-5.1   228/2.3=88, ~40=74, ~241=67, 240/3411=60...(12)
    Violated in 1 structures by 0.00 A.
 
    Peak 3430 from c13no.peaks (6.85, 2.28, 28.28 ppm; 4.66 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3431 from c13no.peaks (6.92, 2.28, 28.28 ppm; 4.82 A):
    0 out of 3 assignments used, quality = 0.00:
      H     LEU   96 + HG2   PRO   97  far    0    92   0   -  6.6-7.1
      HZ    PHE   92 + HG2   PRO   97  far    0    63   0   -  8.6-9.6
      QD    PHE   92 + HG2   PRO   97  far    0   100   0   -  9.0-9.6
    Violated in 20 structures by 1.63 A.
 
    Peak 3432 from c13no.peaks (6.83, 2.10, 28.28 ppm; 5.03 A):
    1 out of 3 assignments used, quality = 0.85:
      QD    TYR   52 + HG3   PRO   97  OK    85    85 100 100  3.4-4.6   40/2.3=84, 241/2.3=81, ~228=61, ~3429=57...(13)
      QD    TYR   52 - HG2   PRO  109  far    0    83   0   -  9.6-11.5
      QD    TYR   52 - HG3   PRO   98  far    0    81   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3433 from c13no.peaks (3.58, 4.16, 66.36 ppm; 4.56 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    GLN  101 + HA    PRO   98  far    0    89   0   -  5.7-5.9
    Violated in 20 structures by 1.21 A.
 
    Peak 3434 from c13no.peaks (4.77, 4.16, 66.36 ppm; 4.87 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    PRO   97 + HA    PRO   98  OK    99    99 100 100  4.4-4.4   4.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3435 from c13no.peaks (7.37, 4.16, 66.36 ppm; 4.81 A):
    1 out of 2 assignments used, quality = 0.99:
      H     ILE  100 + HA    PRO   98  OK    99    99 100 100  4.6-4.7   454/469=76, 224/3.6=76, 3453/5.2=50, 246/5.0=48...(16)
      H     ARG  103 - HA    PRO   98  far    0    95   0   -  6.1-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3436 from c13no.peaks (7.63, 4.16, 66.36 ppm; 4.94 A):
    0 out of 2 assignments used, quality = 0.00:
      HE21  GLN  101 + HA    PRO   98  far    0    99   0   -  6.7-7.3
      H     ALA   95 + HA    PRO   98  far    0    92   0   -  9.5-10.0
    Violated in 20 structures by 1.85 A.
 
    Peak 3437 from c13no.peaks (8.10, 4.16, 66.36 ppm; 4.74 A):
    1 out of 1 assignment used, quality = 0.92:
      H     ALA  102 + HA    PRO   98  OK    92    93 100  99  3.6-4.1   467/469=66, 2.9/3448=65, 5.1/4094=46, 2033/5.3=44...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 3438 from c13no.peaks (8.50, 4.16, 66.36 ppm; 4.29 A increased from 4.03 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN  101 + HA    PRO   98  OK   100   100 100 100  4.0-4.2   469=100, 454/3435=53, 467/3437=48, 453/3.6=48...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3439 from c13no.peaks (9.57, 4.16, 66.36 ppm; 4.98 A):
    1 out of 1 assignment used, quality = 0.78:
      H     GLU   99 + HA    PRO   98  OK    78    78 100 100  3.5-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3440 from c13no.peaks (9.56, 2.40, 32.61 ppm; 4.89 A):
    1 out of 1 assignment used, quality = 0.95:
      H     GLU   99 + HB2   PRO   98  OK    95    95 100 100  3.5-3.6   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3441 from c13no.peaks (9.56, 1.99, 32.61 ppm; 4.59 A):
    1 out of 2 assignments used, quality = 0.95:
      H     GLU   99 + HB3   PRO   98  OK    95    95 100 100  4.2-4.3   3.9=100
      H     GLU   99 - HB    VAL  104  far    0    65   0   -  9.3-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3442 from c13no.peaks (7.37, 1.99, 32.61 ppm; 5.50 A increased from 4.88 A):
    1 out of 4 assignments used, quality = 0.65:
      H     ARG  103 + HB    VAL  104  OK    65    65 100 100  5.1-5.3   3583/1.9=95, 486/4.0=91, 495/4.4=73, 3572/3.0=70...(15)
      H     ILE  100 - HB3   PRO   98  far    0    99   0   -  6.2-6.3
      H     ILE  100 - HB    VAL  104  far    0    71   0   -  7.1-7.6
      H     ARG  103 - HB3   PRO   98  far    0    95   0   -  8.1-8.6
    Violated in 1 structures by 0.00 A.
 
    Peak 3443 from c13no.peaks (6.91, 2.40, 32.61 ppm; 4.96 A):
    0 out of 1 assignment used, quality = 0.00:
      H     LEU   96 + HB2   PRO   98  far    0    73   0   -  9.7-10.4
    Violated in 20 structures by 4.95 A.
 
    Peak 3444 from c13no.peaks (9.56, 3.90, 50.93 ppm; 5.36 A):
    1 out of 1 assignment used, quality = 0.94:
      H     GLU   99 + HD2   PRO   98  OK    94    95 100 100  2.7-2.7   5.6=88, 465/1.8=86, 1190/2.5=85, 1191/7.1=39...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3445 from c13no.peaks (9.56, 3.83, 50.93 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 0.95:
      H     GLU   99 + HD3   PRO   98  OK    95    95 100 100  3.9-3.9   5.6=95, 1190/2.5=87, 3444/1.8=85, 6.2/3398=49...(9)
      H     GLU   99 - HD2   PRO  126  far    0    86   0   -  8.9-18.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3446 from c13no.peaks (4.76, 3.90, 50.93 ppm; 3.32 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   97 + HD2   PRO   98  OK   100   100 100 100  2.6-2.6   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3447 from c13no.peaks (4.76, 3.83, 50.93 ppm; 3.28 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO   97 + HD3   PRO   98  OK   100   100 100 100  2.4-2.4   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3448 from c13no.peaks (1.44, 4.16, 66.36 ppm; 4.83 A):
    1 out of 1 assignment used, quality = 0.95:
      QB    ALA  102 + HA    PRO   98  OK    95   100 100  95  3.9-4.4   2.9/3437=68, 1793/469=52, 5.9/4094=39, 1796/2.3=33
    Violated in 0 structures by 0.00 A.
 
    Peak 3449 from c13no.peaks (0.92, 4.16, 66.36 ppm; 4.70 A):
    0 out of 3 assignments used, quality = 0.00:
      HB3   LEU   96 + HA    PRO   98  far    0   100   0   -  5.7-6.0
      QG2   ILE  100 + HA    PRO   98  far    0    76   0   -  6.6-6.8
      QD1   LEU   93 + HA    PRO   98  far    0    96   0   -  9.2-10.0
    Violated in 20 structures by 0.83 A.
 
    Peak 3450 from c13no.peaks (7.37, 2.34, 36.69 ppm; 4.20 A):
    1 out of 3 assignments used, quality = 0.94:
      H     ILE  100 + QG    GLU   99  OK    94    95 100 100  1.9-3.1   4.3=90, 3453/2.1=76, 224/4.1=52, 237/3477=46...(16)
      H     ARG  103 - QG    GLU   99  far    0    87   0   -  4.7-5.7
      H     GLU   67 - HG3   GLU   60  far    0    81   0   -  9.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3451 from c13no.peaks (9.55, 2.34, 36.69 ppm; 4.51 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLU   99 + QG    GLU   99  OK    99    99 100 100  1.9-3.9   4.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3452 from c13no.peaks (9.54, 2.04, 28.97 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU   99 + QB    GLU   99  OK   100   100 100 100  2.2-2.7   3.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3453 from c13no.peaks (7.36, 2.04, 28.97 ppm; 3.83 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ILE  100 + QB    GLU   99  OK   100   100 100 100  2.6-3.3   4.0=86, 243/2.1=76, 224/1191=56, 233/3474=49...(16)
      H     ARG  103 - QB    GLU   99  far    0    99   0   -  5.4-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3454 from c13no.peaks (2.05, 2.34, 36.69 ppm; 2.42 A):
    1 out of 9 assignments used, quality = 1.00:
      QB    GLU   99 + QG    GLU   99  OK   100   100 100 100  2.0-2.1   2.1=100
      HB3   PRO   97 - QG    GLU   99  far    0    95   0   -  3.4-6.2
      HB2   GLN  101 - QG    GLU   99  far    0    98   0   -  5.4-6.8
      HG3   GLN  101 - QG    GLU   99  far    0   100   0   -  5.9-8.0
      HB2   GLU  125 - QG    GLU   99  far    0    97   0   -  6.5-13.1
      QG    PRO  126 - QG    GLU   99  far    0    83   0   -  7.0-13.8
      HB3   PRO   58 - HG3   GLU   60  far    0    53   0   -  8.8-9.3
      HB3   PRO   58 - QG    GLU   99  far    0    65   0   -  9.6-11.1
      HG    LEU   68 - HG3   GLU   60  far    0    87   0   -  9.9-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3455 from c13no.peaks (1.97, 4.01, 63.38 ppm; 3.98 A):
    1 out of 6 assignments used, quality = 0.57:
      HB2   ARG  103 + HA    ILE  100  OK    57    60 100  95  2.2-3.4   3.0/3548=56, 3.0/3549=47, 4.3/737=40, 4.0/3496=24...(9)
      HB    VAL  104 - HA    ILE  100  far    0   100   0   -  5.2-5.6
      QB    ARG  123 - HA    ILE  100  far    0    99   0   -  5.9-8.4
      HB3   GLN  101 - HA    ILE  100  far    0    90   0   -  6.5-6.6
      HB3   PRO   98 - HA    ILE  100  far    0    78   0   -  8.6-8.7
      HB3   PRO  126 - HA    ILE  100  far    0    92   0   -  9.3-18.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3456 from c13no.peaks (2.04, 1.81, 38.78 ppm; 4.86 A increased from 3.89 A):
    4 out of 6 assignments used, quality = 1.00:
      HG3   GLN  101 + HB    ILE  100  OK    95    96 100  99  3.9-5.0   4105/1136=73, 3323/3463=58, 4102/235=54, 3.9/3460=49...(8)
      HB2   GLN  101 + HB    ILE  100  OK    90    90 100  99  4.3-4.6   4.1/1136=76, 3532/235=65, 3.0/3460=57, 3506/3463=43...(8)
      HB3   PRO   97 + HB    ILE  100  OK    85    99  85 100  4.8-5.2   1.8/3393=78, 3.0/3378=77, 3.0/3483=70, ~1614=53...(23)
      QB    GLU   99 + HB    ILE  100  OK    30   100  30 100  4.8-5.4   3453/235=84, 2.1/3457=74, 3474/2.9=69, ~1613=54...(14)
      QB    GLU   54 - HB    ILE  100  far    0    76   0   -  6.9-8.4
      HB2   GLU  125 - HB    ILE  100  far    0    87   0   -  9.8-15.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3457 from c13no.peaks (2.31, 1.81, 38.78 ppm; 4.95 A increased from 4.66 A):
    1 out of 3 assignments used, quality = 0.73:
      QG    GLU   99 + HB    ILE  100  OK    73    73 100 100  3.6-4.7   4.3/235=78, 3477/2.9=76, 3475/2.9=73, 1613/2.1=72...(13)
      QG    GLU  125 - HB    ILE  100  far    0    97   0   -  9.2-14.7
      QB    GLN  107 - HB    ILE  100  far    0    92   0   -  9.3-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3458 from c13no.peaks (2.59, 1.81, 38.78 ppm; 5.37 A):
    1 out of 1 assignment used, quality = 0.99:
      HB2   PRO   97 + HB    ILE  100  OK    99    99 100 100  4.1-4.6   3.0/3378=87, 3393=86, 3.0/3483=82, 3395/2.9=80...(25)
    Violated in 0 structures by 0.00 A.
 
    Peak 3459 from c13no.peaks (3.23, 1.81, 38.78 ppm; 4.34 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   PRO   97 + HB    ILE  100  OK   100   100 100 100  2.0-2.2   3378=100, 1614/2.1=80, 1.8/3483=70, 240/235=66...(23)
      QD    ARG  103 - HB    ILE  100  far    0    96   0   -  7.6-7.9
      QD    ARG  124 - HB    ILE  100  far    0    97   0   -  8.0-14.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3460 from c13no.peaks (3.56, 1.81, 38.78 ppm; 5.40 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLN  101 + HB    ILE  100  OK   100   100 100 100  4.0-4.2   2.9/1136=98, 3331/3463=76, 6.1=68, ~1677=65...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 3461 from c13no.peaks (3.25, 4.01, 63.38 ppm; 5.15 A increased from 4.58 A):
    2 out of 2 assignments used, quality = 0.95:
      HD3   PRO   97 + HA    ILE  100  OK    87    87 100 100  4.9-5.1   240/3.0=78, 3378/3.0=72, 1614/3.2=70, 2728/2732=60...(17)
      QD    ARG  103 + HA    ILE  100  OK    66    97  68 100  5.0-5.4   2.5/3548=88, 3.3/3455=83, 2.5/3549=81, 4007/4005=60...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 3462 from c13no.peaks (0.51, 4.01, 63.38 ppm; 5.37 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3463 from c13no.peaks (0.54, 1.81, 38.78 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HB    ILE  100  OK   100   100 100 100  2.7-3.5   1609/2.1=98, 2.1/3464=71, ~3465=64, 1140/1136=61...(25)
    Violated in 0 structures by 0.00 A.
 
    Peak 3464 from c13no.peaks (-0.08, 1.81, 38.78 ppm; 4.57 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + HB    ILE  100  OK   100   100 100 100  2.4-4.0   3465/2.1=97, 3472/3.2=80, 2.1/3463=77, ~1609=71...(20)
    Violated in 0 structures by 0.00 A.
 
    Peak 3465 from c13no.peaks (-0.08, 0.90, 19.22 ppm; 3.23 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + QG2   ILE  100  OK   100   100 100 100  1.9-3.1   2.1/1609=72, 1743=51, 3472/3.0=47, 3464/2.1=34...(21)
    Violated in 0 structures by 0.00 A.
 
    Peak 3466 from c13no.peaks (1.16, 1.58, 28.28 ppm; 2.70 A):
    1 out of 1 assignment used, quality = 0.99:
      HG13  ILE  100 + HG12  ILE  100  OK    99    99 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3467 from c13no.peaks (0.90, 1.58, 28.28 ppm; 2.83 A):
    2 out of 4 assignments used, quality = 1.00:
      QG2   ILE  100 + HG12  ILE  100  OK    98   100 100  98  2.6-2.7   3.2=71, 1617/3482=28, 1674/237=26, 1609/3468=19...(18)
      QD1   ILE  100 + HG12  ILE  100  OK    78    78 100 100  2.1-2.1   2.1=100
      HB3   LEU   96 - HG12  ILE  100  far    0    87   0   -  4.3-4.8
      QD2   LEU  118 - HG12  ILE  100  far    0    95   0   -  9.5-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3468 from c13no.peaks (0.54, 1.58, 28.28 ppm; 4.91 A increased from 4.62 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HG12  ILE  100  OK   100   100 100 100  4.2-4.7   1609/3.2=93, 3463/2.9=75, 2.1/3469=75, ~3472=73...(24)
    Violated in 0 structures by 0.00 A.
 
    Peak 3469 from c13no.peaks (-0.08, 1.58, 28.28 ppm; 4.98 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + HG12  ILE  100  OK   100   100 100 100  2.9-4.4   3472/2.1=99, 3465/3.2=91, 2.1/3468=78, 3464/2.9=74...(23)
    Violated in 0 structures by 0.00 A.
 
    Peak 3470 from c13no.peaks (0.54, 1.17, 28.28 ppm; 5.50 A increased from 5.19 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HG13  ILE  100  OK   100   100 100 100  4.8-5.5   1609/3.2=99, 3468/1.8=93, 3463/2.9=87, ~3472=85...(21)
    Violated in 1 structures by 0.00 A.
 
    Peak 3471 from c13no.peaks (-0.08, 1.17, 28.28 ppm; 5.34 A):
    1 out of 1 assignment used, quality = 0.85:
      QD2   LEU   96 + HG13  ILE  100  OK    85   100  85 100  4.1-5.7   3472/2.1=100, 3465/3.2=96, 3469/1.8=89, 3464/2.9=82...(18)
    Violated in 3 structures by 0.06 A.
 
    Peak 3472 from c13no.peaks (-0.08, 0.88, 12.75 ppm; 3.41 A):
    1 out of 1 assignment used, quality = 0.85:
      QD2   LEU   96 + QD1   ILE  100  OK    85   100  85 100  2.9-4.4   3465/3.0=55, 240/237=39, 3464/3.2=33, 3469/2.1=32...(23)
    Violated in 3 structures by 0.15 A.
 
    Peak 3473 from c13no.peaks (1.58, 1.17, 28.28 ppm; 2.71 A):
    1 out of 2 assignments used, quality = 1.00:
      HG12  ILE  100 + HG13  ILE  100  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   LEU  122 - HG13  ILE  100  far    0    96   0   -  6.3-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3474 from c13no.peaks (2.06, 1.17, 28.28 ppm; 3.89 A):
    1 out of 7 assignments used, quality = 0.96:
      QB    GLU   99 + HG13  ILE  100  OK    96    97 100  99  3.3-3.8   2.1/3475=56, 3453/233=51, ~3477=42, ~2230=42...(13)
      HB3   PRO   97 - HG13  ILE  100  far    0    81   0   -  4.8-5.2
      HB2   GLN  101 - HG13  ILE  100  far    0   100   0   -  6.1-6.6
      HG3   GLN  101 - HG13  ILE  100  far    0   100   0   -  6.4-7.3
      HB2   GLU  125 - HG13  ILE  100  far    0   100   0   -  7.4-13.7
      HB3   PRO   58 - HG13  ILE  100  far    0    85   0   -  8.7-9.4
      QG    PRO  126 - HG13  ILE  100  far    0    96   0   -  9.1-14.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3475 from c13no.peaks (2.32, 1.17, 28.28 ppm; 4.50 A):
    1 out of 2 assignments used, quality = 0.89:
      QG    GLU   99 + HG13  ILE  100  OK    89    89 100 100  1.9-2.7   2.1/3474=87, 3477/1.8=82, 4.3/233=60, 1613/3.2=56...(11)
      QG    GLU  125 - HG13  ILE  100  far    0    89   0   -  7.3-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3476 from c13no.peaks (2.06, 1.58, 28.28 ppm; 3.63 A):
    0 out of 6 assignments used, quality = 0.00:
      QB    GLU   99 + HG12  ILE  100  far    0    89   0   -  4.4-5.2
      HB3   PRO   97 + HG12  ILE  100  far    0    63   0   -  4.5-4.6
      HG3   GLN  101 + HG12  ILE  100  far    0    97   0   -  5.9-7.0
      HB2   GLN  101 + HG12  ILE  100  far    0    99   0   -  6.3-6.7
      HB3   PRO   58 + HG12  ILE  100  far    0    96   0   -  7.3-8.0
      HB2   GLU  125 + HG12  ILE  100  far    0   100   0   -  7.6-14.4
    Violated in 20 structures by 0.45 A.
 
    Peak 3477 from c13no.peaks (2.32, 1.58, 28.28 ppm; 4.35 A increased from 4.09 A):
    1 out of 2 assignments used, quality = 0.88:
      QG    GLU   99 + HG12  ILE  100  OK    88    89 100 100  2.9-4.3   3475/1.8=74, ~3474=58, 4.3/237=58, 1613/3.2=53...(12)
      QG    GLU  125 - HG12  ILE  100  far    0    89   0   -  8.1-13.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3478 from c13no.peaks (3.23, 1.17, 28.28 ppm; 4.91 A):
    1 out of 3 assignments used, quality = 1.00:
      HD3   PRO   97 + HG13  ILE  100  OK   100   100 100 100  3.5-4.1   2728/2.1=88, 1614/3.2=79, 3378/2.9=79, 240/233=72...(23)
      QD    ARG  124 - HG13  ILE  100  far    0    97   0   -  5.7-12.4
      QD    ARG  103 - HG13  ILE  100  far    0    96   0   -  6.8-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3480 from c13no.peaks (3.79, 1.17, 28.28 ppm; 4.46 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    VAL  104 + HG13  ILE  100  far    0    97   0   -  8.3-9.0
    Violated in 20 structures by 4.26 A.
 
    Peak 3481 from c13no.peaks (3.81, 1.58, 28.28 ppm; 4.57 A):
    1 out of 7 assignments used, quality = 0.98:
      HD2   PRO   97 + HG12  ILE  100  OK    98    98 100 100  3.4-3.6   3375=98, 2.3/3386=83, 3483/2.9=64, ~2728=58...(24)
      HA    GLU   54 - HG12  ILE  100  far    0    78   0   -  6.2-7.6
      HD3   PRO   98 - HG12  ILE  100  far    0    68   0   -  7.3-7.4
      QA    GLY  128 - HG12  ILE  100  far    0    60   0   -  7.5-19.7
      HA    VAL  104 - HG12  ILE  100  far    0    96   0   -  8.7-9.2
      HD2   PRO  126 - HG12  ILE  100  far    0    95   0   -  9.6-15.7
      HD3   PRO   58 - HG12  ILE  100  far    0    99   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3482 from c13no.peaks (4.02, 1.58, 28.28 ppm; 3.91 A):
    1 out of 1 assignment used, quality = 0.92:
      HA    ILE  100 + HG12  ILE  100  OK    92    93 100  99  3.7-3.8   3.9=99
    Violated in 0 structures by 0.00 A.
 
    Peak 3483 from c13no.peaks (3.81, 1.81, 38.78 ppm; 4.62 A):
    1 out of 6 assignments used, quality = 0.98:
      HD2   PRO   97 + HB    ILE  100  OK    98    98 100 100  3.6-3.9   1.8/3378=87, 3375/2.9=68, ~1614=64, 3.0/3393=60...(22)
      HD3   PRO   98 - HB    ILE  100  far    0    68   0   -  6.6-6.9
      HA    VAL  104 - HB    ILE  100  far    0    96   0   -  7.4-7.8
      QA    GLY  128 - HB    ILE  100  far    0    60   0   -  7.8-20.9
      HA    GLU   54 - HB    ILE  100  far    0    78   0   -  8.1-9.3
      HA2   GLY   94 - HB    ILE  100  far    0    81   0   -  8.4-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3484 from c13no.peaks (4.31, 0.88, 12.75 ppm; 4.58 A):
    1 out of 2 assignments used, quality = 0.79:
      HA    ARG  123 + QD1   ILE  100  OK    79    89 100  89  2.5-4.1   4.2/2729=57, 4021=43, 2.5/4039=42, 3.9/631=20
      HA    LEU  122 - QD1   ILE  100  far    0   100   0   -  5.4-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3485 from c13no.peaks (6.54, 0.88, 12.75 ppm; 3.98 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   52 + QD1   ILE  100  OK   100   100 100 100  2.3-3.6   237=97, 234/2.1=65, 240/3472=58, 2.2/3486=46...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 3486 from c13no.peaks (6.83, 0.88, 12.75 ppm; 5.07 A increased from 4.27 A):
    1 out of 1 assignment used, quality = 0.98:
      QD    TYR   52 + QD1   ILE  100  OK    98    98 100 100  4.0-4.9   2.2/237=94, 252/3472=85, 241/2728=71, ~234=64...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 3487 from c13no.peaks (6.92, 0.88, 12.75 ppm; 4.92 A):
    0 out of 4 assignments used, quality = 0.00:
      HE22  GLN  107 + QD1   ILE  100  far    0    78   0   -  6.4-6.9
      QD    PHE   92 + QD1   ILE  100  far    0   100   0   -  7.2-7.7
      H     LEU   96 + QD1   ILE  100  far    0    95   0   -  7.4-7.7
      HE22  GLN   59 + QD1   ILE  100  far    0    99   0   -  8.6-9.7
    Violated in 20 structures by 0.98 A.
 
    Peak 3488 from c13no.peaks (7.37, 0.88, 12.75 ppm; 3.93 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ILE  100 + QD1   ILE  100  OK   100   100 100 100  3.6-4.0   237/2.1=83, 233/2.1=80, 235/3.2=73, 3.0/2732=67...(24)
      H     ARG  103 - QD1   ILE  100  far    0    98   0   -  5.1-5.4
    Violated in 1 structures by 0.00 A.
 
    Peak 3489 from c13no.peaks (8.49, 0.88, 12.75 ppm; 5.03 A increased from 4.47 A):
    1 out of 4 assignments used, quality = 0.99:
      H     GLN  101 + QD1   ILE  100  OK    99    99 100 100  4.7-4.8   1136/3.2=90, 5.3=85, 454/3488=84, 3.6/2732=83...(20)
      H     GLY  127 - QD1   ILE  100  far    0   100   0   -  7.5-13.1
      H     ALA  116 - QD1   ILE  100  far    0    89   0   -  8.1-8.8
      H     GLN   59 - QD1   ILE  100  far    0   100   0   -  8.5-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3490 from c13no.peaks (7.37, 1.17, 28.28 ppm; 3.87 A):
    1 out of 2 assignments used, quality = 0.96:
      H     ILE  100 + HG13  ILE  100  OK    96    96 100 100  2.1-2.5   233=96, 237/1.8=84, 235/2.9=73, 3488/2.1=66...(20)
      H     ARG  103 - HG13  ILE  100  far    0    89   0   -  5.6-5.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3491 from c13no.peaks (8.50, 1.17, 28.28 ppm; 4.82 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLN  101 + HG13  ILE  100  OK   100   100 100 100  4.1-4.4   1136/2.9=92, 454/233=87, 5.2=80, 3.6/424=76...(20)
      H     GLY  127 - HG13  ILE  100  far    0    99   0   -  8.2-17.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3492 from c13no.peaks (7.37, 1.58, 28.28 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 0.96:
      H     ILE  100 + HG12  ILE  100  OK    96    96 100 100  3.1-3.3   237=95, 233/1.8=77, 235/2.9=70, 3488/2.1=62...(22)
      H     ARG  103 - HG12  ILE  100  far    0    89   0   -  6.7-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3493 from c13no.peaks (8.51, 1.58, 28.28 ppm; 4.69 A increased from 4.42 A):
    1 out of 2 assignments used, quality = 0.93:
      H     GLN  101 + HG12  ILE  100  OK    93    93 100 100  4.3-4.5   231/237=89, 1136/2.9=84, 1677/3.2=76, 5.2=74...(19)
      H     GLY  127 - HG12  ILE  100  far    0    81   0   -  9.8-17.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3494 from c13no.peaks (8.51, 1.81, 38.78 ppm; 3.84 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLN  101 + HB    ILE  100  OK    99    99 100 100  2.3-2.4   1136=99, 231/235=76, 1677/2.1=67, 3493/2.9=43...(22)
    Violated in 0 structures by 0.00 A.
 
    Peak 3495 from c13no.peaks (7.37, 1.81, 38.78 ppm; 3.65 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ILE  100 + HB    ILE  100  OK   100   100 100 100  2.5-2.6   235=100, 454/1136=63, 237/2.9=62, 1674/2.1=61...(24)
      H     ARG  103 - HB    ILE  100  far    0    98   0   -  5.2-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3496 from c13no.peaks (7.37, 4.01, 63.38 ppm; 3.75 A):
    2 out of 2 assignments used, quality = 1.00:
      H     ILE  100 + HA    ILE  100  OK   100   100 100 100  2.9-2.9   3.0=100
      H     ARG  103 + HA    ILE  100  OK    95    98 100  97  3.1-3.4   4.0/3455=41, 3564/3548=35, 486/737=33, 3562/3549=33...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 3497 from c13no.peaks (8.06, 4.01, 63.38 ppm; 5.12 A):
    1 out of 2 assignments used, quality = 0.80:
      H     ALA  102 + HA    ILE  100  OK    80    81 100 100  4.0-4.6   457/3.6=67, 6.3/3455=43, 6.9=41, 230/3496=40...(17)
      H     GLY  106 - HA    ILE  100  far    0    99   0   -  7.5-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3498 from c13no.peaks (8.51, 4.01, 63.38 ppm; 4.46 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLN  101 + HA    ILE  100  OK    99    99 100 100  3.6-3.6   3.6=100
      H     GLY  127 - HA    ILE  100  far    0    93   0   -  8.6-18.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3499 from c13no.peaks (8.92, 3.84, 44.13 ppm; 5.33 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3500 from c13no.peaks (0.54, 3.56, 60.67 ppm; 3.79 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HA    GLN  101  OK   100   100 100 100  2.4-3.0   3331=100, 3.2/3509=53, 1140/2.9=47, 3324/434=44...(28)
    Violated in 0 structures by 0.00 A.
 
    Peak 3501 from c13no.peaks (0.88, 3.56, 60.67 ppm; 3.35 A):
    2 out of 5 assignments used, quality = 0.99:
      QQG   VAL  104 + HA    GLN  101  OK    94    95 100  99  1.8-2.0   3591/3331=44, 3512/3.0=40, 726/738=40, 3597=35...(15)
      QG2   ILE  100 + HA    GLN  101  OK    84    92  93  98  3.2-3.5   1609/3331=44, 1677/2.9=40, ~1136=26, 3465/1752=25...(20)
      QD1   LEU  122 - HA    GLN  101  far    0    90   0   -  5.4-6.1
      QD1   ILE  100 - HA    GLN  101  far    0   100   0   -  5.8-5.9
      QD2   LEU  122 - HA    GLN  101  far    0    89   0   -  6.1-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3502 from c13no.peaks (-0.08, 3.56, 60.67 ppm; 5.22 A):
    1 out of 1 assignment used, quality = 0.97:
      QD2   LEU   96 + HA    GLN  101  OK    97    97 100 100  4.6-5.0   2.1/3331=99, 1752=96, 3.2/3509=86, 1141/2.9=71...(27)
    Violated in 0 structures by 0.00 A.
 
    Peak 3503 from c13no.peaks (0.55, 2.38, 34.43 ppm; 4.00 A):
    1 out of 2 assignments used, quality = 0.91:
      QD1   LEU   96 + HG2   GLN  101  OK    91    93  98 100  2.6-3.0   3324=81, 3323/1.8=66, 3.2/4096=60, 3331/656=53...(29)
      QD1   LEU   96 - QG    GLN  105  far    0    61   0   -  5.8-7.1
    Violated in 1 structures by 0.02 A.
 
    Peak 3504 from c13no.peaks (0.88, 2.38, 34.43 ppm; 3.50 A increased from 3.30 A):
    1 out of 10 assignments used, quality = 0.90:
      QQG   VAL  104 + HG2   GLN  101  OK    90    94  98  98  3.0-3.5   3596=63, 3512/2.9=45, 3591/3324=40, 1200/1194=36...(11)
      QQG   VAL  104 - QG    GLN  105  poor  19    62  33  96  3.2-4.0   3600/2.1=51, 3601/3.3=41, 1219/4.2=39, 5.4=28...(12)
      QG2   ILE  100 - HG2   GLN  101  far    0    92   0   -  3.9-4.4
      QG2   ILE  100 - QG    GLN  105  far    0    60   0   -  6.3-7.6
      QD1   ILE  100 - HG2   GLN  101  far    0   100   0   -  6.4-6.7
      QD1   LEU  122 - HG2   GLN  101  far    0    90   0   -  6.8-7.5
      QD1   LEU  122 - QG    GLN  105  far    0    58   0   -  7.0-8.5
      QD2   LEU  122 - HG2   GLN  101  far    0    89   0   -  7.4-8.2
      QD2   LEU  122 - QG    GLN  105  far    0    57   0   -  7.7-9.6
      QD1   ILE  100 - QG    GLN  105  far    0    70   0   -  8.2-9.5
    Violated in 1 structures by 0.04 A.
 
    Peak 3505 from c13no.peaks (-0.08, 2.38, 34.43 ppm; 5.36 A):
    1 out of 2 assignments used, quality = 0.97:
      QD2   LEU   96 + HG2   GLN  101  OK    97   100  98 100  4.2-4.4   2.1/3503=98, 3.2/4096=90, ~3323=77, ~4092=73...(31)
      QD2   LEU   96 - QG    GLN  105  far    0    70   0   -  7.7-8.9
    Violated in 1 structures by 0.01 A.
 
    Peak 3506 from c13no.peaks (0.54, 2.06, 29.70 ppm; 5.18 A increased from 4.61 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HB2   GLN  101  OK   100   100 100 100  4.2-4.9   3331/3.0=91, 3324/2.9=86, 3323/2.9=86, 3513/1.8=85...(29)
    Violated in 0 structures by 0.00 A.
 
    Peak 3507 from c13no.peaks (-0.06, 2.06, 29.70 ppm; 5.50 A):
    0 out of 2 assignments used, quality = 0.00:
      QD2   LEU   96 + HB2   GLN  101  far   14    90  15   -  5.5-5.9
      QD2   LEU   96 + HB2   GLU  125  far    0    71   0   -  9.1-14.1
    Violated in 19 structures by 0.16 A.
 
    Peak 3508 from c13no.peaks (1.95, 3.56, 60.67 ppm; 3.23 A):
    1 out of 6 assignments used, quality = 1.00:
    * HB3   GLN  101 + HA    GLN  101  OK   100   100 100 100  2.6-2.7   3.0=100
      HB    VAL  104 - HA    GLN  101  far    0    92   0   -  3.9-4.3
      HB2   LEU   93 - HA    GLN  101  far    0    83   0   -  4.8-7.1
      HG    LEU  122 - HA    GLN  101  far    0    90   0   -  8.3-9.0
      HG    LEU  118 - HA    GLN  101  far    0    90   0   -  8.3-8.7
      QB    ARG  123 - HA    GLN  101  far    0    76   0   -  9.2-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3509 from c13no.peaks (1.54, 3.56, 60.67 ppm; 3.93 A):
    1 out of 2 assignments used, quality = 0.99:
      HB2   LEU   96 + HA    GLN  101  OK    99    99 100 100  3.5-3.8   3.2/3331=61, 3339=54, 1.8/3335=43, 3337/434=42...(22)
      QG    ARG  108 - HA    GLN  101  far    0    97   0   -  8.3-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3510 from c13no.peaks (1.95, 1.95, 29.70 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HB3   GLN  101 + HB3   GLN  101  OK   100   100   - 100
      HB3   GLU  125 + HB3   GLU  125  OK    61    61   - 100
 
    Peak 3511 from c13no.peaks (2.37, 1.95, 29.70 ppm; 2.96 A):
    1 out of 4 assignments used, quality = 1.00:
    * HG2   GLN  101 + HB3   GLN  101  OK   100   100 100 100  2.3-2.9   2.9=100
      QG    GLN  105 - HB3   GLN  101  far    0    60   0   -  3.3-4.8
      HB2   PRO   98 - HB3   GLN  101  far    0    63   0   -  6.6-6.8
      HB2   PRO   58 - HB3   GLU  125  far    0    50   0   -  9.8-15.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3512 from c13no.peaks (0.90, 1.95, 29.70 ppm; 3.80 A increased from 3.58 A):
    1 out of 13 assignments used, quality = 0.69:
      QQG   VAL  104 + HB3   GLN  101  OK    69    71 100  98  3.5-3.8   3504/2.9=48, 1211/1214=39, 1200/4.6=34, 3501/3.0=31...(11)
      HB3   LEU   96 - HB3   GLN  101  far    0    76   0   -  4.1-4.9
      QD2   LEU  122 - HB3   GLU  125  far    0    36   0   -  4.2-8.5
      QD1   ILE  100 - HB3   GLU  125  far    0    58   0   -  5.3-9.4
      QG2   ILE  100 - HB3   GLN  101  far    0   100   0   -  5.3-5.6
      QD1   LEU  122 - HB3   GLU  125  far    0    38   0   -  5.7-10.2
      QD1   LEU  122 - HB3   GLN  101  far    0    63   0   -  7.4-8.0
      QD1   ILE  100 - HB3   GLN  101  far    0    89   0   -  7.5-7.6
      QD2   LEU  122 - HB3   GLN  101  far    0    60   0   -  7.8-8.7
      QG2   ILE  100 - HB3   GLU  125  far    0    72   0   -  7.9-11.5
      QD2   LEU  118 - HB3   GLU  125  far    0    57   0   -  9.6-14.2
      QQG   VAL  104 - HB3   GLU  125  far    0    44   0   -  9.9-13.3
      QD2   LEU  118 - HB3   GLN  101  far    0    87   0   -  9.9-10.2
    Violated in 1 structures by 0.00 A.
 
    Peak 3513 from c13no.peaks (0.55, 1.95, 29.70 ppm; 4.98 A increased from 4.69 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   96 + HB3   GLN  101  OK    99    99 100 100  4.6-5.0   3331/3.0=87, 3503/2.9=83, 3323/2.9=81, 4062/1.8=76...(28)
    Violated in 0 structures by 0.00 A.
 
    Peak 3515 from c13no.peaks (-0.05, 1.95, 29.70 ppm; 5.50 A):
    0 out of 2 assignments used, quality = 0.00:
      QD2   LEU   96 + HB3   GLN  101  far    0    85   0   -  6.2-6.5
      QD2   LEU   96 + HB3   GLU  125  far    0    55   0   -  9.5-13.2
    Violated in 20 structures by 0.76 A.
 
    Peak 3516 from c13no.peaks (3.57, 1.95, 29.70 ppm; 3.85 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    GLN  101 + HB3   GLN  101  OK    99    99 100 100  2.6-2.7   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3517 from c13no.peaks (0.90, 2.06, 29.70 ppm; 4.25 A increased from 3.78 A):
    2 out of 12 assignments used, quality = 0.93:
      HB3   LEU   96 + HB2   GLN  101  OK    76    76 100 100  3.2-4.1   3599/2.9=71, 4093/2.9=66, ~4096=47, 3.2/3506=45...(26)
      QQG   VAL  104 + HB2   GLN  101  OK    69    71  98 100  4.1-4.4   3512/1.8=87, 3504/2.9=57, 1211/1213=55, 1200/4.6=43...(11)
      QG2   ILE  100 - HB2   GLN  101  far    0   100   0   -  4.8-5.0
      QD2   LEU  122 - HB2   GLU  125  far    0    44   0   -  5.0-8.9
      QD1   LEU  122 - HB2   GLU  125  far    0    46   0   -  5.7-10.6
      QD1   ILE  100 - HB2   GLU  125  far    0    69   0   -  5.9-10.2
      QD1   ILE  100 - HB2   GLN  101  far    0    89   0   -  6.5-6.7
      QD1   LEU  122 - HB2   GLN  101  far    0    63   0   -  7.1-7.7
      QD2   LEU  122 - HB2   GLN  101  far    0    60   0   -  7.2-8.0
      QG2   ILE  100 - HB2   GLU  125  far    0    84   0   -  8.5-12.4
      QD2   LEU  118 - HB2   GLU  125  far    0    67   0   -  9.3-15.5
      QQG   VAL  104 - HB2   GLU  125  far    0    53   0   -  9.9-13.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3518 from c13no.peaks (4.76, 2.38, 34.43 ppm; 4.46 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    PRO   97 + HG2   GLN  101  far    0   100   0   -  5.6-6.0
      HA    PRO   97 + QG    GLN  105  far    0    71   0   -  9.2-10.8
    Violated in 20 structures by 1.34 A.
 
    Peak 3521 from c13no.peaks (6.92, 3.56, 60.67 ppm; 5.50 A increased from 5.39 A):
    1 out of 3 assignments used, quality = 0.48:
      H     LEU   96 + HA    GLN  101  OK    48    97  50 100  5.5-5.8   462=96, 3.8/3509=83, 1188/3331=81, 1184/3.9=73...(8)
      QD    PHE   92 - HA    GLN  101  far    0    99   0   -  7.1-8.0
      HE22  GLN  107 - HA    GLN  101  far    0    73   0   -  7.4-7.9
    Violated in 20 structures by 0.15 A.
 
    Peak 3522 from c13no.peaks (7.36, 3.56, 60.67 ppm; 4.40 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG  103 + HA    GLN  101  OK   100   100 100 100  4.1-4.4   244=90, 230/3.6=75, 486/738=60, 242/4.8=56...(14)
      H     ILE  100 - HA    GLN  101  far    0    99   0   -  5.2-5.2
    Violated in 4 structures by 0.00 A.
 
    Peak 3523 from c13no.peaks (7.62, 3.56, 60.67 ppm; 5.08 A):
    1 out of 2 assignments used, quality = 1.00:
      HE21  GLN  101 + HA    GLN  101  OK   100   100 100 100  2.4-3.8   475=100, 1194/656=87, 3.4/4089=83, 1.7/477=73...(16)
      H     ALA   95 - HA    GLN  101  far    0    97   0   -  7.4-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3524 from c13no.peaks (8.51, 3.56, 60.67 ppm; 3.76 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLN  101 + HA    GLN  101  OK    99    99 100 100  2.7-2.7   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3525 from c13no.peaks (8.08, 3.56, 60.67 ppm; 4.49 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA  102 + HA    GLN  101  OK   100   100 100 100  3.5-3.6   3.6=100
      H     GLY  106 - HA    GLN  101  far    0    96   0   -  6.5-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3526 from c13no.peaks (7.98, 3.56, 60.67 ppm; 4.19 A):
    1 out of 1 assignment used, quality = 0.90:
      H     VAL  104 + HA    GLN  101  OK    90    90 100 100  3.5-3.8   738=82, 486/3522=49, 494/516=47, 2.9/3501=41...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3529 from c13no.peaks (7.36, 1.95, 29.70 ppm; 5.50 A increased from 4.59 A):
    1 out of 5 assignments used, quality = 0.99:
      H     ARG  103 + HB3   GLN  101  OK    99    99 100 100  4.9-5.5   458/1214=90, 244/3.0=84, 242/5.8=64, 5.6/3512=61...(7)
      H     ILE  100 - HB3   GLN  101  far    0   100   0   -  5.7-6.0
      HZ2   TRP   72 - HB3   GLU  425  far    0    73   0   -  7.5-55.8
      H     ILE  100 - HB3   GLU  125  far    0    72   0   -  8.1-14.9
      H     ARG  103 - HB3   GLU  125  far    0    70   0   -  9.8-16.4
    Violated in 1 structures by 0.00 A.
 
    Peak 3530 from c13no.peaks (8.09, 1.95, 29.70 ppm; 4.21 A):
    1 out of 3 assignments used, quality = 1.00:
      H     ALA  102 + HB3   GLN  101  OK   100   100 100 100  2.9-3.5   1214=97, 1213/1.8=96, 457/3531=58, 1211/3512=48...(12)
      H     GLY  106 - HB3   GLN  101  far    0    83   0   -  7.4-7.9
      H     LEU   45 - HB3   GLU  425  far    0    46   0   -  8.1-52.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3531 from c13no.peaks (8.51, 1.95, 29.70 ppm; 3.74 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLN  101 + HB3   GLN  101  OK    93    93 100 100  3.5-3.6   4.1=78, 3535/1.8=76, 4109/2.9=54, 4105/2.9=50...(20)
      H     GLY  127 - HB3   GLU  125  far    0    51   0   -  4.2-8.1
      H     GLN   59 - HB3   GLU  125  far    0    51   0   -  9.1-16.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3532 from c13no.peaks (7.36, 2.06, 29.70 ppm; 4.58 A increased from 4.07 A):
    1 out of 5 assignments used, quality = 0.99:
      H     ILE  100 + HB2   GLN  101  OK    99   100 100  99  4.3-4.4   231/3535=82, 4102/2.9=49, 6.9=29, 3488/6.8=28...(10)
      H     ARG  103 - HB2   GLN  101  far    0    99   0   -  4.8-5.3
      HZ2   TRP   72 - HB2   GLU  425  far    0    84   0   -  8.3-56.8
      H     ILE  100 - HB2   GLU  125  far    0    84   0   -  9.2-15.6
      H     TRP   72 - HB2   GLU  425  far    0    67   0   -  9.8-54.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3533 from c13no.peaks (8.09, 2.06, 29.70 ppm; 4.04 A):
    1 out of 3 assignments used, quality = 0.96:
      H     ALA  102 + HB2   GLN  101  OK    96    96 100 100  2.5-3.0   1213=96, 1214/1.8=81, 467/4.1=52, 1210/5.8=31...(11)
      H     GLY  106 - HB2   GLN  101  far    0    65   0   -  8.3-8.8
      H     LEU   45 - HB2   GLU  425  far    0    69   0   -  8.7-53.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3534 from c13no.peaks (7.95, 2.06, 29.70 ppm; 4.06 A):
    0 out of 4 assignments used, quality = 0.00:
      H     GLU   41 + HB2   GLU  425  far    2    67   3   -  3.4-49.0
      H     GLY  128 + HB2   GLU  125  far    0    83   0   -  5.2-9.1
      H     VAL  104 + HB2   GLN  101  far    0    81   0   -  5.7-6.0
      H     GLY  121 + HB2   GLU  125  far    0    62   0   -  6.4-12.7
    Violated in 19 structures by 1.43 A.
 
    Peak 3535 from c13no.peaks (8.52, 2.06, 29.70 ppm; 3.55 A):
    1 out of 3 assignments used, quality = 0.78:
      H     GLN  101 + HB2   GLN  101  OK    78    78 100 100  2.2-2.3   4.1=67, 3531/1.8=65, 457/1213=44, 4109/2.9=40...(18)
      H     GLY  127 - HB2   GLU  125  far    6    44  13   -  2.5-7.0
      H     GLN   59 - HB2   GLU  125  far    0    44   0   -  9.5-17.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3536 from c13no.peaks (7.36, 4.18, 58.27 ppm; 3.50 A):
    1 out of 4 assignments used, quality = 1.00:
      H     ARG  103 + HA    ARG  103  OK   100   100 100 100  2.8-2.9   3.0=100
      H     ILE  100 - HA    ARG  103  far    0   100   0   -  7.1-7.5
      QE    PHE   47 - HA    LEU   86  far    0    63   0   -  7.7-7.9
      HZ2   TRP   72 - HA    LEU   86  far    0    67   0   -  9.3-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3537 from c13no.peaks (7.97, 4.18, 58.27 ppm; 4.17 A):
    1 out of 2 assignments used, quality = 0.99:
      H     VAL  104 + HA    ARG  103  OK    99    99 100 100  3.5-3.6   3.6=100
      H     ARG  124 - HA    ARG  103  far    0    63   0   -  9.3-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3539 from c13no.peaks (1.74, 1.74, 27.63 ppm; diagonal):
    2 out of 2 assignments used, quality = 1.00:
    * HG3   ARG  103 + HG3   ARG  103  OK   100   100   - 100
      HG3   ARG  123 + HG3   ARG  123  OK    95    95   - 100
 
    Peak 3540 from c13no.peaks (1.92, 1.92, 31.19 ppm; diagonal):
    3 out of 3 assignments used, quality = 1.00:
    * HB3   ARG  103 + HB3   ARG  103  OK   100   100   - 100
      QB    ARG   46 + QB    ARG   46  OK    59    59   - 100
      HB2   ARG  124 + HB2   ARG  124  OK    33    33   - 100
 
    Peak 3541 from c13no.peaks (4.18, 1.92, 31.19 ppm; 3.63 A):
    1 out of 7 assignments used, quality = 1.00:
      HA    ARG  103 + HB3   ARG  103  OK   100   100 100 100  2.6-3.0   3.0=100
      HA    LEU  118 - HB3   ARG  103  far    0    97   0   -  6.7-8.3
      HA    PRO   98 - HB3   ARG  103  far    0    81   0   -  7.9-10.0
      HA    LEU  118 - HB2   ARG  124  far    0    42   0   -  8.2-13.2
      HA3   GLY   57 - HB2   ARG  124  far    0    25   0   -  8.4-15.1
      HA2   GLY   39 - QB    ARG   46  far    0    30   0   -  9.2-10.5
      HA    GLU   67 - QB    ARG   46  far    0    29   0   -  9.6-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3543 from c13no.peaks (0.89, 2.00, 31.19 ppm; 3.32 A):
    3 out of 6 assignments used, quality = 0.91:
      QD1   LEU  122 + HB2   ARG  103  OK    67    85  85  93  2.3-3.7   3546/3.3=43, 3556/1.8=40, ~4012=26, 3994/3568=22...(11)
      QD2   LEU  122 + HB2   ARG  103  OK    60    83  80  91  2.7-3.7   4012/3.0=47, 4008/3.3=31, 3556/1.8=26, ~3556=23...(10)
      QG2   ILE  100 + HB2   ARG  103  OK    34    96  55  65  3.2-4.6   1676/3569=27, 3.2/3455=23, ~3548=15, ~3549=14...(7)
      QD1   ILE  100 - HB2   ARG  103  far    0    99   0   -  3.8-4.7
      QQG   VAL  104 - HB2   ARG  103  far    0    90   0   -  3.8-5.1
      QD2   LEU  118 - HB2   ARG  103  far    0    65   0   -  7.2-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3544 from c13no.peaks (4.18, 1.74, 27.63 ppm; 3.45 A):
    1 out of 5 assignments used, quality = 0.99:
      HA    ARG  103 + HG3   ARG  103  OK    99   100 100  99  2.4-3.3   3.8=77, 3552/2.5=52, 3.0/3562=47, ~448=35...(14)
      HA    LEU  118 - HG3   ARG  103  far    0    97   0   -  6.3-10.2
      HA3   GLY   57 - HG3   ARG  123  far    0    64   0   -  6.9-8.8
      HA    LEU  118 - HG3   ARG  123  far    0    94   0   -  7.0-9.7
      HA    PRO   98 - HG3   ARG  103  far    0    81   0   -  8.4-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3545 from c13no.peaks (4.18, 1.83, 27.63 ppm; 3.48 A):
    1 out of 6 assignments used, quality = 0.62:
      HA    LEU   86 + HG    LEU   86  OK    62    62 100 100  2.7-3.3   3.6=87, 827/2.1=78, ~3055=30, ~3077=27...(9)
      HA    ARG  103 - HG2   ARG  103  far    5   100   5   -  3.6-3.9
      HA    LEU  118 - HG2   ARG  103  far    0    97   0   -  6.5-8.9
      HA3   GLY   57 - HG2   ARG  123  far    0    62   0   -  6.9-8.6
      HA    LEU  118 - HG2   ARG  123  far    0    92   0   -  7.0-8.8
      HA    PRO   98 - HG2   ARG  103  far    0    81   0   -  9.2-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3546 from c13no.peaks (0.89, 3.24, 43.81 ppm; 3.56 A increased from 3.16 A):
    1 out of 10 assignments used, quality = 0.60:
      QD1   LEU  122 + QD    ARG  103  OK    60    65  95  97  2.4-3.6   2.1/4008=56, 4007=47, ~4012=38, 3556/3.3=26...(13)
      QD2   LEU  122 - QD    ARG  103  poor  17    63  28   -  3.3-3.9
      QQG   VAL  104 - QD    ARG  103  far    0    73   0   -  5.0-5.5
      QD1   ILE  100 - QD    ARG  103  far    0    90   0   -  5.2-5.9
      QG2   ILE  100 - QD    ARG  103  far    0   100   0   -  5.3-5.6
      QD2   LEU  118 - QD    ARG  103  far    0    85   0   -  6.8-7.5
      QD2   LEU  118 - QD    ARG  346  far    0    80   0   -  8.2-13.1
      QD1   LEU  122 - QD    ARG  346  far    0    61   0   -  8.7-09.3
      HB3   LEU   96 - QD    ARG  103  far    0    73   0   -  9.2-9.5
      QQG   VAL  104 - QD    ARG  346  far    0    68   0   -  9.3-96.6
    Violated in 4 structures by 0.03 A.
 
    Peak 3547 from c13no.peaks (3.25, 1.83, 27.63 ppm; 3.32 A):
    1 out of 7 assignments used, quality = 0.99:
      QD    ARG  103 + HG2   ARG  103  OK    99    99 100 100  2.1-2.5   2.5=100
      QD    ARG  124 - HG2   ARG  123  far    0    52   0   -  4.5-8.6
      QD    ARG  124 - HG2   ARG  103  far    0    57   0   -  4.5-12.8
      HD3   PRO   97 - HG2   ARG  123  far    0    86   0   -  6.8-10.4
      QD    ARG  103 - HG2   ARG  123  far    0    94   0   -  7.7-10.6
      HD3   PRO   97 - HG2   ARG  103  far    0    92   0   -  8.6-8.9
      HA    LEU   73 - HG    LEU   86  far    0    53   0   -  9.3-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3548 from c13no.peaks (4.00, 1.83, 27.63 ppm; 4.07 A increased from 3.83 A):
    1 out of 8 assignments used, quality = 0.94:
      HA    ILE  100 + HG2   ARG  103  OK    94    97 100  97  3.5-3.9   3455/3.0=60, 3549/1.8=58, 421=36, 737/5.6=25...(10)
      QA    GLY  121 - HG2   ARG  123  far    2    67   3   -  4.1-6.4
      HA    ILE  100 - HG2   ARG  123  far    0    92   0   -  6.0-9.7
      HB3   SER   79 - HG    LEU   86  far    0    65   0   -  7.4-11.7
      QA    GLY  121 - HG2   ARG  103  far    0    73   0   -  7.5-9.1
      HA    GLN  105 - HG2   ARG  103  far    0    65   0   -  8.9-9.7
      HB3   SER  111 - HG    LEU   86  far    0    63   0   -  9.1-11.9
      HA    PRO  112 - HG    LEU   86  far    0    46   0   -  9.9-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3549 from c13no.peaks (4.01, 1.74, 27.63 ppm; 4.72 A increased from 4.19 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    ILE  100 + HG3   ARG  103  OK    99   100 100 100  3.7-4.5   3548/1.8=90, 3455/3.0=78, 737/5.6=40, 3496/3562=32...(7)
      HA    ILE  100 - HG3   ARG  123  far    0    98   0   -  6.6-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3550 from c13no.peaks (3.25, 1.74, 27.63 ppm; 3.22 A):
    1 out of 7 assignments used, quality = 0.99:
      QD    ARG  103 + HG3   ARG  103  OK    99    99 100 100  2.1-2.5   2.5=100
      QD    ARG  124 - HG3   ARG  123  far    0    54   0   -  3.6-8.5
      QD    ARG  124 - HG3   ARG  103  far    0    57   0   -  5.2-14.3
      HD3   PRO   97 - HG3   ARG  123  far    0    88   0   -  7.3-9.7
      QD    ARG  103 - HG3   ARG  123  far    0    96   0   -  8.6-10.6
      HD3   PRO   97 - HG3   ARG  103  far    0    92   0   -  8.7-9.5
      HD2   ARG  108 - HG3   ARG  103  far    0    83   0   -  9.8-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3551 from c13no.peaks (4.01, 3.24, 43.81 ppm; 3.85 A increased from 3.42 A):
    1 out of 3 assignments used, quality = 0.56:
      HA    ARG   46 + QD    ARG   46  OK    56    61  95  97  2.1-3.7   4.2=74, 3.0/661=57, ~664=39, ~1961=32...(6)
      HA    ILE  100 - QD    ARG  103  far    0   100   0   -  5.0-5.4
      HA    GLN   71 - QD    ARG   46  far    0    55   0   -  8.4-11.4
    Violated in 2 structures by 0.04 A.
 
    Peak 3552 from c13no.peaks (4.17, 3.24, 43.81 ppm; 3.74 A):
    1 out of 5 assignments used, quality = 0.98:
      HA    ARG  103 + QD    ARG  103  OK    98    99 100 100  2.0-2.5   445=85, 3544/2.5=67, 3.0/3560=45, 3.6/3561=37...(14)
      HA    GLU   99 - QD    ARG  103  far    0    76   0   -  6.7-7.3
      HA    LEU  118 - QD    ARG  103  far    0    87   0   -  6.8-7.8
      HA    LEU  118 - QD    ARG  346  far    0    82   0   -  9.3-35.6
      HA    PRO   98 - QD    ARG  103  far    0    95   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3554 from c13no.peaks (0.89, 1.74, 27.63 ppm; 3.28 A):
    0 out of 14 assignments used, quality = 0.00:
      QD1   ILE  100 + HG3   ARG  123  far   11    86  13   -  2.8-5.1
      QD1   LEU  122 + HG3   ARG  103  far   10    65  15   -  2.1-4.5
      QD2   LEU  122 + HG3   ARG  103  far    3    63   5   -  3.3-4.5
      QD2   LEU  122 + HG3   ARG  123  far    0    59   0   -  3.5-5.6
      QQG   VAL  104 + HG3   ARG  103  far    0    73   0   -  4.2-5.8
      QG2   ILE  100 + HG3   ARG  103  far    0   100   0   -  4.2-5.6
      QG2   ILE  100 + HG3   ARG  123  far    0    98   0   -  4.7-6.9
      QD1   ILE  100 + HG3   ARG  103  far    0    90   0   -  4.8-5.7
      QD1   LEU  122 + HG3   ARG  123  far    0    61   0   -  5.3-6.8
      QD2   LEU  118 + HG3   ARG  103  far    0    85   0   -  6.0-9.4
      QQG   VAL  104 + HG3   ARG  123  far    0    69   0   -  8.2-9.7
      HB3   LEU   96 + HG3   ARG  103  far    0    73   0   -  8.4-9.3
      QD2   LEU  118 + HG3   ARG  123  far    0    81   0   -  8.7-10.6
      HB3   LEU   96 + HG3   ARG  123  far    0    69   0   -  9.0-11.2
    Violated in 4 structures by 0.01 A.
 
    Peak 3555 from c13no.peaks (0.88, 1.83, 27.63 ppm; 3.07 A):
    4 out of 14 assignments used, quality = 0.99:
      QD2   LEU  122 + HG2   ARG  103  OK    88    95 100  93  2.0-3.1   4012=62, 4008/2.5=35, ~3546=24, ~4007=22...(10)
      QD2   LEU   86 + HG    LEU   86  OK    61    61 100 100  2.1-2.1   2.1=100
      QD1   LEU  122 + HG2   ARG  103  OK    59    96  68  91  1.9-3.5   2.1/4012=42, 3546/2.5=38, 4005/3548=26, 3556/3.0=26...(9)
      QD1   ILE  100 + HG2   ARG  123  OK    35    97  53  70  2.1-5.5   2729/2.5=37, 4039/2.5=23, 3484/3.9=22, 631=20
      QD2   LEU  122 - HG2   ARG  123  far   11    89  13   -  2.7-5.4
      QD1   ILE  100 - HG2   ARG  103  far    0   100   0   -  4.0-4.6
      QG2   ILE  100 - HG2   ARG  103  far    0    85   0   -  4.1-4.9
      QG2   ILE  100 - HG2   ARG  123  far    0    78   0   -  4.3-7.3
      QD1   LEU  122 - HG2   ARG  123  far    0    90   0   -  4.4-6.7
      QQG   VAL  104 - HG2   ARG  103  far    0    98   0   -  5.1-5.9
      QG1   VAL   88 - HG    LEU   86  far    0    37   0   -  5.9-9.0
      QQG   VAL  104 - HG2   ARG  123  far    0    93   0   -  7.5-10.0
      QG2   VAL   77 - HG    LEU   86  far    0    64   0   -  8.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3556 from c13no.peaks (0.88, 1.92, 31.19 ppm; 3.45 A):
    2 out of 10 assignments used, quality = 0.95:
      QD1   LEU  122 + HB3   ARG  103  OK    88    96 100  92  1.9-2.7   4007/3.3=40, 3543/1.8=31, ~4012=29, 3994/3566=27...(11)
      QD2   LEU  122 + HB3   ARG  103  OK    57    95  65  93  2.8-3.8   4012/3.0=58, 4008/3.3=38, 3543/1.8=27, ~3546=24...(9)
      QG2   ILE  100 - HB3   ARG  103  far   13    85  15   -  3.2-4.3
      QQG   VAL  104 - HB3   ARG  103  far    0    98   0   -  3.8-4.4
      QD1   ILE  100 - HB3   ARG  103  far    0   100   0   -  3.8-5.0
      QD2   LEU  122 - HB2   ARG  124  far    0    40   0   -  4.4-7.7
      QD1   ILE  100 - HB2   ARG  124  far    0    46   0   -  5.6-8.9
      QD1   LEU  122 - HB2   ARG  124  far    0    40   0   -  6.6-9.5
      QG2   ILE  100 - HB2   ARG  124  far    0    33   0   -  7.7-11.0
      QQG   VAL  104 - HB2   ARG  124  far    0    43   0   - 10.0-13.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3557 from c13no.peaks (1.34, 4.18, 58.27 ppm; 3.63 A):
    1 out of 4 assignments used, quality = 0.69:
      HB3   LEU   86 + HA    LEU   86  OK    69    69 100 100  2.7-3.0   2.9=100
      HB3   LEU   89 - HA    LEU   86  far    0    68   0   -  3.8-4.5
      HB3   LEU   65 - HA    LEU   86  far    0    62   0   -  9.2-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3558 from c13no.peaks (1.45, 4.18, 58.27 ppm; 3.88 A):
    1 out of 4 assignments used, quality = 0.98:
      QB    ALA  102 + HA    ARG  103  OK    98   100 100  98  3.7-3.9   242/3.0=74, 5.1=45, ~230=28, ~458=27...(12)
      HB3   LEU  118 - HA    ARG  103  far    0    85   0   -  6.9-7.5
      QB    ALA   42 - HA    ARG  403  far    0   100   0   -  9.0-17.6
    Violated in 3 structures by 0.00 A.
 
    Peak 3559 from c13no.peaks (0.89, 4.18, 58.27 ppm; 3.10 A):
    1 out of 9 assignments used, quality = 0.69:
      QD2   LEU   86 + HA    LEU   86  OK    69    69 100 100  1.8-2.2   827=99, 2.1/3545=53, 3077/3.0=41, ~3055=23...(9)
      QD1   LEU  122 - HA    ARG  103  far    0    85   0   -  4.2-4.8
      QQG   VAL  104 - HA    ARG  103  far    0    90   0   -  4.5-4.7
      QD2   LEU  122 - HA    ARG  103  far    0    83   0   -  4.8-5.7
      QG1   VAL   88 - HA    LEU   86  far    0    52   0   -  4.9-7.0
      QG2   ILE  100 - HA    ARG  103  far    0    96   0   -  5.6-5.8
      QD1   ILE  100 - HA    ARG  103  far    0    99   0   -  6.3-6.8
      QD2   LEU  118 - HA    ARG  103  far    0    65   0   -  7.9-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3560 from c13no.peaks (7.37, 3.24, 43.81 ppm; 4.48 A increased from 4.22 A):
    1 out of 5 assignments used, quality = 0.97:
      H     ARG  103 + QD    ARG  103  OK    97    97 100 100  4.1-4.5   3562/2.5=78, 3.0/3552=77, 3568/3.3=72, 3564/2.5=71...(18)
      H     ILE  100 - QD    ARG  103  far    0   100   0   -  7.2-7.6
      H     TRP   72 - QD    ARG   46  far    0    75   0   -  7.7-10.3
      QE    PHE   47 - QD    ARG   46  far    0    97   0   -  8.5-9.6
      H     GLU   67 - QD    ARG   46  far    0    75   0   -  9.3-12.6
    Violated in 1 structures by 0.00 A.
 
    Peak 3561 from c13no.peaks (7.98, 3.24, 43.81 ppm; 4.72 A increased from 4.44 A):
    1 out of 7 assignments used, quality = 0.97:
      H     VAL  104 + QD    ARG  103  OK    97    97 100 100  4.3-4.7   729=91, 3569/3.3=74, 3.6/3552=73, 486/3560=65...(10)
      H     ARG  124 - QD    ARG  103  far    0    71   0   -  6.9-9.7
      H     GLU   41 - QD    ARG   46  far    0    88   0   -  7.6-8.8
      H     GLY  121 - QD    ARG  103  far    0    97   0   -  7.9-8.9
      H     ARG   70 - QD    ARG   46  far    0    87   0   -  8.5-12.0
      H     GLU   41 - QD    ARG  403  far    0    93   0   -  8.7-28.1
      H     LEU   73 - QD    ARG   46  far    0    87   0   -  9.3-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3562 from c13no.peaks (7.38, 1.74, 27.63 ppm; 3.84 A):
    1 out of 4 assignments used, quality = 0.72:
      H     ARG  103 + HG3   ARG  103  OK    72    85  85 100  2.8-4.3   3.0/3544=65, 3564/1.8=65, 4.8=50, 1963/2.5=50...(17)
      H     ILE  100 - HG3   ARG  103  far    0    93   0   -  5.7-7.3
      H     ILE  100 - HG3   ARG  123  far    0    89   0   -  7.4-10.5
      H     ARG  103 - HG3   ARG  123  far    0    81   0   -  9.9-12.3
    Violated in 2 structures by 0.04 A.
 
    Peak 3563 from c13no.peaks (7.82, 1.74, 27.63 ppm; 4.60 A increased from 4.09 A):
    1 out of 4 assignments used, quality = 0.93:
      H     ARG  123 + HG3   ARG  123  OK    93    93 100 100  2.3-4.4   3565/1.8=92, 4.9=80, 2.9/4033=75, 612/2.5=67...(15)
      H     ARG  123 - HG3   ARG  103  far    0    97   0   -  7.6-9.8
      H     LEU  118 - HG3   ARG  103  far    0    87   0   -  7.6-11.5
      H     LEU  118 - HG3   ARG  123  far    0    83   0   -  8.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3564 from c13no.peaks (7.38, 1.83, 27.63 ppm; 4.21 A increased from 3.96 A):
    1 out of 7 assignments used, quality = 0.72:
      H     ARG  103 + HG2   ARG  103  OK    72    85  85 100  3.8-4.6   3562/1.8=85, 4.0/448=70, 4.8=67, 1963/2.5=60...(19)
      H     ILE  100 - HG2   ARG  103  far    0    93   0   -  5.8-6.7
      H     ILE  100 - HG2   ARG  123  far    0    87   0   -  7.0-11.0
      HH2   TRP   72 - HG    LEU   86  far    0    44   0   -  7.4-8.3
      QE    PHE   47 - HG    LEU   86  far    0    63   0   -  8.4-9.0
      HZ2   TRP   72 - HG    LEU   86  far    0    60   0   -  8.5-9.6
      H     ARG  103 - HG2   ARG  123  far    0    78   0   -  9.1-12.5
    Violated in 2 structures by 0.04 A.
 
    Peak 3565 from c13no.peaks (7.82, 1.83, 27.63 ppm; 3.95 A):
    1 out of 4 assignments used, quality = 0.91:
      H     ARG  123 + HG2   ARG  123  OK    91    91 100 100  2.3-3.6   1301=95, 2.9/1231=60, 4043/1.8=60, 1300/2.5=52...(14)
      H     ARG  123 - HG2   ARG  103  far    0    97   0   -  6.5-8.0
      H     LEU  118 - HG2   ARG  123  far    0    80   0   -  8.0-9.9
      H     LEU  118 - HG2   ARG  103  far    0    87   0   -  8.2-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3566 from c13no.peaks (7.36, 1.92, 31.19 ppm; 3.68 A):
    1 out of 7 assignments used, quality = 1.00:
      H     ARG  103 + HB3   ARG  103  OK   100   100 100 100  2.3-3.5   4.0=77, 3568/1.8=76, 239/3.0=70, 486/4.3=44...(20)
      H     ILE  100 - HB3   ARG  103  far    0   100   0   -  4.9-7.1
      QE    PHE   47 - QB    ARG   46  far    0    56   0   -  7.2-7.6
      H     TRP   72 - QB    ARG   46  far    0    55   0   -  7.7-8.7
      H     GLU   67 - QB    ARG   46  far    0    29   0   -  9.2-9.9
      H     ILE  100 - HB2   ARG  124  far    0    45   0   -  9.4-14.8
      HZ2   TRP   72 - QB    ARG   46  far    0    59   0   -  9.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3567 from c13no.peaks (7.98, 1.92, 31.19 ppm; 3.96 A):
    2 out of 8 assignments used, quality = 0.97:
      H     VAL  104 + HB3   ARG  103  OK    96    97 100 100  2.5-3.1   4.3=79, 3569/1.8=75, 486/3566=59, 726/4.8=45...(11)
      H     ARG  124 + HB2   ARG  124  OK    26    26 100 100  2.5-4.0   4.0=96, 1338/1.8=47, 1339/2.5=43, 5.3/4051=27...(8)
      H     GLY  121 - HB2   ARG  124  far    0    41   0   -  5.2-10.8
      H     ARG  124 - HB3   ARG  103  far    0    71   0   -  7.5-10.5
      H     GLY  121 - HB3   ARG  103  far    0    97   0   -  7.9-9.3
      H     GLU   41 - QB    ARG   46  far    0    53   0   -  8.0-8.9
      H     ARG   70 - QB    ARG   46  far    0    52   0   -  8.3-9.9
      H     LEU   73 - QB    ARG   46  far    0    52   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3568 from c13no.peaks (7.36, 2.00, 31.19 ppm; 3.58 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG  103 + HB2   ARG  103  OK   100   100 100 100  2.1-2.8   4.0=70, 3566/1.8=70, 239/3.0=66, 486/3569=44...(21)
      H     ILE  100 - HB2   ARG  103  far    0   100   0   -  4.7-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3569 from c13no.peaks (7.98, 2.00, 31.19 ppm; 3.98 A):
    1 out of 3 assignments used, quality = 0.96:
      H     VAL  104 + HB2   ARG  103  OK    96    97 100 100  2.5-3.9   4.3=80, 486/3568=61, 3567/1.8=60, 726/4.8=45...(14)
      H     ARG  124 - HB2   ARG  103  far    0    71   0   -  7.3-10.7
      H     GLY  121 - HB2   ARG  103  far    0    97   0   -  8.7-10.2
    Violated in 1 structures by 0.00 A.
 
    Peak 3570 from c13no.peaks (4.17, 3.80, 65.63 ppm; 4.90 A):
    1 out of 3 assignments used, quality = 0.93:
      HA    ARG  103 + HA    VAL  104  OK    93    93 100 100  4.7-4.8   5.4=76, 3578/2.3=74, 3.0/3572=57, ~486=49...(15)
      HA    LEU  118 - HA    VAL  104  far    0    73   0   -  6.4-6.9
      HA    GLU   99 - HA    VAL  104  far    0    89   0   -  9.7-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3571 from c13no.peaks (6.90, 3.80, 65.63 ppm; 5.30 A):
    1 out of 3 assignments used, quality = 1.00:
      HE22  GLN  107 + HA    VAL  104  OK   100   100 100 100  1.8-3.2   488=100, 1.7/489=97, 2.3/3588=88, 3919/3941=64...(14)
      QD    PHE   92 - HA    VAL  104  far    0    87   0   -  8.1-9.0
      HZ    PHE   92 - HA    VAL  104  far    0    99   0   -  9.1-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3572 from c13no.peaks (7.37, 3.80, 65.63 ppm; 5.48 A increased from 5.15 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ARG  103 + HA    VAL  104  OK    97    97 100 100  5.2-5.3   486/3.0=99, 3583/2.3=90, 495/3.6=83, 5.8=82...(14)
      H     ILE  100 - HA    VAL  104  far    0   100   0   -  8.5-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3573 from c13no.peaks (7.48, 3.80, 65.63 ppm; 4.52 A):
    2 out of 3 assignments used, quality = 1.00:
      HE21  GLN  107 + HA    VAL  104  OK   100   100 100 100  1.9-2.4   489=100, 1.7/488=81, 2.3/3588=69, 1238/3.0=60...(14)
      H     GLN  107 + HA    VAL  104  OK    80    81 100  99  3.0-3.6   528=68, 1235/2.3=67, 4.4/3588=47, 509/3.6=40...(10)
      H     SER  111 - HA    VAL  104  far    0    60   0   -  8.8-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3574 from c13no.peaks (7.98, 3.80, 65.63 ppm; 3.84 A):
    1 out of 2 assignments used, quality = 0.97:
      H     VAL  104 + HA    VAL  104  OK    97    97 100 100  2.8-2.8   3.0=100
      H     GLY  121 - HA    VAL  104  far    0    97   0   -  8.6-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3575 from c13no.peaks (8.58, 3.80, 65.63 ppm; 4.39 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN  105 + HA    VAL  104  OK   100   100 100 100  3.5-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3576 from c13no.peaks (7.98, 1.97, 32.55 ppm; 3.58 A):
    1 out of 2 assignments used, quality = 0.97:
      H     VAL  104 + HB    VAL  104  OK    97    97 100 100  2.6-2.7   728=97, 726/1.9=86, 494/3577=43, 725/3589=28...(11)
      H     GLY  121 - HB    VAL  104  far    0    97   0   -  8.3-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3577 from c13no.peaks (8.58, 1.97, 32.55 ppm; 4.18 A increased from 3.94 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN  105 + HB    VAL  104  OK   100   100 100 100  3.9-4.1   1219/1.9=93, 4.4=84, 637/728=81, ~3601=45...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3578 from c13no.peaks (4.17, 0.87, 22.46 ppm; 4.87 A increased from 3.90 A):
    1 out of 4 assignments used, quality = 0.93:
      HA    ARG  103 + QQG   VAL  104  OK    93    93 100 100  4.5-4.7   4.9=98, 3.6/726=88, 3570/2.3=73, 3.0/3583=71...(22)
      HA    LEU  118 - QQG   VAL  104  far    0    73   0   -  6.0-6.2
      HA    PRO   98 - QQG   VAL  104  far    0    99   0   -  6.3-6.5
      HA    GLU   99 - QQG   VAL  104  far    0    89   0   -  6.6-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3579 from c13no.peaks (6.93, 0.87, 22.46 ppm; 4.71 A):
    2 out of 4 assignments used, quality = 0.83:
      HE22  GLN  107 + QQG   VAL  104  OK    65    65 100 100  3.6-4.6   ~489=58, ~1238=58, 488/2.3=51, ~3588=48...(14)
      QD    PHE   92 + QQG   VAL  104  OK    51    98  53  99  4.4-5.1   148/3591=76, 2.2/3580=69, 145/1681=65, 153/3592=47
      H     LEU   96 - QQG   VAL  104  far    0    99   0   -  5.5-5.7
      HE22  GLN   59 - QQG   VAL  104  far    0    95   0   -  8.1-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3580 from c13no.peaks (7.05, 0.87, 22.46 ppm; 4.97 A):
    1 out of 3 assignments used, quality = 0.99:
      QE    PHE   92 + QQG   VAL  104  OK    99   100 100  99  4.3-4.8   165/3591=84, 1688/1681=66, 167/3592=62, 2.2/3579=35
      QD    PHE   50 - QQG   VAL  104  far    0    60   0   -  9.4-9.9
      HD2   HIS   51 - QQG   VAL  104  far    0    90   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3581 from c13no.peaks (8.58, 0.87, 22.46 ppm; 3.88 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN  105 + QQG   VAL  104  OK   100   100 100 100  1.8-2.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3582 from c13no.peaks (7.97, 0.87, 22.46 ppm; 3.28 A):
    1 out of 4 assignments used, quality = 1.00:
      H     VAL  104 + QQG   VAL  104  OK   100   100 100 100  1.9-1.9   2.9=100
      H     ALA  115 - QQG   VAL  104  far    0    81   0   -  4.4-5.0
      H     GLY  121 - QQG   VAL  104  far    0   100   0   -  7.5-7.8
      H     GLY  128 - QQG   VAL  104  far    0    63   0   -  9.8-18.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3583 from c13no.peaks (7.37, 0.87, 22.46 ppm; 4.64 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ARG  103 + QQG   VAL  104  OK    97    97 100 100  3.4-3.5   486/2.9=91, 495/1219=69, 230/1211=63, 3.0/3578=61...(21)
      H     ILE  100 - QQG   VAL  104  far    0   100   0   -  5.1-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3584 from c13no.peaks (7.47, 0.87, 22.46 ppm; 5.03 A):
    2 out of 3 assignments used, quality = 1.00:
      HE21  GLN  107 + QQG   VAL  104  OK    96    96 100 100  3.4-4.0   489/2.3=83, 1238/1.9=81, ~488=64, ~3588=55...(16)
      H     GLN  107 + QQG   VAL  104  OK    96    96 100 100  3.6-4.0   528/2.3=86, 1235=65, 509/1219=60, 490/5.2=53...(15)
      H     SER  111 - QQG   VAL  104  far    0    83   0   -  5.2-5.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3585 from c13no.peaks (7.66, 0.87, 22.46 ppm; 5.20 A):
    0 out of 1 assignment used, quality = 0.00:
      H     LEU  122 + QQG   VAL  104  far    0    89   0   -  7.0-7.3
    Violated in 20 structures by 1.98 A.
 
    Peak 3586 from c13no.peaks (1.47, 3.80, 65.63 ppm; 4.75 A):
    1 out of 2 assignments used, quality = 0.98:
      HB3   LEU  118 + HA    VAL  104  OK    98   100 100  98  3.8-4.2   3.1/3941=81, 3.1/3938=57, 1239/489=48, ~3922=38
      QB    ALA  102 - HA    VAL  104  far    0    83   0   -  6.7-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3587 from c13no.peaks (2.33, 3.80, 65.63 ppm; 4.38 A):
    0 out of 2 assignments used, quality = 0.00:
      QG    GLU   99 + HA    VAL  104  far    0    99   0   -  8.4-9.4
      QG    GLU  125 + HA    VAL  104  far    0    63   0   -  9.5-16.4
    Violated in 20 structures by 4.52 A.
 
    Peak 3588 from c13no.peaks (2.44, 3.80, 65.63 ppm; 4.62 A):
    1 out of 1 assignment used, quality = 1.00:
      QG    GLN  107 + HA    VAL  104  OK   100   100 100 100  2.8-4.5   2.3/489=78, 2.3/488=76, 3936/3941=66, 1232/528=55...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 3589 from c13no.peaks (0.54, 1.97, 32.55 ppm; 3.97 A):
    1 out of 2 assignments used, quality = 0.99:
      QD1   LEU   96 + HB    VAL  104  OK    99   100 100  99  2.8-3.6   3591/1.9=93, 725/728=46, ~3592=41, 3590/3.0=35...(6)
      QD1   LEU   96 - HB3   PRO   98  far    0    74   0   -  8.4-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3590 from c13no.peaks (0.54, 3.80, 65.63 ppm; 5.50 A increased from 5.21 A):
    1 out of 1 assignment used, quality = 0.97:
      QD1   LEU   96 + HA    VAL  104  OK    97   100  98 100  4.8-5.5   3591/2.3=100, 3589/3.0=92, 725/3.0=80, ~3592=69...(7)
    Violated in 4 structures by 0.01 A.
 
    Peak 3591 from c13no.peaks (0.54, 0.87, 22.46 ppm; 3.06 A):
    1 out of 1 assignment used, quality = 0.96:
      QD1   LEU   96 + QQG   VAL  104  OK    96   100 100  96  2.2-2.5   3589/1.9=42, 2.1/3592=32, 3324/3596=25, 725/2.9=24...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3592 from c13no.peaks (-0.07, 0.87, 22.46 ppm; 4.45 A increased from 4.19 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + QQG   VAL  104  OK   100   100 100 100  4.0-4.3   2.1/3591=97, ~3589=58, 167/3580=44, 3505/3596=40...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 3593 from c13no.peaks (1.45, 0.87, 22.46 ppm; 3.36 A):
    0 out of 3 assignments used, quality = 0.00:
      HB3   LEU  118 + QQG   VAL  104  far    0    92   0   -  4.0-4.3
      QB    ALA  102 + QQG   VAL  104  far    0   100   0   -  4.5-4.7
      QB    ALA   42 + QQG   VAL  404  far    0    99   0   -  9.4-88.2
    Violated in 20 structures by 0.57 A.
 
    Peak 3594 from c13no.peaks (1.97, 0.87, 22.46 ppm; 2.74 A):
    1 out of 7 assignments used, quality = 1.00:
      HB    VAL  104 + QQG   VAL  104  OK   100   100 100 100  1.9-1.9   1.9=100
      HB3   GLN  101 - QQG   VAL  104  far    0    90   0   -  3.5-3.8
      HB2   PRO  109 - QQG   VAL  104  far    0    73   0   -  3.7-4.0
      HB2   ARG  103 - QQG   VAL  104  far    0    60   0   -  3.8-5.1
      QB    ARG  123 - QQG   VAL  104  far    0    99   0   -  7.2-9.0
      HB3   PRO   98 - QQG   VAL  104  far    0    78   0   -  8.1-8.3
      HB3   PRO  126 - QQG   VAL  104  far    0    92   0   -  9.5-16.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3595 from c13no.peaks (2.10, 0.87, 22.46 ppm; 3.43 A increased from 3.23 A):
    2 out of 9 assignments used, quality = 0.90:
      HG2   PRO  109 + QQG   VAL  104  OK    71   100 100  71  2.2-3.4   1685/1681=32, 2.3/3597=27, 5.7/3617=21, 6.3/3629=14...(6)
      QB    GLN  105 + QQG   VAL  104  OK    66    99  68  99  3.2-3.7   1216/1219=57, 2.5/3601=57, 3600=50, 3604/2.9=33...(13)
      HB2   LEU  118 - QQG   VAL  104  far    0    85   0   -  4.5-5.0
      QB    GLU  114 - QQG   VAL  104  far    0    96   0   -  4.9-5.3
      HG3   PRO   97 - QQG   VAL  104  far    0   100   0   -  5.6-7.3
      HB3   PRO   58 - QQG   VAL  104  far    0    65   0   -  7.0-7.4
      HB2   PRO  112 - QQG   VAL  104  far    0   100   0   -  7.6-8.4
      QB    GLU   85 - QQG   VAL  104  far    0    81   0   -  8.8-9.6
      HG3   PRO   98 - QQG   VAL  104  far    0   100   0   -  9.1-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3596 from c13no.peaks (2.37, 0.87, 22.46 ppm; 4.01 A):
    1 out of 4 assignments used, quality = 0.97:
      HG2   GLN  101 + QQG   VAL  104  OK    97   100  98  99  3.0-3.5   3504=77, 3324/3591=56, 2.9/3512=46, 1194/1200=35...(11)
      HG2   GLU  114 - QQG   VAL  104  far    0    81   0   -  7.0-7.3
      HB2   PRO   58 - QQG   VAL  104  far    0    73   0   -  7.4-7.7
      HB2   PRO   98 - QQG   VAL  104  far    0    57   0   -  8.0-8.3
    Violated in 1 structures by 0.01 A.
 
    Peak 3597 from c13no.peaks (3.58, 0.87, 22.46 ppm; 3.62 A):
    2 out of 2 assignments used, quality = 0.96:
      HA    GLN  101 + QQG   VAL  104  OK    87    87 100 100  1.8-2.0   738/2.9=51, 3500/3591=44, 3501=43, 516/1219=41...(15)
      HD3   PRO  109 + QQG   VAL  104  OK    73    83 100  88  1.8-2.0   3.8/3617=46, 2.3/3595=36, 4.4/3629=26, 3671/1681=21...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 3598 from c13no.peaks (3.58, 1.97, 32.55 ppm; 4.45 A increased from 4.19 A):
    2 out of 3 assignments used, quality = 0.91:
      HA    GLN  101 + HB    VAL  104  OK    86    87 100  99  3.9-4.3   738/728=73, 3500/3589=52, 516/3577=51, 3597/1.9=50...(7)
      HD3   PRO  109 + HB    VAL  104  OK    38    83  70  65  4.1-4.7   3597/1.9=42, ~3595=32, 3708/1238=7, 3670/3930=4
      HA    GLN  101 - HB3   PRO   98  far    0    58   0   -  8.0-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3599 from c13no.peaks (0.91, 2.40, 34.43 ppm; 3.37 A):
    1 out of 12 assignments used, quality = 0.60:
      HB3   LEU   96 + HG2   GLN  101  OK    60    62  98  99  2.0-2.6   4093/1.8=40, ~4090=32, 1.8/4096=28, ~3323=24...(25)
      QG2   ILE  100 - HG2   GLN  101  far    0    64   0   -  3.9-4.4
      QD1   LEU   93 - QG    GLN  105  far    0    68   0   -  4.6-5.7
      QD1   LEU   93 - HG2   GLN  101  far    0    39   0   -  5.1-5.6
      QG2   ILE  100 - QG    GLN  105  far    0    98   0   -  6.3-7.6
      QD1   ILE  100 - HG2   GLN  101  far    0    34   0   -  6.4-6.7
      QD1   LEU  118 - HG2   GLN  101  far    0    44   0   -  6.6-7.1
      QD1   LEU  118 - QG    GLN  105  far    0    76   0   -  6.7-7.2
      HB3   LEU   96 - QG    GLN  105  far    0    97   0   -  6.7-8.6
      QD2   LEU  118 - QG    GLN  105  far    0    99   0   -  8.2-8.9
      QD1   ILE  100 - QG    GLN  105  far    0    60   0   -  8.2-9.5
      QD2   LEU  118 - HG2   GLN  101  far    0    66   0   -  8.9-9.4
    Violated in 1 structures by 0.02 A.
 
    Peak 3600 from c13no.peaks (0.90, 2.09, 28.70 ppm; 3.63 A increased from 3.42 A):
    1 out of 5 assignments used, quality = 0.59:
      QQG   VAL  104 + QB    GLN  105  OK    59    60 100  98  3.2-3.7   3.6/1216=59, 4.6=50, 2.9/3604=38, ~3577=27...(13)
      QG2   ILE  100 - QB    GLN  105  far    0   100   0   -  6.3-6.9
      HB3   LEU   96 - QB    GLN  105  far    0    85   0   -  7.4-8.5
      QD2   LEU  118 - QB    GLN  105  far    0    93   0   -  7.6-8.2
      QD1   ILE  100 - QB    GLN  105  far    0    81   0   -  8.1-8.6
    Violated in 5 structures by 0.01 A.
 
    Peak 3601 from c13no.peaks (0.87, 3.97, 59.38 ppm; 3.55 A):
    1 out of 5 assignments used, quality = 0.99:
      QQG   VAL  104 + HA    GLN  105  OK    99   100 100  99  2.9-3.1   1219/3.0=59, 4.3=55, 3595/2.5=31, ~3577=27...(16)
      QG2   ILE  100 - HA    GLN  105  far    0    60   0   -  7.2-7.5
      QD1   LEU  122 - HA    GLN  105  far    0   100   0   -  7.2-7.9
      QD2   LEU  122 - HA    GLN  105  far    0   100   0   -  8.9-9.7
      QD1   ILE  100 - HA    GLN  105  far    0    98   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3602 from c13no.peaks (8.58, 3.97, 59.38 ppm; 3.58 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN  105 + HA    GLN  105  OK   100   100 100 100  2.7-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3603 from c13no.peaks (8.59, 2.09, 28.70 ppm; 3.27 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLN  105 + QB    GLN  105  OK    99    99 100 100  2.0-2.3   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3604 from c13no.peaks (7.98, 2.09, 28.70 ppm; 4.77 A increased from 4.24 A):
    1 out of 1 assignment used, quality = 0.89:
      H     VAL  104 + QB    GLN  105  OK    89    89 100 100  4.3-4.6   494/1216=89, 2.9/3600=86, ~3601=50, 6.2=46...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3605 from c13no.peaks (8.59, 2.40, 34.43 ppm; 3.88 A increased from 3.65 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLN  105 + QG    GLN  105  OK    99    99 100 100  2.7-3.8   1216/2.1=90, 1215=90, 3.0/460=71, 1219/5.4=33...(10)
      H     GLN  105 - HG2   GLN  101  far    0    65   0   -  5.7-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3606 from c13no.peaks (2.38, 3.95, 46.37 ppm; 5.50 A increased from 4.96 A):
    1 out of 3 assignments used, quality = 0.87:
      QG    GLN  105 + QA    GLY  106  OK    87    87 100 100  4.9-5.4   5.3=100
      HB2   PRO   58 - QA    GLY  121  far    0    64   0   -  8.2-8.4
      HG2   GLN  101 - QA    GLY  106  far    0    99   0   -  9.7-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3607 from c13no.peaks (1.94, 3.95, 46.37 ppm; 5.20 A increased from 4.90 A):
    1 out of 10 assignments used, quality = 0.69:
      HG    LEU  122 + QA    GLY  121  OK    69    69 100 100  4.6-5.0   4003=99, 3988/2.5=95, 1318/2.5=84, ~1329=75...(19)
      HB3   GLU  125 - QA    GLY  121  poor  14    69  20   -  3.2-9.8
      HB3   ARG  103 - QA    GLY  106  far    0    73   0   -  5.5-6.8
      HG    LEU  118 - QA    GLY  121  far    0    69   0   -  6.4-6.8
      HB    VAL  104 - QA    GLY  106  far    0    71   0   -  6.8-7.0
      HB3   ARG  103 - QA    GLY  121  far    0    44   0   -  7.7-9.3
      HB3   GLN  101 - QA    GLY  106  far    0    97   0   -  8.6-9.0
      HB    VAL  104 - QA    GLY  121  far    0    43   0   -  8.9-9.3
      HG    LEU  118 - QA    GLY  106  far    0    99   0   -  9.0-9.6
      HG    LEU  122 - QA    GLY  106  far    0    99   0   -  9.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3608 from c13no.peaks (1.59, 3.95, 46.37 ppm; 5.50 A increased from 5.33 A):
    1 out of 7 assignments used, quality = 0.48:
      HB3   LEU  122 + QA    GLY  121  OK    48    48 100 100  5.4-5.5   5.4=100
      QG    ARG   48 - QA    GLY  421  far    0    39   0   -  6.5-27.3
      QB    ALA   43 - QA    GLY  421  far    0    55   0   -  8.5-13.0
      HB3   LEU  122 - QA    GLY  106  far    0    78   0   -  8.5-9.6
      HG    LEU   45 - QA    GLY  421  far    0    44   0   -  8.8-39.0
      HG    LEU   45 - QA    GLY  406  far    0    73   0   -  9.3-33.6
      HG12  ILE  100 - QA    GLY  121  far    0    61   0   -  9.5-10.2
    Violated in 7 structures by 0.01 A.
 
    Peak 3609 from c13no.peaks (0.88, 3.95, 46.37 ppm; 5.16 A):
    2 out of 10 assignments used, quality = 0.99:
      QQG   VAL  104 + QA    GLY  106  OK    97    97 100 100  4.8-5.0   1235/2.5=84, 5.6=77, 3601/4.5=67, 1219/5.3=62...(15)
      QD1   LEU  122 + QA    GLY  121  OK    62    62 100 100  4.8-5.1   1329/2.5=99, 2.1/4003=81, 5.5=81, 1322/2.5=80...(18)
      QD2   LEU  122 - QA    GLY  121  far    0    61   0   -  5.4-5.6
      QD1   LEU  122 - QA    GLY  106  far    0    95   0   -  6.1-6.9
      QD1   ILE  100 - QA    GLY  121  far    0    70   0   -  6.2-6.8
      QG2   ILE  100 - QA    GLY  121  far    0    55   0   -  7.0-7.4
      QD2   LEU  122 - QA    GLY  106  far    0    93   0   -  7.5-8.5
      QG2   ILE  100 - QA    GLY  106  far    0    87   0   -  7.6-8.1
      QQG   VAL  104 - QA    GLY  121  far    0    65   0   -  7.8-8.1
      QD1   ILE  100 - QA    GLY  106  far    0   100   0   -  8.7-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3610 from c13no.peaks (4.74, 3.95, 46.37 ppm; 4.16 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3611 from c13no.peaks (7.47, 3.95, 46.37 ppm; 4.30 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLN  107 + QA    GLY  106  OK    99    99 100 100  2.7-2.8   2.5=100
      HE21  GLN  107 - QA    GLY  106  far   15    87  18   -  3.4-5.3
      HE21  GLN  107 - QA    GLY  121  far    0    55   0   -  7.3-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3612 from c13no.peaks (7.65, 3.95, 46.37 ppm; 4.31 A):
    1 out of 3 assignments used, quality = 0.70:
      H     LEU  122 + QA    GLY  121  OK    70    70 100 100  2.7-2.8   2.5=100
      HE21  GLN  101 - QA    GLY  106  far    0    63   0   -  8.9-10.6
      H     PHE   47 - QA    GLY  421  far    0    70   0   -  9.7-39.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3613 from c13no.peaks (7.97, 3.95, 46.37 ppm; 3.65 A):
    1 out of 6 assignments used, quality = 0.66:
      H     GLY  121 + QA    GLY  121  OK    66    66 100 100  2.2-2.2   2.5=100
      H     ARG  124 - QA    GLY  121  poor   9    39  23   -  3.2-7.0
      H     VAL  104 - QA    GLY  106  far    0    98   0   -  5.6-6.0
      H     GLU   41 - QA    GLY  421  far    0    63   0   -  7.0-34.3
      H     VAL  104 - QA    GLY  121  far    0    66   0   -  9.4-10.1
      H     LEU   73 - QA    GLY  421  far    0    56   0   -  9.9-38.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3614 from c13no.peaks (8.40, 3.95, 46.37 ppm; 4.94 A):
    1 out of 2 assignments used, quality = 0.66:
      H     ASP  120 + QA    GLY  121  OK    66    66 100 100  4.4-4.5   597/2.5=96, 594/2.5=79, 5.5=74, 1494/5.4=56...(12)
      H     ARG   44 - QA    GLY  421  far    0    41   0   -  7.3-37.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3615 from c13no.peaks (0.92, 2.30, 29.57 ppm; 3.84 A increased from 3.62 A):
    2 out of 5 assignments used, quality = 0.99:
      QD2   LEU  118 + QB    GLN  107  OK    95    97  98 100  2.6-3.8   3933=97, 3934/2.1=71, 2.1/3935=61, ~3936=42...(14)
      QD1   LEU  118 + QB    GLN  107  OK    79    99  80 100  2.6-4.1   3935=75, 2.1/3933=72, 3936/2.1=67, ~3934=44...(13)
      QD1   LEU   93 - QB    GLN  107  far    0    97   0   -  5.7-7.6
      QG2   ILE  100 - QB    GLN  107  far    0    71   0   -  6.3-7.9
      HB3   LEU   96 - QB    GLN  107  far    0   100   0   -  9.7-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3616 from c13no.peaks (3.62, 2.30, 29.57 ppm; 4.80 A):
    1 out of 1 assignment used, quality = 0.65:
      HD3   PRO  109 + QB    GLN  107  OK    65    73 100  88  2.9-4.4   529/3.2=59, 6.9=34, 3670/3933=29, 3670/3935=18...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 3617 from c13no.peaks (0.88, 4.33, 55.72 ppm; 3.44 A increased from 3.23 A):
    1 out of 8 assignments used, quality = 0.40:
      QQG   VAL  104 + HA    ARG  108  OK    40    57 100  71  3.1-3.4   3629/3.4=30, 3640/3636=28, 3597/3.8=18, 1235/6.5=13...(7)
      QQG   VAL  104 - HA    GLN  107  far    0    98   0   -  5.0-5.8
      QG1   VAL   88 - HA    ALA   61  far    0    62   0   -  6.2-7.8
      QD1   LEU  122 - HA    GLN  107  far    0    96   0   -  6.8-8.0
      QD1   LEU  122 - HA    ARG  108  far    0    54   0   -  7.9-8.6
      QG2   ILE  100 - HA    ARG  108  far    0    45   0   -  8.3-8.8
      QD2   LEU  122 - HA    GLN  107  far    0    95   0   -  9.0-10.3
      QG2   ILE  100 - HA    GLN  107  far    0    85   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3618 from c13no.peaks (0.92, 2.44, 34.43 ppm; 3.69 A increased from 3.28 A):
    2 out of 5 assignments used, quality = 0.98:
      QD2   LEU  118 + QG    GLN  107  OK    95    97  98 100  2.2-3.8   3934=96, 3933/2.1=66, 2.1/3936=63, 3915/2.3=48...(15)
      QD1   LEU  118 + QG    GLN  107  OK    64    99  65 100  2.4-3.9   3936=82, 2.1/3934=68, 3935/2.1=56, 1244/2.3=50...(17)
      QD1   LEU   93 - QG    GLN  107  far    0    97   0   -  5.7-8.1
      QG2   ILE  100 - QG    GLN  107  far    0    71   0   -  6.4-7.4
      HB3   LEU   96 - QG    GLN  107  far    0   100   0   -  9.7-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3619 from c13no.peaks (0.51, 2.44, 34.43 ppm; 4.67 A):
    0 out of 1 assignment used, quality = 0.00:
      QD1   LEU   96 + QG    GLN  107  far    0    63   0   -  6.4-8.3
    Violated in 20 structures by 3.16 A.
 
    Peak 3620 from c13no.peaks (3.20, 4.32, 55.69 ppm; 4.12 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3621 from c13no.peaks (7.47, 2.30, 29.57 ppm; 4.14 A):
    2 out of 3 assignments used, quality = 1.00:
      H     GLN  107 + QB    GLN  107  OK   100   100 100 100  2.2-2.8   3.2=100
      HE21  GLN  107 + QB    GLN  107  OK    85    85 100 100  1.9-3.1   4.0=100
      H     SER  111 - QB    GLN  107  far    0    95   0   -  7.2-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3622 from c13no.peaks (7.85, 2.30, 29.57 ppm; 4.68 A):
    0 out of 2 assignments used, quality = 0.00:
      H     LEU  118 + QB    GLN  107  far    0    89   0   -  5.6-6.8
      H     GLU  114 + QB    GLN  107  far    0    81   0   -  8.6-9.7
    Violated in 20 structures by 1.25 A.
 
    Peak 3623 from c13no.peaks (7.47, 4.33, 55.72 ppm; 3.67 A):
    1 out of 6 assignments used, quality = 1.00:
      H     GLN  107 + HA    GLN  107  OK   100   100 100 100  2.8-2.9   2.9=100
      HE21  GLN  107 - HA    GLN  107  far    2    85   3   -  3.7-4.5
      H     GLN  107 - HA    ARG  108  far    0    60   0   -  4.4-4.8
      HE21  GLN  107 - HA    ARG  108  far    0    45   0   -  5.4-6.6
      H     SER  111 - HA    ARG  108  far    0    53   0   -  6.1-6.3
      H     SER  111 - HA    GLN  107  far    0    95   0   -  9.8-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3624 from c13no.peaks (7.47, 2.44, 34.43 ppm; 3.59 A):
    2 out of 3 assignments used, quality = 1.00:
      HE21  GLN  107 + QG    GLN  107  OK    97    97 100 100  2.2-2.6   2.3=100
      H     GLN  107 + QG    GLN  107  OK    94    95 100  99  1.9-3.6   1232=94, 491/4.4=36, ~503=25, 528/3588=24...(12)
      H     SER  111 - QG    GLN  107  far    0    81   0   -  6.6-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3625 from c13no.peaks (7.87, 2.44, 34.43 ppm; 4.13 A):
    0 out of 2 assignments used, quality = 0.00:
      H     ALA   42 + QG    GLN  407  far    0    99   0   -  8.8-33.2
      H     ALA   43 + QG    GLN  407  far    0    98   0   -  9.1-34.1
    Violated in 20 structures by 89.93 A.
 
    Peak 3626 from c13no.peaks (8.32, 2.44, 34.43 ppm; 4.05 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3627 from c13no.peaks (7.66, 2.48, 34.43 ppm; 3.80 A):
    1 out of 1 assignment used, quality = 0.99:
      HE21  GLN   64 + HG3   GLN   64  OK    99    99 100 100  2.7-2.9   3.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3628 from c13no.peaks (7.62, 2.48, 34.43 ppm; 3.72 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLY   57 + HG3   GLN   64  far    0    99   0   -  8.0-8.7
    Violated in 20 structures by 4.73 A.
 
    Peak 3629 from c13no.peaks (0.88, 1.53, 26.01 ppm; 4.84 A increased from 3.87 A):
    1 out of 5 assignments used, quality = 0.95:
      QQG   VAL  104 + QG    ARG  108  OK    95    96 100 100  4.3-4.8   3617/3.4=83, 3640/2.5=79, 4.3/3632=56, 1235/6.9=29...(9)
      QD1   LEU  122 - QG    ARG  108  far    0    92   0   -  8.1-9.4
      QG2   ILE  100 - QG    ARG  108  far    0    90   0   -  8.8-9.5
      QD2   LEU  122 - QG    ARG  108  far    0    90   0   - 10.0-11.5
      QD2   LEU   86 - QG    ARG  108  far    0    99   0   - 10.0-12.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3630 from c13no.peaks (3.15, 1.53, 26.01 ppm; 3.69 A):
    1 out of 1 assignment used, quality = 1.00:
      HD3   ARG  108 + QG    ARG  108  OK   100   100 100 100  2.1-2.3   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3631 from c13no.peaks (3.27, 1.53, 26.01 ppm; 3.63 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   ARG  108 + QG    ARG  108  OK   100   100 100 100  2.2-2.5   2.5=100
      QD    ARG  103 - QG    ARG  108  far    0    76   0   -  7.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3632 from c13no.peaks (3.99, 1.53, 26.01 ppm; 4.51 A increased from 4.24 A):
    1 out of 3 assignments used, quality = 0.86:
      HA    GLN  105 + QG    ARG  108  OK    86    87 100  99  2.6-4.5   3638/2.5=78, 3637/2.5=78, 500/4.3=52, 4.3/3629=45
      HB3   SER  111 - QG    ARG  108  far    0   100   0   -  7.9-10.3
      HA    PRO  112 - QG    ARG  108  far    0    96   0   -  9.4-11.6
    Violated in 1 structures by 0.00 A.
 
    Peak 3633 from c13no.peaks (4.32, 1.53, 26.01 ppm; 3.89 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    ARG  108 + QG    ARG  108  OK   100   100 100 100  2.2-3.0   3.4=100
      HA    GLN  107 - QG    ARG  108  far    5    97   5   -  3.9-6.1
      HB2   SER  111 - QG    ARG  108  far    0    99   0   -  8.8-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3634 from c13no.peaks (0.88, 4.32, 55.46 ppm; 3.72 A):
    1 out of 8 assignments used, quality = 0.77:
      QQG   VAL  104 + HA    ARG  108  OK    77    96 100  80  3.1-3.4   3629/3.4=36, 3640/1273=35, 3597/3.8=21, 1235/6.5=17...(8)
      QQG   VAL  104 - HA    GLN  107  far    0    54   0   -  5.0-5.8
      QG1   VAL   88 - HA    ALA   61  far    0    49   0   -  6.2-7.8
      QD1   LEU  122 - HA    GLN  107  far    0    51   0   -  6.8-8.0
      QD1   LEU  122 - HA    ARG  108  far    0    92   0   -  7.9-8.6
      QG2   ILE  100 - HA    ARG  108  far    0    90   0   -  8.3-8.8
      QD2   LEU  122 - HA    GLN  107  far    0    49   0   -  9.0-10.3
      QG2   ILE  100 - HA    GLN  107  far    0    49   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3635 from c13no.peaks (4.32, 3.27, 43.48 ppm; 3.81 A):
    1 out of 3 assignments used, quality = 0.86:
      HA    ARG  108 + HD2   ARG  108  OK    86   100 100  86  2.0-3.8   1273/1.8=66, 1274=59
      HA    GLN  107 - HD2   ARG  108  far    0    97   0   -  5.1-6.9
      HB2   SER  111 - HD2   ARG  108  far    0    99   0   -  9.6-13.2
    Violated in 2 structures by 0.00 A.
 
    Peak 3636 from c13no.peaks (4.32, 3.15, 43.48 ppm; 4.24 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    ARG  108 + HD3   ARG  108  OK   100   100 100 100  2.0-3.1   1273=100, 3635/1.8=87, 3617/3640=52
      HA    GLN  107 - HD3   ARG  108  far    0    97   0   -  5.8-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3637 from c13no.peaks (4.00, 3.15, 43.48 ppm; 3.98 A):
    1 out of 1 assignment used, quality = 0.71:
      HA    GLN  105 + HD3   ARG  108  OK    71    73 100  96  2.0-2.8   3638/1.8=76, 3632/2.5=54, 4.3/3640=39, 517/519=25
    Violated in 0 structures by 0.00 A.
 
    Peak 3638 from c13no.peaks (4.00, 3.27, 43.48 ppm; 3.96 A increased from 3.52 A):
    1 out of 3 assignments used, quality = 0.67:
      HA    GLN  105 + HD2   ARG  108  OK    67    73 100  91  2.8-3.8   3637/1.8=75, 3632/2.5=53, 500/6.2=23
      HB3   SER  111 - HD2   ARG  108  far    0   100   0   -  8.6-12.0
      HA    PRO  112 - HD2   ARG  108  far    0    87   0   -  9.7-12.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3639 from c13no.peaks (0.88, 3.27, 43.48 ppm; 3.21 A):
    0 out of 3 assignments used, quality = 0.00:
      QQG   VAL  104 + HD2   ARG  108  far    0    96   0   -  4.0-5.2
      QD1   LEU  122 + HD2   ARG  108  far    0    92   0   -  8.8-10.2
      QG2   ILE  100 + HD2   ARG  108  far    0    90   0   -  9.0-10.2
    Violated in 20 structures by 1.27 A.
 
    Peak 3640 from c13no.peaks (0.88, 3.15, 43.48 ppm; 4.39 A increased from 3.70 A):
    1 out of 3 assignments used, quality = 0.90:
      QQG   VAL  104 + HD3   ARG  108  OK    90    96 100  95  3.6-4.4   3629/2.5=59, 3634/1273=58, 4.3/3637=52, 7.3/519=18...(6)
      QD1   LEU  122 - HD3   ARG  108  far    0    92   0   -  8.3-9.5
      QG2   ILE  100 - HD3   ARG  108  far    0    90   0   -  8.4-9.4
    Violated in 1 structures by 0.00 A.
 
    Peak 3641 from c13no.peaks (3.15, 1.71, 28.93 ppm; 3.76 A):
    1 out of 1 assignment used, quality = 1.00:
      HD3   ARG  108 + HB3   ARG  108  OK   100   100 100 100  2.7-3.8   3.5=100
    Violated in 2 structures by 0.00 A.
 
    Peak 3642 from c13no.peaks (3.27, 1.71, 28.93 ppm; 3.76 A):
    1 out of 2 assignments used, quality = 0.87:
      HD2   ARG  108 + HB3   ARG  108  OK    87   100  88 100  2.1-4.2   3.5=100
      QD    ARG  103 - HB3   ARG  108  far    0    76   0   -  9.4-11.1
    Violated in 4 structures by 0.08 A.
 
    Peak 3643 from c13no.peaks (3.15, 1.76, 28.93 ppm; 3.47 A):
    1 out of 2 assignments used, quality = 0.64:
      HD3   ARG   70 + HG2   ARG   70  OK    64    64 100 100  2.2-2.2   3.0=100
      HD3   ARG  108 - HB2   ARG  108  far   15   100  15   -  2.3-4.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3644 from c13no.peaks (3.27, 1.76, 28.93 ppm; 3.63 A):
    1 out of 3 assignments used, quality = 1.00:
      HD2   ARG  108 + HB2   ARG  108  OK   100   100 100 100  2.5-3.6   3.5=100
      HB2   PHE   47 - HG2   ARG   70  far    0    79   0   -  9.2-10.8
      QD    ARG  103 - HB2   ARG  108  far    0    60   0   -  9.4-11.0
    Violated in 1 structures by 0.00 A.
 
    Peak 3645 from c13no.peaks (0.88, 1.71, 28.93 ppm; 3.80 A):
    0 out of 3 assignments used, quality = 0.00:
      QQG   VAL  104 + HB3   ARG  108  far    0    96   0   -  5.1-5.6
      QD1   LEU  122 + HB3   ARG  108  far    0    92   0   -  9.1-10.4
      QG2   ILE  100 + HB3   ARG  108  far    0    90   0   -  9.9-10.9
    Violated in 20 structures by 1.51 A.
 
    Peak 3646 from c13no.peaks (0.89, 1.76, 28.93 ppm; 3.66 A):
    0 out of 8 assignments used, quality = 0.00:
      QQG   VAL  104 + HB2   ARG  108  far    0    85   0   -  5.1-5.6
      QD2   LEU  118 + HB2   ARG  108  far    0    73   0   -  6.3-6.9
      QG2   VAL   77 + HG2   ARG   70  far    0    78   0   -  8.2-9.8
      QD1   LEU  122 + HB2   ARG  108  far    0    78   0   -  9.2-10.3
      QG1   VAL   88 + HG2   ARG   70  far    0    66   0   -  9.5-10.6
      QG1   VAL   77 + HG2   ARG   70  far    0    72   0   -  9.7-11.4
      QG2   ILE  100 + HB2   ARG  108  far    0    98   0   -  9.9-10.8
    Violated in 20 structures by 0.91 A.
 
    Peak 3647 from c13no.peaks (4.32, 1.71, 28.93 ppm; 4.36 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    ARG  108 + HB3   ARG  108  OK   100   100 100 100  2.4-3.0   3.0=100
      HA    GLN  107 - HB3   ARG  108  poor  15    97  33  47  4.1-6.0   6.2=34, 508/8.9=10, 504/8.9=10
      HB2   SER  111 - HB3   ARG  108  far    0    99   0   -  9.7-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3648 from c13no.peaks (4.32, 1.76, 28.93 ppm; 4.26 A):
    1 out of 2 assignments used, quality = 1.00:
      HA    ARG  108 + HB2   ARG  108  OK   100   100 100 100  2.4-3.0   3.0=100
      HA    GLN  107 - HB2   ARG  108  poor  19    97  20   -  4.1-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3649 from c13no.peaks (8.01, 1.53, 26.01 ppm; 5.15 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG  108 + QG    ARG  108  OK    99    99 100 100  2.7-4.3   4.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3650 from c13no.peaks (8.35, 1.53, 26.01 ppm; 3.84 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3652 from c13no.peaks (8.34, 3.15, 43.48 ppm; 4.42 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3653 from c13no.peaks (7.99, 3.15, 43.48 ppm; 4.95 A):
    0 out of 1 assignment used, quality = 0.00:
      H     VAL  104 + HD3   ARG  108  far    0    85   0   -  6.9-8.0
    Violated in 20 structures by 2.25 A.
 
    Peak 3654 from c13no.peaks (7.38, 3.15, 43.48 ppm; 5.17 A):
    0 out of 1 assignment used, quality = 0.00:
      H     ARG  103 + HD3   ARG  108  far    0    68   0   -  8.5-9.5
    Violated in 20 structures by 3.66 A.
 
    Peak 3655 from c13no.peaks (8.35, 3.27, 43.48 ppm; 4.22 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3656 from c13no.peaks (7.99, 3.27, 43.48 ppm; 4.65 A):
    0 out of 1 assignment used, quality = 0.00:
      H     VAL  104 + HD2   ARG  108  far    0    85   0   -  7.3-8.7
    Violated in 20 structures by 3.68 A.
 
    Peak 3657 from c13no.peaks (7.37, 3.27, 43.48 ppm; 4.34 A):
    0 out of 1 assignment used, quality = 0.00:
      H     ARG  103 + HD2   ARG  108  far    0    98   0   -  9.0-10.3
    Violated in 20 structures by 5.74 A.
 
    Peak 3658 from c13no.peaks (8.35, 1.71, 28.93 ppm; 4.68 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3659 from c13no.peaks (8.35, 1.76, 28.93 ppm; 4.60 A):
    1 out of 1 assignment used, quality = 0.78:
      H     ARG   74 + HG2   ARG   70  OK    78    79 100  98  3.6-4.1   314/3.8=66, 2604/1.8=54, 2605/3.0=50, 2606/3.0=49...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3660 from c13no.peaks (8.36, 4.32, 55.46 ppm; 3.77 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3661 from c13no.peaks (8.02, 4.32, 55.46 ppm; 4.10 A):
    2 out of 3 assignments used, quality = 1.00:
      H     ARG  108 + HA    ARG  108  OK   100   100 100 100  2.3-2.3   3.0=100
      H     ARG  108 + HA    GLN  107  OK    61    61 100 100  3.4-3.6   3.6=100
      H     CYS   49 - HA    GLN  407  far    0    57   0   - 10.0-58.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3662 from c13no.peaks (7.79, 4.32, 55.46 ppm; 3.74 A):
    1 out of 1 assignment used, quality = 0.74:
      H     ALA   61 + HA    ALA   61  OK    74    74 100 100  2.7-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3663 from c13no.peaks (7.29, 4.32, 55.46 ppm; 4.18 A):
    1 out of 1 assignment used, quality = 0.74:
      QE    PHE   50 + HA    ALA   61  OK    74    74 100 100  2.9-3.2   71=100, 266/2.1=90, 264/2330=48, ~277=46...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 3664 from c13no.peaks (8.12, 4.32, 55.46 ppm; 3.99 A):
    2 out of 5 assignments used, quality = 0.93:
      H     LEU   62 + HA    ALA   61  OK    74    74 100 100  3.5-3.6   3.6=100
      H     GLN   64 + HA    ALA   61  OK    71    74 100  97  3.3-3.7   908/2349=52, 909/2330=51, 907/2329=40, 201/207=40...(10)
      H     LEU   45 - HA    GLN  407  far    0    53   0   -  9.6-53.4
      H     LEU   93 - HA    ARG  108  far    0    97   0   -  9.7-10.2
      H     LEU   93 - HA    ALA   61  far    0    70   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3665 from c13no.peaks (8.61, 4.32, 55.46 ppm; 4.72 A):
    1 out of 2 assignments used, quality = 0.63:
      H     LEU   65 + HA    ALA   61  OK    63    63 100 100  3.9-4.5   207=84, 931/2330=57, 5.5/2349=44, 203/5.3=43...(11)
      H     CYS   69 - HA    ALA   61  far    0    46   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3666 from c13no.peaks (4.46, 3.60, 50.60 ppm; 4.90 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO  109 + HD3   PRO  109  OK   100   100 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3667 from c13no.peaks (4.47, 3.66, 50.60 ppm; 4.90 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    PRO  109 + HD2   PRO  109  OK    99    99 100 100  4.1-4.1   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3668 from c13no.peaks (1.76, 3.60, 50.60 ppm; 3.79 A):
    1 out of 4 assignments used, quality = 0.93:
      HG3   PRO  109 + HD3   PRO  109  OK    93    93 100 100  2.3-3.0   2.3=100
      HB2   ARG  108 - HD3   PRO  109  far    0   100   0   -  4.9-5.1
      HG3   ARG  103 - HD3   PRO  109  far    0    85   0   -  7.1-10.5
      QB    ARG   48 - HD3   PRO  409  far    0    83   0   -  9.7-40.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3669 from c13no.peaks (1.77, 3.66, 50.60 ppm; 3.74 A):
    1 out of 3 assignments used, quality = 0.81:
      HG3   PRO  109 + HD2   PRO  109  OK    81    81 100 100  2.3-2.7   2.3=100
      HB2   ARG  108 - HD2   PRO  109  far    0    99   0   -  3.9-4.8
      HG3   ARG  103 - HD2   PRO  109  far    0    68   0   -  8.4-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3670 from c13no.peaks (0.91, 3.60, 50.60 ppm; 3.74 A):
    2 out of 5 assignments used, quality = 1.00:
      QD2   LEU  118 + HD3   PRO  109  OK    99   100 100  99  3.0-3.4   3689/3.0=70, 3685/3.0=57, 3939/1.8=44, ~3940=41...(16)
      QD1   LEU  118 + HD3   PRO  109  OK    81    83 100  98  2.4-2.6   3940/1.8=52, ~3689=36, ~3939=33, ~3685=32...(17)
      QD1   LEU   93 - HD3   PRO  109  far    0    76   0   -  3.9-4.4
      QG2   ILE  100 - HD3   PRO  109  far    0    96   0   -  6.8-7.2
      HB3   LEU   96 - HD3   PRO  109  far    0    99   0   -  9.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3671 from c13no.peaks (1.41, 3.60, 50.60 ppm; 4.97 A):
    1 out of 2 assignments used, quality = 0.99:
      QB    ALA  115 + HD3   PRO  109  OK    99    99 100 100  3.8-4.1   1685/2.3=97, 1682/2.3=95, 1686/1.8=90, 1683/3.0=90...(17)
      HB3   LEU   45 - HD3   PRO  409  far    0    81   0   -  8.7-52.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3672 from c13no.peaks (2.11, 3.60, 50.60 ppm; 3.88 A):
    1 out of 4 assignments used, quality = 1.00:
      HG2   PRO  109 + HD3   PRO  109  OK   100   100 100 100  2.3-3.0   2.3=100
      QB    GLU  114 - HD3   PRO  109  far    0   100   0   -  4.8-5.1
      HB2   LEU  118 - HD3   PRO  109  far    0    96   0   -  5.3-5.7
      QB    GLN  105 - HD3   PRO  109  far    0    93   0   -  6.3-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3673 from c13no.peaks (4.14, 3.60, 50.60 ppm; 3.68 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    ALA  102 + HD3   PRO  109  far    0    99   0   -  9.1-9.7
      HD2   PRO  112 + HD3   PRO  109  far    0    99   0   -  9.7-9.9
    Violated in 20 structures by 4.94 A.
 
    Peak 3674 from c13no.peaks (1.41, 3.66, 50.60 ppm; 5.02 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    ALA  115 + HD2   PRO  109  OK    99    99 100 100  3.8-4.2   1685/2.3=97, 1682/2.3=96, 1686=93, 1683/3.0=91...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 3675 from c13no.peaks (0.91, 3.66, 50.60 ppm; 3.70 A):
    2 out of 6 assignments used, quality = 0.78:
      QD1   LEU   93 + HD2   PRO  109  OK    70    76 100  92  2.8-3.3   3270/2.3=54, 3275/1.8=43, ~3276=40, ~3266=38...(7)
      QD1   LEU  118 + HD2   PRO  109  OK    28    83  35  98  3.7-3.9   3940=45, ~3689=35, 3670/1.8=32, 2.1/3939=32...(17)
      QD2   LEU  118 - HD2   PRO  109  far    0   100   0   -  4.3-4.7
      QG2   ILE  100 - HD2   PRO  109  far    0    96   0   -  7.4-7.9
      HB3   LEU   96 - HD2   PRO  109  far    0    99   0   -  9.4-10.2
      QG1   VAL   88 - HD2   PRO  109  far    0   100   0   -  9.8-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3676 from c13no.peaks (2.11, 3.66, 50.60 ppm; 3.61 A):
    1 out of 4 assignments used, quality = 1.00:
      HG2   PRO  109 + HD2   PRO  109  OK   100   100 100 100  2.3-2.7   2.3=100
      QB    GLU  114 - HD2   PRO  109  far    0   100   0   -  5.3-5.5
      QB    GLN  105 - HD2   PRO  109  far    0    93   0   -  6.1-6.9
      HB2   LEU  118 - HD2   PRO  109  far    0    96   0   -  7.0-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3677 from c13no.peaks (3.60, 3.66, 50.60 ppm; 2.93 A):
    1 out of 1 assignment used, quality = 1.00:
      HD3   PRO  109 + HD2   PRO  109  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3678 from c13no.peaks (3.67, 3.60, 50.60 ppm; 2.83 A):
    1 out of 1 assignment used, quality = 1.00:
      HD2   PRO  109 + HD3   PRO  109  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3679 from c13no.peaks (4.14, 3.66, 50.60 ppm; 3.56 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    ALA  102 + HD2   PRO  109  far    0    99   0   -  9.1-9.8
      HD2   PRO  112 + HD2   PRO  109  far    0    99   0   -  9.1-9.4
    Violated in 20 structures by 4.83 A.
 
    Peak 3680 from c13no.peaks (2.11, 1.75, 28.28 ppm; 3.26 A):
    1 out of 6 assignments used, quality = 1.00:
      HG2   PRO  109 + HG3   PRO  109  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    GLU  114 - HG3   PRO  109  far    0   100   0   -  3.7-4.0
      HB2   LEU  118 - HG3   PRO  109  far    0    96   0   -  5.6-7.5
      QB    GLN  105 - HG3   PRO  109  far    0    93   0   -  7.8-8.7
      HB2   PRO  112 - HG3   PRO  109  far    0    97   0   -  7.9-8.5
      QB    GLU   85 - HG3   PRO  109  far    0    93   0   -  8.5-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3681 from c13no.peaks (0.91, 1.75, 28.28 ppm; 3.51 A):
    3 out of 7 assignments used, quality = 0.91:
      QD1   LEU   93 + HG3   PRO  109  OK    75    76 100  98  2.5-3.4   3270=76, 2.1/3266=62, 3675/2.3=43, 3275/2.3=35...(9)
      QD2   LEU  118 + HG3   PRO  109  OK    45   100  45 100  2.7-4.2   3689/2.3=75, 3685/2.3=60, 3939/2.3=36, 3937/3887=34...(16)
      QD1   LEU  118 + HG3   PRO  109  OK    36    83  45  97  2.3-4.1   3940/2.3=42, ~3689=40, ~3685=35, 3942/3887=34...(14)
      QG2   ILE  100 - HG3   PRO  109  far    0    96   0   -  6.6-8.0
      QG1   VAL   88 - HG3   PRO  109  far    0   100   0   -  8.0-8.8
      HB3   LEU   96 - HG3   PRO  109  far    0    99   0   -  9.1-10.3
      QD2   LEU   86 - HG3   PRO  109  far    0    78   0   -  9.7-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3682 from c13no.peaks (4.47, 1.75, 28.28 ppm; 4.54 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    PRO  109 + HG3   PRO  109  OK    99    99 100 100  3.9-4.0   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3683 from c13no.peaks (3.67, 1.75, 28.28 ppm; 3.85 A):
    1 out of 1 assignment used, quality = 1.00:
      HD2   PRO  109 + HG3   PRO  109  OK   100   100 100 100  2.3-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3684 from c13no.peaks (3.60, 1.75, 28.28 ppm; 3.92 A):
    1 out of 1 assignment used, quality = 1.00:
      HD3   PRO  109 + HG3   PRO  109  OK   100   100 100 100  2.3-3.0   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3685 from c13no.peaks (0.90, 1.89, 32.18 ppm; 3.64 A):
    1 out of 5 assignments used, quality = 0.97:
      QD2   LEU  118 + HB3   PRO  109  OK    97    97 100 100  3.1-3.4   3689/1.8=90, 1286/1283=40, 3939/3.0=35, 3670/3.0=29...(17)
      QD1   LEU  118 - HB3   PRO  109  far    0    65   0   -  4.2-4.4
      QG1   VAL   88 - HB3   PRO  109  far    0   100   0   -  8.1-8.6
      QG2   ILE  100 - HB3   PRO  109  far    0   100   0   -  8.5-8.9
      QD2   LEU   86 - HB3   PRO  109  far    0    92   0   -  9.7-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3686 from c13no.peaks (1.41, 1.89, 32.18 ppm; 4.01 A):
    1 out of 2 assignments used, quality = 0.99:
      QB    ALA  115 + HB3   PRO  109  OK    99    99 100 100  2.9-3.3   1685/2.3=79, 1682/2.3=76, 1683=73, 2.9/1283=66...(14)
      HG    LEU   62 - HB3   PRO  109  far    0    87   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3687 from c13no.peaks (4.46, 1.89, 32.18 ppm; 3.92 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO  109 + HB3   PRO  109  OK   100   100 100 100  2.7-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3688 from c13no.peaks (3.21, 1.89, 32.18 ppm; 4.73 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3689 from c13no.peaks (0.90, 1.99, 32.18 ppm; 2.92 A):
    1 out of 11 assignments used, quality = 0.91:
      QD2   LEU  118 + HB2   PRO  109  OK    91    97 100  93  1.9-2.1   3685/1.8=47, 3917/3704=24, 3939/3.0=20, 3670/3.0=18...(17)
      QD1   LEU  118 - HB2   PRO  109  far    3    65   5   -  2.9-3.3
      QD1   ILE  100 - HB3   PRO  126  far    0    66   0   -  7.2-13.0
      QG2   ILE  100 - HB2   PRO  109  far    0   100   0   -  7.8-8.3
      QG2   ILE  100 - HB3   PRO  126  far    0    97   0   -  8.4-15.1
      QD1   LEU  118 - HB3   PRO  126  far    0    61   0   -  8.6-16.9
      QG1   VAL   77 - HB3   PRO  426  far    0    98   0   -  8.8-30.1
      QG2   VAL   77 - HB3   PRO  426  far    0    80   0   -  8.9-31.3
      QG1   VAL   88 - HB2   PRO  109  far    0   100   0   -  9.2-9.7
      QD2   LEU  118 - HB3   PRO  126  far    0    94   0   -  9.2-18.3
      QD1   ILE  100 - HB2   PRO  109  far    0    71   0   -  9.4-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3690 from c13no.peaks (1.79, 1.99, 32.18 ppm; 3.28 A):
    0 out of 3 assignments used, quality = 0.00:
      HB3   ARG  124 + HB3   PRO  126  far    0    95   0   -  4.0-10.4
      HB2   ARG  108 + HB2   PRO  109  far    0    68   0   -  6.5-7.0
      QB    ARG   48 + HB2   PRO  409  far    0    99   0   -  8.2-42.9
    Violated in 20 structures by 3.02 A.
 
    Peak 3691 from c13no.peaks (4.17, 1.89, 32.18 ppm; 4.99 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    LEU  118 + HB3   PRO  109  far    0    68   0   -  8.2-8.6
    Violated in 20 structures by 3.43 A.
 
    Peak 3692 from c13no.peaks (4.17, 1.99, 32.18 ppm; 3.77 A):
    0 out of 3 assignments used, quality = 0.00:
      HA    LEU  118 + HB2   PRO  109  far    0    83   0   -  6.7-7.1
      HA    LEU  118 + HB3   PRO  126  far    0    78   0   -  7.5-18.5
      HA    ARG  103 + HB3   PRO  126  far    0    94   0   -  9.2-20.5
    Violated in 20 structures by 3.06 A.
 
    Peak 3693 from c13no.peaks (8.93, 4.46, 62.99 ppm; 3.71 A increased from 3.30 A):
    1 out of 2 assignments used, quality = 0.97:
      H     GLY  110 + HA    PRO  109  OK    97    97 100 100  3.6-3.6   3.6=100
      H     GLU  113 - HA    PRO  109  far    0   100   0   -  8.2-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3694 from c13no.peaks (8.94, 1.89, 32.18 ppm; 4.99 A):
    1 out of 2 assignments used, quality = 0.85:
      H     GLY  110 + HB3   PRO  109  OK    85    85 100 100  2.9-3.1   3.9=100
      H     GLU  113 - HB3   PRO  109  far    0    98   0   -  5.8-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3695 from c13no.peaks (8.93, 1.99, 32.18 ppm; 5.09 A):
    1 out of 2 assignments used, quality = 0.97:
      H     GLY  110 + HB2   PRO  109  OK    97    97 100 100  3.9-4.0   3.9=100
      H     GLU  113 - HB2   PRO  109  far    0   100   0   -  7.1-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3698 from c13no.peaks (7.97, 1.75, 28.28 ppm; 4.92 A):
    1 out of 3 assignments used, quality = 0.78:
      H     ALA  115 + HG3   PRO  109  OK    78    78 100 100  3.2-3.8   3704/2.3=91, 2.9/1682=88, 2.9/3887=81, 3701/2.3=80...(18)
      H     VAL  104 - HG3   PRO  109  far    0   100   0   -  6.8-8.4
      H     GLY  121 - HG3   PRO  109  far    0   100   0   -  9.7-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3699 from c13no.peaks (7.98, 2.10, 28.28 ppm; 4.42 A):
    0 out of 4 assignments used, quality = 0.00:
      H     VAL  104 + HG2   PRO  109  far    0    97   0   -  6.8-8.4
      H     VAL  104 + HG3   PRO   97  far    0    95   0   -  7.2-9.0
      H     ARG  124 + HG3   PRO   97  far    0    69   0   -  8.3-11.6
      H     GLY  121 + HG2   PRO  109  far    0    97   0   -  9.6-11.6
    Violated in 20 structures by 2.38 A.
 
    Peak 3700 from c13no.peaks (7.46, 1.89, 32.18 ppm; 4.95 A):
    1 out of 3 assignments used, quality = 1.00:
      H     SER  111 + HB3   PRO  109  OK   100   100 100 100  2.2-2.2   1261=100, 553/2.3=85, 1262/2.3=82, 3702/1.8=80...(13)
      HE21  GLN  107 - HB3   PRO  109  far    0    65   0   -  7.7-8.2
      H     GLN  107 - HB3   PRO  109  far    0   100   0   -  8.1-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3701 from c13no.peaks (7.96, 1.89, 32.18 ppm; 4.43 A):
    1 out of 2 assignments used, quality = 0.95:
      H     ALA  115 + HB3   PRO  109  OK    95    95 100 100  2.6-2.8   3704/1.8=93, 1283=89, 2.9/3686=71, 3917/3685=59...(16)
      H     VAL  104 - HB3   PRO  109  far    0    99   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3702 from c13no.peaks (7.46, 1.99, 32.18 ppm; 4.94 A):
    1 out of 4 assignments used, quality = 1.00:
      H     SER  111 + HB2   PRO  109  OK   100   100 100 100  3.9-4.0   1261/1.8=97, 553/2.3=85, 1262/2.3=82, 537/3.9=79...(12)
      HE21  GLN  107 - HB2   PRO  109  far    0    65   0   -  6.1-6.7
      H     GLN  107 - HB2   PRO  109  far    0   100   0   -  6.8-7.2
      HE21  GLN  107 - HB3   PRO  126  far    0    61   0   -  8.7-20.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3703 from c13no.peaks (7.96, 1.89, 32.18 ppm; 4.43 A):
    1 out of 2 assignments used, quality = 0.95:
      H     ALA  115 + HB3   PRO  109  OK    95    95 100 100  2.6-2.8   3704/1.8=93, 1283=89, 2.9/3686=71, 3917/3685=59...(16)
      H     VAL  104 - HB3   PRO  109  far    0    99   0   -  9.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3704 from c13no.peaks (7.96, 1.99, 32.18 ppm; 3.67 A):
    1 out of 6 assignments used, quality = 0.94:
      H     ALA  115 + HB2   PRO  109  OK    94    95 100 100  3.3-3.5   1283/1.8=74, 3917/3689=48, 2.9/1684=44, 1282/477=40...(17)
      H     GLY  128 - HB3   PRO  126  far    0    78   0   -  4.1-5.9
      H     GLY  121 - HB3   PRO  126  far    0    97   0   -  6.4-16.0
      H     VAL  104 - HB2   PRO  109  far    0    99   0   -  8.2-8.7
      H     GLY  121 - HB2   PRO  109  far    0    99   0   -  9.4-9.6
      H     GLU   41 - HB3   PRO  426  far    0    98   0   -  9.8-51.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3706 from c13no.peaks (8.02, 3.66, 50.60 ppm; 4.56 A):
    1 out of 1 assignment used, quality = 0.96:
      H     ARG  108 + HD2   PRO  109  OK    96   100 100  96  3.2-3.5   4.8=85, 1247/2.3=52, 487/7.9=19, 1251/3940=15
    Violated in 0 structures by 0.00 A.
 
    Peak 3707 from c13no.peaks (7.47, 3.66, 50.60 ppm; 5.50 A):
    2 out of 3 assignments used, quality = 0.98:
      H     SER  111 + HD2   PRO  109  OK    95    95 100 100  4.7-4.9   1261/3.0=88, 1262/2.3=88, 3702/3.0=77, 553/3.6=76...(11)
      H     GLN  107 + HD2   PRO  109  OK    70   100  70 100  5.3-5.7   529/1.8=93, 491/3706=78, ~3616=59, 7.9=33...(6)
      HE21  GLN  107 - HD2   PRO  109  far    0    85   0   -  5.8-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3708 from c13no.peaks (7.47, 3.60, 50.60 ppm; 5.50 A):
    3 out of 3 assignments used, quality = 1.00:
      H     GLN  107 + HD3   PRO  109  OK   100   100 100 100  4.4-4.7   529=97, 491/4.8=75, 3.2/3616=58, 3707/1.8=35...(7)
      H     SER  111 + HD3   PRO  109  OK    95    95 100 100  5.3-5.5   1261/3.0=88, 1262/2.3=88, 3702/3.0=77, 553/3.6=76...(11)
      HE21  GLN  107 + HD3   PRO  109  OK    80    85 100  94  4.5-5.1   4.0/3616=51, 6.7/529=40, 3915/3670=37, 508/6.8=34...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 3709 from c13no.peaks (8.02, 3.60, 50.60 ppm; 4.83 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG  108 + HD3   PRO  109  OK   100   100 100 100  2.6-2.9   4.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3711 from c13no.peaks (4.46, 3.82, 45.43 ppm; 4.70 A increased from 4.17 A):
    1 out of 1 assignment used, quality = 0.93:
      HA    PRO  109 + HA3   GLY  110  OK    93   100 100  93  4.6-4.6   5.3=68, 553/3.5=59, 473/3712=31, 3.8/3712=16
    Violated in 0 structures by 0.00 A.
 
    Peak 3712 from c13no.peaks (2.10, 3.82, 45.43 ppm; 5.31 A):
    2 out of 4 assignments used, quality = 0.92:
      QB    GLU  114 + HA3   GLY  110  OK    86    89  98  99  5.0-5.3   3857/3.5=78, 473/3711=67, ~1252=44, 3738/5.9=43...(7)
      HG2   PRO  109 + HA3   GLY  110  OK    44    98  45 100  4.7-6.3   1254/3.0=85, 6.0=71, 3.8/3711=69, ~1256=58...(6)
      QB    GLU   85 - HA3   GLY  110  far    0    68   0   -  7.3-8.4
      HB2   PRO  112 - HA3   GLY  110  far    0   100   0   -  9.8-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3713 from c13no.peaks (0.80, 3.82, 45.43 ppm; 4.69 A):
    1 out of 2 assignments used, quality = 0.89:
      QD1   LEU   89 + HA3   GLY  110  OK    89    93  98  98  3.7-4.6   3715/1.8=77, 1264/3.5=62, 3737/5.3=46, 1258/3.0=39...(6)
      QD2   LEU   93 - HA3   GLY  110  far    0   100   0   -  6.8-7.8
    Violated in 8 structures by 0.03 A.
 
    Peak 3714 from c13no.peaks (1.89, 3.82, 45.43 ppm; 5.50 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   PRO  109 + HA3   GLY  110  OK   100   100 100 100  4.6-4.7   5.1=100
      HB3   PRO  112 - HA3   GLY  110  far    0    89   0   -  9.0-9.2
      HB3   GLU  113 - HA3   GLY  110  far    0    65   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3715 from c13no.peaks (0.80, 4.28, 45.43 ppm; 4.76 A):
    1 out of 2 assignments used, quality = 0.92:
      QD1   LEU   89 + HA2   GLY  110  OK    92    93 100  99  2.6-3.5   3713/1.8=81, 1264/3.5=64, 3737/5.3=47, 1258/3.0=40...(6)
      QD2   LEU   93 - HA2   GLY  110  far    0   100   0   -  5.7-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3716 from c13no.peaks (4.27, 4.28, 45.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 0.99:
      HA2   GLY  110 + HA2   GLY  110  OK    99    99   - 100
 
    Peak 3717 from c13no.peaks (7.45, 3.82, 45.43 ppm; 4.25 A):
    1 out of 2 assignments used, quality = 0.99:
      H     SER  111 + HA3   GLY  110  OK    99    99 100 100  3.2-3.3   3.5=100
      H     GLN  107 - HA3   GLY  110  far    0    92   0   -  9.8-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3718 from c13no.peaks (8.92, 3.82, 45.43 ppm; 3.59 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLY  110 + HA3   GLY  110  OK   100   100 100 100  2.9-2.9   3.0=100
      H     GLU  113 - HA3   GLY  110  far    0    99   0   -  8.0-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3719 from c13no.peaks (7.45, 4.28, 45.43 ppm; 4.24 A):
    1 out of 2 assignments used, quality = 0.99:
      H     SER  111 + HA2   GLY  110  OK    99    99 100 100  3.2-3.4   3.5=100
      H     GLN  107 - HA2   GLY  110  far    0    92   0   -  9.5-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3720 from c13no.peaks (8.93, 4.28, 45.43 ppm; 3.67 A):
    1 out of 2 assignments used, quality = 0.96:
      H     GLY  110 + HA2   GLY  110  OK    96    96 100 100  2.3-2.4   3.0=100
      H     GLU  113 - HA2   GLY  110  far    0   100   0   -  8.1-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3721 from c13no.peaks (4.31, 3.99, 64.83 ppm; 3.30 A):
    1 out of 3 assignments used, quality = 1.00:
      HB2   SER  111 + HB3   SER  111  OK   100   100 100 100  1.8-1.8   1.8=100
      HA2   GLY  110 - HB3   SER  111  far    0    60   0   -  5.1-5.4
      HA    ARG  108 - HB3   SER  111  far    0    99   0   -  8.4-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3722 from c13no.peaks (3.84, 3.99, 64.83 ppm; 4.61 A increased from 3.88 A):
    1 out of 2 assignments used, quality = 0.73:
      HA3   GLY  110 + HB3   SER  111  OK    73    76 100  97  4.3-4.6   3.5/557=70, 5.9=48, 5.1/3739=40, ~559=32...(7)
      HA    GLU   81 - HB3   SER  111  far    0    98   0   -  9.5-11.3
    Violated in 1 structures by 0.00 A.
 
    Peak 3723 from c13no.peaks (5.02, 3.99, 64.83 ppm; 3.77 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    SER  111 + HB3   SER  111  OK   100   100 100 100  2.4-3.0   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3724 from c13no.peaks (7.46, 3.99, 64.83 ppm; 5.04 A):
    1 out of 1 assignment used, quality = 1.00:
      H     SER  111 + HB3   SER  111  OK   100   100 100 100  2.6-2.8   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3725 from c13no.peaks (8.93, 3.99, 64.83 ppm; 4.66 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU  113 + HB3   SER  111  OK   100   100 100 100  4.0-4.6   550/1.8=93, 545/2.9=67, 549/3733=66, 3816/4.6=39...(11)
      H     GLY  110 - HB3   SER  111  far    0    96   0   -  4.9-5.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3726 from c13no.peaks (5.02, 4.31, 64.83 ppm; 3.90 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    SER  111 + HB2   SER  111  OK   100   100 100 100  2.2-2.7   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3727 from c13no.peaks (4.00, 4.31, 64.83 ppm; 3.34 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   SER  111 + HB2   SER  111  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    PRO  112 - HB2   SER  111  far    0    90   0   -  4.7-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3728 from c13no.peaks (3.83, 4.31, 64.83 ppm; 4.03 A):
    1 out of 3 assignments used, quality = 0.60:
      HD3   PRO  112 + HB2   SER  111  OK    60    60 100 100  3.4-3.9   1.8/3734=76, 4.6=68, ~3733=53, 3730/2.9=52...(10)
      HA3   GLY  110 - HB2   SER  111  far    0    90   0   -  4.9-5.9
      HA    GLU   81 - HB2   SER  111  far    0   100   0   -  8.0-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3729 from c13no.peaks (4.31, 5.02, 55.78 ppm; 3.13 A):
    1 out of 3 assignments used, quality = 1.00:
      HB2   SER  111 + HA    SER  111  OK   100   100 100 100  2.2-2.7   2.9=100
      HA2   GLY  110 - HA    SER  111  far    0    60   0   -  4.4-4.5
      HA    ARG  108 - HA    SER  111  far    0    99   0   -  8.5-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3730 from c13no.peaks (3.82, 5.02, 55.78 ppm; 3.75 A):
    1 out of 4 assignments used, quality = 0.95:
      HD3   PRO  112 + HA    SER  111  OK    95    95 100 100  2.3-2.4   3.8=98, 1.8/3732=77, 3762/2.9=43, 2.3/3767=43...(13)
      HA3   GLY  110 - HA    SER  111  far    0   100   0   -  4.6-4.6
      HA    GLU  113 - HA    SER  111  far    0    81   0   -  6.9-7.1
      HA    GLU   81 - HA    SER  111  far    0    93   0   -  8.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3731 from c13no.peaks (3.99, 5.02, 55.78 ppm; 3.73 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   SER  111 + HA    SER  111  OK   100   100 100 100  2.4-3.0   2.9=100
      HA    PRO  112 - HA    SER  111  far    0    98   0   -  4.4-4.4
      HA    PHE   92 - HA    SER  111  far    0   100   0   - 10.0-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3732 from c13no.peaks (4.13, 5.02, 55.78 ppm; 3.61 A):
    1 out of 1 assignment used, quality = 1.00:
      HD2   PRO  112 + HA    SER  111  OK   100   100 100 100  2.4-2.5   3.8=88, 1.8/3730=69, 3733/2.9=48, 3734/2.9=48...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3733 from c13no.peaks (4.12, 3.99, 64.83 ppm; 3.97 A):
    1 out of 1 assignment used, quality = 0.99:
      HD2   PRO  112 + HB3   SER  111  OK    99    99 100 100  3.1-3.8   3763/1.8=69, 4.6=65, 3732/2.9=64, ~3728=51...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3734 from c13no.peaks (4.14, 4.31, 64.83 ppm; 4.00 A):
    1 out of 1 assignment used, quality = 0.99:
      HD2   PRO  112 + HB2   SER  111  OK    99    99 100 100  2.0-2.8   3763=87, 1.8/3728=75, 3732/2.9=65, 3733/1.8=61...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 3735 from c13no.peaks (7.46, 4.31, 64.83 ppm; 5.35 A):
    1 out of 1 assignment used, quality = 1.00:
      H     SER  111 + HB2   SER  111  OK   100   100 100 100  3.6-3.8   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3736 from c13no.peaks (8.93, 4.31, 64.83 ppm; 4.46 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLU  113 + HB2   SER  111  OK   100   100 100 100  2.6-4.1   550=100, 3725/1.8=73, 545/2.9=62, 549/3763=58...(10)
      H     GLY  110 - HB2   SER  111  far    0    96   0   -  5.9-6.3
      H     VAL   88 - HB2   SER  111  far    0    60   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3737 from c13no.peaks (0.80, 5.02, 55.78 ppm; 4.07 A increased from 3.83 A):
    1 out of 2 assignments used, quality = 0.91:
      QD1   LEU   89 + HA    SER  111  OK    91    92 100  99  2.0-3.9   3193=88, 1264/2.9=54, 3753/3.8=41, ~3199=33...(8)
      QD2   LEU   93 - HA    SER  111  far    0   100   0   -  6.2-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3738 from c13no.peaks (2.10, 3.99, 64.83 ppm; 5.19 A):
    1 out of 5 assignments used, quality = 0.91:
      QB    GLU  114 + HB3   SER  111  OK    91    95 100  97  2.6-3.2   3857/557=77, 6.1/3725=42, ~572=37, 3712/5.9=26...(7)
      QB    GLU   85 - HB3   SER  111  far   10    78  13   -  4.8-6.1
      HG2   PRO  109 - HB3   SER  111  far    0   100   0   -  5.4-6.4
      HB2   PRO  112 - HB3   SER  111  far    0   100   0   -  6.7-7.0
      HB2   LEU  118 - HB3   SER  111  far    0    83   0   -  9.8-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3739 from c13no.peaks (1.89, 3.99, 64.83 ppm; 4.81 A):
    1 out of 3 assignments used, quality = 0.87:
      HB3   PRO  109 + HB3   SER  111  OK    87    99  98  90  3.6-4.0   1261/557=69, 5.1/3722=46, 3740/1.8=42
      HB3   GLU  113 - HB3   SER  111  far    0    73   0   -  5.5-6.3
      HB3   PRO  112 - HB3   SER  111  far    0    93   0   -  6.6-6.9
    Violated in 1 structures by 0.01 A.
 
    Peak 3740 from c13no.peaks (1.87, 4.31, 64.83 ppm; 5.00 A):
    1 out of 2 assignments used, quality = 0.68:
      HB3   PRO  109 + HB2   SER  111  OK    68    92  88  84  4.5-5.3   1261/554=70, 3739/1.8=47
      QB    ARG   66 - HB2   SER  111  far    0    97   0   -  8.9-10.5
    Violated in 3 structures by 0.03 A.
 
    Peak 3741 from c13no.peaks (2.27, 3.98, 66.42 ppm; 5.46 A increased from 4.85 A):
    1 out of 5 assignments used, quality = 1.00:
      HB2   LEU   89 + HA    PRO  112  OK   100   100 100 100  4.7-5.5   3.1/3744=96, ~3795=57, 5.7/3743=54, ~3793=45...(6)
      HG3   GLU  114 - HA    PRO  112  far    0   100   0   -  5.8-7.0
      HG3   GLU   85 - HA    PRO  112  far    0    99   0   -  7.4-8.4
      HB    VAL  119 - HA    PRO  112  far    0   100   0   -  8.0-9.9
      HG2   PRO   58 - HA    PRO  112  far    0    99   0   -  9.5-10.1
    Violated in 2 structures by 0.00 A.
 
    Peak 3742 from c13no.peaks (1.40, 3.98, 66.42 ppm; 3.56 A):
    1 out of 2 assignments used, quality = 0.94:
      QB    ALA  115 + HA    PRO  112  OK    94   100 100  94  2.8-3.2   1680/3744=50, 2.9/3804=43, 3.7/3805=31, 1678/2289=28...(9)
      HG    LEU   62 - HA    PRO  112  far    0    99   0   -  4.4-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3743 from c13no.peaks (0.90, 3.98, 66.42 ppm; 4.37 A):
    1 out of 7 assignments used, quality = 1.00:
      QG1   VAL   88 + HA    PRO  112  OK   100   100 100 100  3.5-3.9   3796/2.3=80, 3794/2.3=79, 2262/2289=67, 3777/3.8=62...(10)
      QD1   LEU   93 - HA    PRO  112  far    8    60  13   -  4.3-5.5
      QD2   LEU  118 - HA    PRO  112  far    0    98   0   -  6.4-6.8
      QD1   LEU  118 - HA    PRO  112  far    0    68   0   -  6.5-6.9
      QD2   LEU   86 - HA    PRO  112  far    0    90   0   -  8.1-8.9
      QG2   ILE  100 - HA    PRO  112  far    0    99   0   -  8.4-9.0
      HB3   LEU   96 - HA    PRO  112  far    0    93   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3744 from c13no.peaks (0.75, 3.98, 66.42 ppm; 3.38 A):
    1 out of 4 assignments used, quality = 0.85:
      QD2   LEU   89 + HA    PRO  112  OK    85    90 100  94  1.8-2.5   3795/2.3=43, 1680/3742=42, 3793/2.3=31, 1287/3804=28...(10)
      QD1   LEU   65 - HA    PRO  112  far    0   100   0   -  5.4-6.4
      QD1   LEU   87 - HA    PRO  112  far    0    93   0   -  8.1-9.0
      QD1   LEU   84 - HA    PRO  112  far    0    93   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3745 from c13no.peaks (0.50, 3.98, 66.42 ppm; 4.48 A):
    1 out of 1 assignment used, quality = 0.85:
      QD1   LEU   62 + HA    PRO  112  OK    85    85 100 100  3.5-4.4   2.1/2289=84, 3792/2.3=81, 3791/2.3=65, ~2266=58...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 3746 from c13no.peaks (0.28, 3.98, 66.42 ppm; 4.33 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   62 + HA    PRO  112  OK   100   100 100 100  2.7-3.6   2289=96, 2266/2.3=86, 3751/2.3=71, 2.1/3745=70...(21)
    Violated in 0 structures by 0.00 A.
 
    Peak 3747 from c13no.peaks (0.28, 1.82, 28.60 ppm; 4.18 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + HG3   PRO  112  OK   100   100 100 100  2.9-4.1   2266/2.3=82, 2262/3777=67, 3751/2.3=66, 3749/1.8=58...(17)
      QD1   LEU   73 - HG3   PRO  112  far    0   100   0   -  8.7-9.7
    Violated in 1 structures by 0.00 A.
 
    Peak 3748 from c13no.peaks (0.50, 1.82, 28.60 ppm; 5.42 A increased from 4.57 A):
    1 out of 1 assignment used, quality = 0.85:
      QD1   LEU   62 + HG3   PRO  112  OK    85    85 100 100  3.0-5.4   2.1/3747=97, 3792/2.3=97, 3791/2.3=86, 3750/1.8=78...(16)
    Violated in 3 structures by 0.01 A.
 
    Peak 3749 from c13no.peaks (0.28, 2.54, 28.60 ppm; 4.88 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + HG2   PRO  112  OK   100   100 100 100  3.6-4.4   2266/2.3=95, 3747/1.8=93, 3751/2.3=84, 2262/3789=74...(17)
      QD1   LEU   73 - HG2   PRO  112  far    0   100   0   -  7.5-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3750 from c13no.peaks (0.49, 2.54, 28.60 ppm; 5.50 A increased from 5.09 A):
    1 out of 1 assignment used, quality = 0.48:
      QD1   LEU   62 + HG2   PRO  112  OK    48    96  50 100  4.0-6.0   3792/2.3=95, 2.1/3749=90, 3791/2.3=90, 3748/1.8=82...(16)
    Violated in 10 structures by 0.24 A.
 
    Peak 3751 from c13no.peaks (0.28, 1.91, 32.80 ppm; 4.32 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + HB3   PRO  112  OK   100   100 100 100  2.4-3.2   2266/1.8=93, 2289/2.3=82, 3747/2.3=73, 2265=67...(19)
      QD1   LEU   73 - HB3   PRO  112  far    0   100   0   -  8.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3752 from c13no.peaks (0.28, 2.10, 32.80 ppm; 3.96 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   62 + HB2   PRO  112  OK   100   100 100 100  1.7-2.2   2266=100, 2.1/2275=73, 2289/2.3=72, 3751/1.8=66...(19)
      HB3   ARG   44 - HB3   PRO   38  far    0    79   0   -  7.9-10.8
      QD1   LEU   73 - HB2   PRO  112  far    0   100   0   -  8.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3753 from c13no.peaks (0.79, 3.81, 51.57 ppm; 4.54 A):
    1 out of 2 assignments used, quality = 0.68:
      QD1   LEU   89 + HD3   PRO  112  OK    68    68 100 100  2.2-4.4   3737/3.8=57, 3775/1.8=55, 3.1/3758=53, 3.1/3754=52...(15)
      QD2   LEU   93 - HD3   PRO  112  far    0    99   0   -  6.4-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3754 from c13no.peaks (1.34, 3.81, 51.57 ppm; 5.16 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   89 + HD3   PRO  112  OK   100   100 100 100  1.8-2.3   1.8/3758=81, 3.1/3753=76, 3774/1.8=76, 3787/2.3=52...(11)
      HB3   LEU   62 - HD3   PRO  112  far    0    78   0   -  7.1-8.6
      HB3   LEU   86 - HD3   PRO  112  far    0   100   0   -  7.4-8.4
      HB3   LEU   65 - HD3   PRO  112  far    0    95   0   -  8.1-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3755 from c13no.peaks (1.83, 3.81, 51.57 ppm; 4.39 A):
    1 out of 5 assignments used, quality = 1.00:
      HG3   PRO  112 + HD3   PRO  112  OK   100   100 100 100  3.0-3.0   2.3=100
      HG    LEU   86 - HD3   PRO  112  far    0    81   0   -  6.6-8.6
      HG    LEU   84 - HD3   PRO  112  far    0    99   0   -  9.1-10.0
      HG2   GLN   91 - HD3   PRO  112  far    0    97   0   -  9.7-10.9
      HG    LEU   87 - HD3   PRO  112  far    0    87   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3756 from c13no.peaks (1.90, 3.81, 51.57 ppm; 4.52 A):
    1 out of 4 assignments used, quality = 0.98:
      HB3   PRO  112 + HD3   PRO  112  OK    98    98 100 100  3.0-3.0   3.0=100
      HB3   PRO  109 - HD3   PRO  112  far    0    95   0   -  6.6-6.7
      HB3   GLU  113 - HD3   PRO  112  far    0    85   0   -  7.1-7.4
      QB    ALA   61 - HD3   PRO  112  far    0    99   0   -  9.3-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3757 from c13no.peaks (2.53, 3.81, 51.57 ppm; 4.45 A):
    1 out of 1 assignment used, quality = 0.97:
      HG2   PRO  112 + HD3   PRO  112  OK    97    97 100 100  2.3-2.3   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3758 from c13no.peaks (2.29, 3.81, 51.57 ppm; 4.77 A):
    1 out of 3 assignments used, quality = 0.78:
      HB2   LEU   89 + HD3   PRO  112  OK    78    78 100 100  3.4-3.9   1.8/3754=70, 3.1/3753=68, ~3787=59, ~3774=52...(12)
      HG3   GLU   85 - HD3   PRO  112  lone   7    60  93  13  4.0-4.9   ~3784=13
      HG3   GLU  114 - HD3   PRO  112  far    0    87   0   -  5.8-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3759 from c13no.peaks (2.05, 3.81, 51.57 ppm; 4.32 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3760 from c13no.peaks (3.81, 4.13, 51.57 ppm; 3.62 A):
    1 out of 6 assignments used, quality = 1.00:
      HD3   PRO  112 + HD2   PRO  112  OK   100   100 100 100  1.8-1.8   1.8=100
      HA    GLU  113 - HD2   PRO  112  far    0    96   0   -  5.5-5.5
      HA    GLU   81 - HD2   PRO  112  far    0    76   0   -  6.6-8.0
      HA3   GLY  110 - HD2   PRO  112  far    0    98   0   -  6.8-6.9
      HA    LEU   62 - HD2   PRO  112  far    0    60   0   -  8.3-8.9
      HA    ARG   66 - HD2   PRO  112  far    0    97   0   -  9.0-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3761 from c13no.peaks (4.13, 3.81, 51.57 ppm; 3.65 A):
    1 out of 1 assignment used, quality = 1.00:
      HD2   PRO  112 + HD3   PRO  112  OK   100   100 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3762 from c13no.peaks (4.30, 3.81, 51.57 ppm; 4.45 A):
    1 out of 2 assignments used, quality = 0.98:
      HB2   SER  111 + HD3   PRO  112  OK    98    98 100 100  3.4-3.9   4.6=91, 3734/1.8=86, 2.9/3730=72, ~3733=64...(10)
      HA2   GLY  110 - HD3   PRO  112  far    0    83   0   -  6.3-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3763 from c13no.peaks (4.31, 4.13, 51.57 ppm; 4.18 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   SER  111 + HD2   PRO  112  OK   100   100 100 100  2.0-2.8   3734=99, 1.8/3733=80, 3728/1.8=80, 2.9/3732=72...(10)
      HA2   GLY  110 - HD2   PRO  112  far    0    65   0   -  6.9-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3764 from c13no.peaks (5.03, 3.81, 51.57 ppm; 3.93 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    SER  111 + HD3   PRO  112  OK    99    99 100 100  2.3-2.4   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3765 from c13no.peaks (5.02, 4.13, 51.57 ppm; 4.06 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    SER  111 + HD2   PRO  112  OK   100   100 100 100  2.4-2.5   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3766 from c13no.peaks (5.04, 1.82, 28.60 ppm; 4.93 A):
    1 out of 1 assignment used, quality = 0.90:
      HA    SER  111 + HG3   PRO  112  OK    90    90 100 100  4.5-4.6   3732/2.3=86, 3730/2.3=85, 3767/1.8=68, 5.7=65...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3767 from c13no.peaks (5.02, 2.54, 28.60 ppm; 4.86 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    SER  111 + HG2   PRO  112  OK   100   100 100 100  4.5-4.5   3732/2.3=95, 3730/2.3=93, 3766/1.8=65, 5.7=62...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3768 from c13no.peaks (3.98, 4.13, 51.57 ppm; 4.15 A):
    2 out of 4 assignments used, quality = 1.00:
      HA    PRO  112 + HD2   PRO  112  OK   100   100 100 100  4.1-4.1   3.6=100
      HB3   SER  111 + HD2   PRO  112  OK    97    97 100 100  3.1-3.8   3733=96, 1.8/3734=79, 2.9/3732=71, ~3728=56...(13)
      HA    GLN   59 - HD2   PRO  112  far    0    63   0   -  9.6-10.8
      HA    PHE   92 - HD2   PRO  112  far    0    98   0   -  9.6-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3769 from c13no.peaks (3.98, 3.81, 51.57 ppm; 4.16 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    PRO  112 + HD3   PRO  112  OK   100   100 100 100  3.6-3.6   3.6=100
      HB3   SER  111 - HD3   PRO  112  far    2    97   3   -  4.1-4.8
      HA    PHE   92 - HD3   PRO  112  far    0    98   0   -  8.6-9.3
      HA    GLN   91 - HD3   PRO  112  far    0    93   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3770 from c13no.peaks (2.53, 4.13, 51.57 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 1.00:
      HG2   PRO  112 + HD2   PRO  112  OK   100   100 100 100  2.7-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3771 from c13no.peaks (2.04, 4.13, 51.57 ppm; 4.47 A):
    1 out of 1 assignment used, quality = 0.58:
      HB2   GLU  113 + HD2   PRO  112  OK    58    65 100  88  4.0-4.3   1268/549=72, ~3801=16, 8.2=16, 8.7/3732=14...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3772 from c13no.peaks (1.83, 4.13, 51.57 ppm; 4.29 A):
    1 out of 3 assignments used, quality = 1.00:
      HG3   PRO  112 + HD2   PRO  112  OK   100   100 100 100  2.3-2.3   2.3=100
      HG    LEU   86 - HD2   PRO  112  far    0    81   0   -  7.5-9.8
      HG    LEU   84 - HD2   PRO  112  far    0    99   0   -  9.1-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3773 from c13no.peaks (1.90, 4.13, 51.57 ppm; 4.43 A):
    1 out of 4 assignments used, quality = 0.98:
      HB3   PRO  112 + HD2   PRO  112  OK    98    98 100 100  3.9-3.9   3.0=100
      HB3   GLU  113 - HD2   PRO  112  far    0    85   0   -  5.6-5.9
      HB3   PRO  109 - HD2   PRO  112  far    0    95   0   -  6.2-6.3
      QB    ALA   61 - HD2   PRO  112  far    0    99   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3774 from c13no.peaks (1.33, 4.13, 51.57 ppm; 5.30 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   LEU   89 + HD2   PRO  112  OK   100   100 100 100  3.6-4.0   3754/1.8=82, ~3758=65, 3.1/3775=64, ~3753=58...(8)
      HB3   LEU   62 - HD2   PRO  112  far    0    92   0   -  7.0-8.2
      HB3   LEU   86 - HD2   PRO  112  far    0    98   0   -  8.6-9.7
      HB3   LEU   65 - HD2   PRO  112  far    0    83   0   -  8.9-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3775 from c13no.peaks (0.79, 4.13, 51.57 ppm; 5.50 A increased from 4.70 A):
    1 out of 2 assignments used, quality = 0.68:
      QD1   LEU   89 + HD2   PRO  112  OK    68    68 100 100  3.4-5.5   3753/1.8=97, 3737/3732=78, 3.1/3774=72, 1264/4.8=65...(12)
      QD2   LEU   93 - HD2   PRO  112  far    0    99   0   -  7.0-8.0
    Violated in 2 structures by 0.00 A.
 
    Peak 3776 from c13no.peaks (0.75, 1.82, 28.60 ppm; 3.34 A):
    0 out of 4 assignments used, quality = 0.00:
      QD2   LEU   89 + HG3   PRO  112  far    0    90   0   -  4.3-5.1
      QD1   LEU   65 + HG3   PRO  112  far    0   100   0   -  6.1-7.3
      QD1   LEU   87 + HG3   PRO  112  far    0    93   0   -  7.1-8.2
      QD1   LEU   84 + HG3   PRO  112  far    0    93   0   -  7.8-8.6
    Violated in 20 structures by 1.28 A.
 
    Peak 3777 from c13no.peaks (0.90, 1.82, 28.60 ppm; 3.65 A):
    1 out of 5 assignments used, quality = 1.00:
      QG1   VAL   88 + HG3   PRO  112  OK   100   100 100 100  3.0-3.7   3796/2.3=59, 3794/2.3=58, 3789/1.8=56, 2262/3747=45...(12)
      QD2   LEU   86 - HG3   PRO  112  far    0    90   0   -  6.8-7.8
      QD1   LEU   93 - HG3   PRO  112  far    0    60   0   -  7.2-8.3
      QD2   LEU  118 - HG3   PRO  112  far    0    98   0   -  8.4-8.7
      QD1   LEU  118 - HG3   PRO  112  far    0    68   0   -  9.3-9.6
    Violated in 1 structures by 0.00 A.
 
    Peak 3778 from c13no.peaks (1.12, 1.82, 28.60 ppm; 5.34 A increased from 4.28 A):
    1 out of 2 assignments used, quality = 0.99:
      QG2   VAL   88 + HG3   PRO  112  OK    99    99 100 100  4.2-5.3   2.1/3777=100, 3149/1.8=97, ~3789=75, ~3796=73...(9)
      QG1   VAL  119 - HG3   PRO  112  far    0    68   0   -  9.2-9.6
    Violated in 4 structures by 0.00 A.
 
    Peak 3779 from c13no.peaks (1.36, 1.82, 28.60 ppm; 4.13 A):
    0 out of 4 assignments used, quality = 0.00:
      HG    LEU   62 + HG3   PRO  112  far    0    63   0   -  4.3-6.5
      HB3   LEU   65 + HG3   PRO  112  far    0    90   0   -  7.1-8.3
      HB3   LEU   93 + HG3   PRO  112  far    0   100   0   -  8.7-10.8
      HB3   LEU   86 + HG3   PRO  112  far    0    65   0   -  8.9-10.2
    Violated in 20 structures by 1.20 A.
 
    Peak 3780 from c13no.peaks (3.81, 1.82, 28.60 ppm; 3.67 A):
    1 out of 6 assignments used, quality = 1.00:
      HD3   PRO  112 + HG3   PRO  112  OK   100   100 100 100  3.0-3.0   2.3=100
      HA    GLU  113 - HG3   PRO  112  far    0    96   0   -  4.2-4.3
      HA    GLU   81 - HG3   PRO  112  far    0    76   0   -  5.9-6.9
      HA    LEU   62 - HG3   PRO  112  far    0    60   0   -  6.2-6.8
      HA    ARG   66 - HG3   PRO  112  far    0    97   0   -  7.2-7.9
      HA3   GLY  110 - HG3   PRO  112  far    0    98   0   -  9.0-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3781 from c13no.peaks (4.13, 1.82, 28.60 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 1.00:
      HD2   PRO  112 + HG3   PRO  112  OK   100   100 100 100  2.3-2.3   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3782 from c13no.peaks (3.81, 2.54, 28.60 ppm; 4.00 A):
    1 out of 7 assignments used, quality = 1.00:
      HD3   PRO  112 + HG2   PRO  112  OK   100   100 100 100  2.3-2.3   2.3=100
      HA    GLU   81 - HG2   PRO  112  far    0    76   0   -  5.5-6.6
      HA    GLU  113 - HG2   PRO  112  far    0    96   0   -  5.8-5.9
      HA    LEU   62 - HG2   PRO  112  far    0    60   0   -  6.2-6.9
      HA    ARG   66 - HG2   PRO  112  far    0    97   0   -  6.5-7.2
      HA3   GLY  110 - HG2   PRO  112  far    0    98   0   -  9.0-9.2
      HA    LYS   80 - HG2   PRO  112  far    0    83   0   -  9.2-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3783 from c13no.peaks (4.13, 2.54, 28.60 ppm; 3.95 A):
    1 out of 1 assignment used, quality = 1.00:
      HD2   PRO  112 + HG2   PRO  112  OK   100   100 100 100  2.7-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3784 from c13no.peaks (2.10, 2.54, 28.60 ppm; 3.66 A):
    2 out of 5 assignments used, quality = 1.00:
      HB2   PRO  112 + HG2   PRO  112  OK   100   100 100 100  2.7-2.7   2.3=100
      QB    GLU   85 + HG2   PRO  112  OK    28    81 100  35  1.9-3.1   3043/5.0=19, 3033/3789=18, ~3758=2
      QB    GLU  114 - HG2   PRO  112  far    0    96   0   -  7.0-7.6
      HG2   PRO  109 - HG2   PRO  112  far    0   100   0   -  8.4-9.5
      QB    GLN   59 - HG2   PRO  112  far    0    99   0   -  9.8-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3785 from c13no.peaks (1.90, 2.54, 28.60 ppm; 3.43 A):
    1 out of 5 assignments used, quality = 0.98:
      HB3   PRO  112 + HG2   PRO  112  OK    98    98 100 100  2.3-2.3   2.3=100
      HB3   GLU  113 - HG2   PRO  112  far    0    85   0   -  6.7-7.0
      HB3   PRO  109 - HG2   PRO  112  far    0    95   0   -  8.2-8.4
      QB    ALA   61 - HG2   PRO  112  far    0    99   0   -  8.3-9.0
      HB2   LYS   80 - HG2   PRO  112  far    0    68   0   -  9.2-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3786 from c13no.peaks (1.83, 2.54, 28.60 ppm; 3.34 A):
    1 out of 5 assignments used, quality = 1.00:
      HG3   PRO  112 + HG2   PRO  112  OK   100   100 100 100  1.8-1.8   1.8=100
      HG    LEU   86 - HG2   PRO  112  far    0    81   0   -  6.6-9.2
      HG    LEU   84 - HG2   PRO  112  far    0    99   0   -  7.3-8.1
      HG2   GLN   91 - HG2   PRO  112  far    0    97   0   -  8.7-10.0
      HG    LEU   87 - HG2   PRO  112  far    0    87   0   -  9.0-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3787 from c13no.peaks (1.36, 2.54, 28.60 ppm; 4.41 A):
    1 out of 4 assignments used, quality = 0.70:
      HB3   LEU   89 + HG2   PRO  112  OK    70    71 100  99  2.9-3.7   4.0/3811=48, ~3758=42, ~3795=37, ~3753=36...(12)
      HB3   LEU   65 - HG2   PRO  112  far    0    98   0   -  6.3-7.5
      HB3   LEU   86 - HG2   PRO  112  far    0    83   0   -  7.3-8.5
      HB3   LEU   93 - HG2   PRO  112  far    0    97   0   -  7.9-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3788 from c13no.peaks (1.12, 2.54, 28.60 ppm; 4.99 A):
    1 out of 2 assignments used, quality = 0.99:
      QG2   VAL   88 + HG2   PRO  112  OK    99    99 100 100  3.1-4.2   3149=99, 2.1/3789=90, ~3777=76, 3778/1.8=72...(12)
      QG1   VAL  119 - HG2   PRO  112  far    0    68   0   -  9.7-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3789 from c13no.peaks (0.90, 2.54, 28.60 ppm; 4.27 A):
    1 out of 5 assignments used, quality = 1.00:
      QG1   VAL   88 + HG2   PRO  112  OK   100   100 100 100  2.1-3.1   3777/1.8=90, 3796/2.3=77, 3794/2.3=76, 2.1/3149=74...(14)
      QD2   LEU   86 - HG2   PRO  112  far    0    90   0   -  5.7-6.7
      QD1   LEU   93 - HG2   PRO  112  far    0    60   0   -  6.9-8.0
      QD2   LEU  118 - HG2   PRO  112  far    0    98   0   -  9.3-9.5
      QD1   LEU  118 - HG2   PRO  112  far    0    68   0   -  9.8-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3790 from c13no.peaks (0.77, 2.54, 28.60 ppm; 4.58 A):
    0 out of 4 assignments used, quality = 0.00:
      QD1   LEU   65 + HG2   PRO  112  far    0    92   0   -  5.6-7.0
      QD1   LEU   87 + HG2   PRO  112  far    0    60   0   -  5.7-6.7
      QD1   LEU   84 + HG2   PRO  112  far    0    60   0   -  6.8-7.6
      QD2   LEU   93 + HG2   PRO  112  far    0    60   0   -  7.2-8.3
    Violated in 20 structures by 0.78 A.
 
    Peak 3791 from c13no.peaks (0.49, 1.91, 32.80 ppm; 4.72 A increased from 4.19 A):
    1 out of 1 assignment used, quality = 0.96:
      QD1   LEU   62 + HB3   PRO  112  OK    96    96 100 100  3.5-4.7   3792/1.8=91, 2.1/3751=83, 3745/2.3=76, ~2266=71...(17)
    Violated in 5 structures by 0.00 A.
 
    Peak 3792 from c13no.peaks (0.50, 2.10, 32.80 ppm; 4.02 A):
    1 out of 1 assignment used, quality = 0.85:
      QD1   LEU   62 + HB2   PRO  112  OK    85    85 100 100  1.9-3.7   2275=85, 2.1/2266=81, 3745/2.3=58, 3791/1.8=56...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 3793 from c13no.peaks (0.75, 2.10, 32.80 ppm; 4.59 A increased from 4.08 A):
    1 out of 5 assignments used, quality = 0.88:
      QD2   LEU   89 + HB2   PRO  112  OK    88    90  98 100  3.8-4.5   3744/2.3=94, 3795/1.8=85, ~3753=42, ~3787=39...(14)
      QD1   LEU   65 - HB2   PRO  112  poor  19   100  25  76  4.3-5.4   2361/2266=69, 2395/152=22
      QD2   LEU   45 - HB3   PRO   38  far    0    57   0   -  5.6-10.6
      QD1   LEU   87 - HB2   PRO  112  far    0    93   0   -  6.9-8.1
      QD1   LEU   84 - HB2   PRO  112  far    0    93   0   -  8.3-8.9
    Violated in 1 structures by 0.01 A.
 
    Peak 3794 from c13no.peaks (0.90, 2.10, 32.80 ppm; 3.96 A):
    1 out of 6 assignments used, quality = 1.00:
      QG1   VAL   88 + HB2   PRO  112  OK   100   100 100 100  2.0-2.4   3796/1.8=76, 3777/2.3=74, 2262/2266=63, 3789/2.3=61...(14)
      QD1   LEU   93 - HB2   PRO  112  far    0    60   0   -  6.5-7.7
      QD2   LEU   86 - HB2   PRO  112  far    0    90   0   -  7.9-8.9
      QD2   LEU  118 - HB2   PRO  112  far    0    98   0   -  8.1-8.4
      QD1   LEU  118 - HB2   PRO  112  far    0    68   0   -  8.5-8.9
      QG2   ILE  100 - HB2   PRO  112  far    0    99   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3795 from c13no.peaks (0.75, 1.91, 32.80 ppm; 4.30 A):
    1 out of 4 assignments used, quality = 0.90:
      QD2   LEU   89 + HB3   PRO  112  OK    90    90 100 100  2.6-3.4   3744/2.3=89, 3793/1.8=58, ~3753=37, ~3787=34...(13)
      QD1   LEU   65 - HB3   PRO  112  far    3   100   3   -  4.4-5.6
      QD1   LEU   87 - HB3   PRO  112  far    0    93   0   -  6.2-7.2
      QD1   LEU   84 - HB3   PRO  112  far    0    93   0   -  8.0-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3796 from c13no.peaks (0.90, 1.91, 32.80 ppm; 3.92 A):
    1 out of 6 assignments used, quality = 1.00:
      QG1   VAL   88 + HB3   PRO  112  OK   100   100 100 100  1.8-2.2   3794/1.8=74, 3777/2.3=73, 3789/2.3=60, 3743/2.3=58...(14)
      QD1   LEU   93 - HB3   PRO  112  far    0    60   0   -  5.5-6.7
      QD2   LEU   86 - HB3   PRO  112  far    0    90   0   -  7.0-7.9
      QD2   LEU  118 - HB3   PRO  112  far    0    98   0   -  8.3-8.7
      QD1   LEU  118 - HB3   PRO  112  far    0    68   0   -  8.4-8.9
      QG2   ILE  100 - HB3   PRO  112  far    0    99   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3797 from c13no.peaks (1.83, 2.10, 32.80 ppm; 3.26 A):
    1 out of 4 assignments used, quality = 1.00:
      HG3   PRO  112 + HB2   PRO  112  OK   100   100 100 100  2.3-2.3   2.3=100
      HG2   GLN   91 - HB2   PRO  112  far    0    97   0   -  7.9-9.5
      HG    LEU   84 - HB2   PRO  112  far    0    99   0   -  8.5-9.6
      HG    LEU   86 - HB2   PRO  112  far    0    81   0   -  9.2-11.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3798 from c13no.peaks (1.91, 2.10, 32.80 ppm; 2.97 A):
    1 out of 8 assignments used, quality = 1.00:
      HB3   PRO  112 + HB2   PRO  112  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   GLU  113 - HB2   PRO  112  far    0   100   0   -  5.9-6.0
      QB    ARG   46 - HB3   PRO   38  far    0    80   0   -  6.0-7.9
      QB    ALA   61 - HB2   PRO  112  far    0    83   0   -  6.3-6.9
      HB2   LEU   93 - HB2   PRO  112  far    0    89   0   -  6.6-9.1
      HB3   PRO  109 - HB2   PRO  112  far    0    65   0   -  7.7-8.0
      HB3   GLU   81 - HB2   PRO  112  far    0    68   0   -  8.1-10.2
      HG    LEU  118 - HB2   PRO  112  far    0    81   0   -  9.4-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3799 from c13no.peaks (4.13, 1.91, 32.80 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 1.00:
      HD2   PRO  112 + HB3   PRO  112  OK   100   100 100 100  3.9-3.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3800 from c13no.peaks (3.81, 1.91, 32.80 ppm; 4.26 A):
    1 out of 7 assignments used, quality = 1.00:
      HD3   PRO  112 + HB3   PRO  112  OK   100   100 100 100  3.0-3.0   3.0=100
      HA    LEU   62 - HB3   PRO  112  far    0    60   0   -  5.2-5.9
      HA    GLU  113 - HB3   PRO  112  far    0    96   0   -  5.5-5.6
      HA    ARG   66 - HB3   PRO  112  far    0    97   0   -  7.0-8.0
      HA    GLU   81 - HB3   PRO  112  far    0    76   0   -  7.7-8.7
      HA3   GLY  110 - HB3   PRO  112  far    0    98   0   -  9.0-9.2
      HA2   GLY   94 - HB3   PRO  112  far    0    78   0   -  9.7-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3801 from c13no.peaks (3.81, 2.10, 32.80 ppm; 3.98 A):
    2 out of 6 assignments used, quality = 1.00:
      HD3   PRO  112 + HB2   PRO  112  OK   100   100 100 100  3.9-3.9   3.0=100
      HA    GLU  113 + HB2   PRO  112  OK    87    96  93  98  4.0-4.1   3836/2266=46, 3837/2275=46, 5.2=46, 3.6/3807=32...(11)
      HA    LEU   62 - HB2   PRO  112  far    0    60   0   -  4.4-4.9
      HA    ARG   66 - HB2   PRO  112  far    0    97   0   -  6.8-7.6
      HA    GLU   81 - HB2   PRO  112  far    0    76   0   -  7.5-8.4
      HA3   GLY  110 - HB2   PRO  112  far    0    98   0   -  9.8-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3802 from c13no.peaks (4.13, 2.10, 32.80 ppm; 4.15 A):
    1 out of 1 assignment used, quality = 1.00:
      HD2   PRO  112 + HB2   PRO  112  OK   100   100 100 100  4.0-4.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3803 from c13no.peaks (7.82, 3.98, 66.42 ppm; 5.20 A):
    1 out of 3 assignments used, quality = 0.96:
      H     GLU  114 + HA    PRO  112  OK    96    96 100 100  4.2-4.6   535/3.6=85, 534/3804=76, 1689/3742=73, 1279/3744=61...(13)
      H     LEU  118 - HA    PRO  112  far    0    90   0   -  8.3-8.6
      H     ALA   61 - HA    PRO  112  far    0    63   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3804 from c13no.peaks (7.96, 3.98, 66.42 ppm; 4.33 A):
    1 out of 1 assignment used, quality = 0.98:
      H     ALA  115 + HA    PRO  112  OK    98    98 100 100  3.6-4.0   2.9/3742=77, 1287/3744=59, 543/3.6=50, 565/3805=45...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 3805 from c13no.peaks (8.53, 3.98, 66.42 ppm; 4.77 A increased from 4.49 A):
    1 out of 2 assignments used, quality = 0.80:
      H     ALA  116 + HA    PRO  112  OK    80    81 100  99  4.2-4.6   3.7/3742=75, 565/3804=60, 3824/5.4=47, 544/3.6=46...(10)
      H     LEU   89 - HA    PRO  112  far    4    85   5   -  4.7-5.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3807 from c13no.peaks (7.83, 2.10, 32.80 ppm; 5.29 A):
    1 out of 4 assignments used, quality = 0.92:
      H     GLU  114 + HB2   PRO  112  OK    92    99  93 100  5.1-5.4   535/3.9=85, 3803/2.3=57, 1280/6.3=47, 3828/6.3=47...(11)
      H     ALA   43 - HB3   PRO   38  lone   8    59  73  20  4.5-6.1   740/8.3=19
      HE21  GLN   71 - HB3   PRO   38  far    0    48   0   -  8.8-12.1
      H     LEU  118 - HB2   PRO  112  far    0   100   0   -  9.8-10.1
    Violated in 2 structures by 0.02 A.
 
    Peak 3808 from c13no.peaks (8.94, 1.91, 32.80 ppm; 4.43 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLU  113 + HB3   PRO  112  OK    93    93 100 100  3.9-4.1   3.9=100
      H     VAL   88 - HB3   PRO  112  far    0    89   0   -  4.9-5.6
      H     GLY  110 - HB3   PRO  112  far    0    73   0   -  8.1-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3809 from c13no.peaks (8.94, 3.98, 66.42 ppm; 5.11 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLU  113 + HA    PRO  112  OK    93    93 100 100  3.5-3.6   3.6=100
      H     GLY  110 - HA    PRO  112  far    0    73   0   -  6.5-6.8
      H     VAL   88 - HA    PRO  112  far    0    89   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3810 from c13no.peaks (8.94, 2.10, 32.80 ppm; 4.61 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLU  113 + HB2   PRO  112  OK    93    93 100 100  3.0-3.3   3.9=100
      H     VAL   88 - HB2   PRO  112  far    0    89   0   -  6.0-6.8
      H     GLY  110 - HB2   PRO  112  far    0    73   0   -  8.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3811 from c13no.peaks (8.51, 2.54, 28.60 ppm; 4.67 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU   89 + HG2   PRO  112  OK   100   100 100 100  3.3-3.8   470/2.3=79, 1129=60, 4.0/3787=57, 3813/1.8=56...(9)
      H     ALA  116 - HG2   PRO  112  far    0   100   0   -  7.5-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3812 from c13no.peaks (8.94, 2.54, 28.60 ppm; 4.71 A):
    2 out of 3 assignments used, quality = 0.95:
      H     GLU  113 + HG2   PRO  112  OK    93    93 100 100  3.6-3.9   549/2.3=84, 5.0=81, 3814/1.8=80, 3816/2.3=65...(17)
      H     VAL   88 + HG2   PRO  112  OK    24    89  28  97  4.5-5.7   1121/3149=62, 3.9/3789=60, 365/3811=51, ~3139=37...(6)
      H     GLY  110 - HG2   PRO  112  far    0    73   0   -  8.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3813 from c13no.peaks (8.52, 1.82, 28.60 ppm; 5.50 A increased from 4.67 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   89 + HG3   PRO  112  OK    97    97 100 100  5.0-5.4   1129/1.8=97, 4.3/3777=80, 470/2.3=78, 4.3/3778=59...(6)
      H     ALA  116 - HG3   PRO  112  far    0    96   0   -  6.4-6.6
    Violated in 2 structures by 0.00 A.
 
    Peak 3814 from c13no.peaks (8.94, 1.82, 28.60 ppm; 4.68 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLU  113 + HG3   PRO  112  OK    93    93 100 100  2.0-2.4   549/2.3=84, 5.0=80, 3816/2.3=64, 3812/1.8=62...(16)
      H     VAL   88 - HG3   PRO  112  far    0    89   0   -  6.1-7.4
      H     GLY  110 - HG3   PRO  112  far    0    73   0   -  8.8-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3815 from c13no.peaks (8.94, 4.13, 51.57 ppm; 4.91 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLU  113 + HD2   PRO  112  OK    93    93 100 100  2.6-2.7   549=92, 3814/2.3=79, 3816/1.8=76, 1268/3771=67...(14)
      H     VAL   88 - HD2   PRO  112  far    0    89   0   -  6.9-8.0
      H     GLY  110 - HD2   PRO  112  far    0    73   0   -  7.1-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3816 from c13no.peaks (8.94, 3.81, 51.57 ppm; 5.08 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLU  113 + HD3   PRO  112  OK    93    93 100 100  3.8-3.9   549/1.8=93, 3814/2.3=82, 5.6=75, 3812/2.3=65...(14)
      H     VAL   88 - HD3   PRO  112  far    0    89   0   -  5.7-6.6
      H     GLY  110 - HD3   PRO  112  far    0    73   0   -  6.7-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3817 from c13no.peaks (7.84, 2.46, 37.66 ppm; 5.16 A increased from 4.34 A):
    1 out of 4 assignments used, quality = 0.93:
      H     GLU  114 + HG2   GLU  113  OK    93    93 100 100  4.5-5.0   3828/3.0=91, 5.4=85, 1280/3.0=83, 536/1266=73...(12)
      H     GLU   85 - HG2   GLU  113  far    0    60   0   -  7.2-8.0
      H     GLN   82 - HG2   GLU  113  far    0    99   0   -  9.6-10.5
      H     LEU  118 - HG2   GLU  113  far    0    97   0   -  9.7-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3818 from c13no.peaks (8.94, 2.46, 37.66 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 0.93:
      H     GLU  113 + HG2   GLU  113  OK    93    93 100 100  2.5-3.3   1266=86, 3820/1.8=72, 1268/3.0=71, 3827/3.0=63...(21)
      H     VAL   88 - HG2   GLU  113  far    0    89   0   -  8.9-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3819 from c13no.peaks (7.84, 2.22, 37.66 ppm; 5.50 A increased from 4.40 A):
    1 out of 3 assignments used, quality = 0.93:
      H     GLU  114 + HG3   GLU  113  OK    93    93 100 100  5.0-5.3   5.4=100
      H     GLU   85 - HG3   GLU  113  far    0    60   0   -  8.5-9.7
      H     LEU  118 - HG3   GLU  113  far    0    97   0   -  8.8-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3820 from c13no.peaks (8.94, 2.22, 37.66 ppm; 4.15 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU  113 + HG3   GLU  113  OK   100   100 100 100  3.9-4.1   1267=100, 1266/1.8=84, 1268/3.0=77, 2.9/1431=75...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 3821 from c13no.peaks (8.94, 3.80, 61.11 ppm; 3.70 A):
    1 out of 5 assignments used, quality = 0.93:
      H     GLU  113 + HA    GLU  113  OK    93    93 100 100  2.8-2.9   2.9=100
      H     VAL   88 - HA    ARG   66  far    0    46   0   -  4.6-5.9
      H     GLU  113 - HA    ARG   66  far    0    49   0   -  8.9-10.0
      H     GLY  110 - HA    GLU  113  far    0    73   0   -  9.3-9.7
      H     VAL   88 - HA    GLU  113  far    0    89   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3822 from c13no.peaks (7.83, 3.80, 61.11 ppm; 4.11 A):
    1 out of 4 assignments used, quality = 0.99:
      H     GLU  114 + HA    GLU  113  OK    99    99 100 100  3.5-3.5   3.6=100
      H     LEU  118 - HA    GLU  113  far    0   100   0   -  7.3-7.5
      HE21  GLN   71 - HA    ARG   66  far    0    29   0   -  7.6-8.5
      H     GLN   82 - HA    ARG   66  far    0    49   0   -  8.3-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3823 from c13no.peaks (7.39, 3.80, 61.11 ppm; 4.44 A):
    1 out of 3 assignments used, quality = 0.56:
      H     GLU   67 + HA    ARG   66  OK    56    56 100 100  3.5-3.5   3.6=100
      QE    PHE   47 - HA    ARG   66  far    3    34   8   -  4.4-5.5
      HH2   TRP   72 - HA    ARG   66  far    0    57   0   -  8.9-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3824 from c13no.peaks (8.53, 3.80, 61.11 ppm; 4.09 A):
    1 out of 4 assignments used, quality = 0.80:
      H     ALA  116 + HA    GLU  113  OK    80    81 100 100  3.5-3.7   2.9/3842=73, 975=53, 634/2.9=37, 565/567=37...(15)
      H     LEU   68 - HA    ARG   66  far    0    49   0   -  4.3-4.5
      H     LEU   89 - HA    ARG   66  far    0    43   0   -  6.8-7.9
      H     LEU   89 - HA    GLU  113  far    0    85   0   -  8.3-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3825 from c13no.peaks (8.68, 3.80, 61.11 ppm; 3.77 A):
    1 out of 3 assignments used, quality = 0.54:
      H     ARG   66 + HA    ARG   66  OK    54    54 100 100  2.7-2.9   3.0=100
      H     GLU   81 - HA    ARG   66  far    0    37   0   -  7.4-8.5
      H     ARG   66 - HA    GLU  113  far    0    98   0   -  8.5-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3826 from c13no.peaks (7.85, 1.92, 29.02 ppm; 3.79 A):
    2 out of 7 assignments used, quality = 0.86:
      H     GLU  114 + HB3   GLU  113  OK    75    76 100  99  3.1-3.6   2922/1.8=78, 1280=75, 536/3827=41, 3817/3.0=34...(11)
      H     GLN   82 + HB3   GLU   81  OK    44    47 100  94  3.0-3.8   4.6=55, 335/4.0=47, 2914/3.0=46, 2911/3.0=22...(8)
      H     GLU   85 - HB3   GLU   81  far    0    33   0   -  4.6-5.9
      H     LEU  118 - HB3   GLU  113  far    0    85   0   -  7.8-8.1
      H     GLU  114 - HB3   GLU   81  far    0    30   0   -  9.1-11.5
      H     GLU   85 - HB3   GLU  113  far    0    83   0   -  9.5-10.5
      H     ALA   43 - HB2   ARG   74  far    0    73   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3827 from c13no.peaks (8.94, 1.92, 29.02 ppm; 3.77 A):
    1 out of 4 assignments used, quality = 1.00:
      H     GLU  113 + HB3   GLU  113  OK   100   100 100 100  3.4-3.6   1269=95, 1268/1.8=88, 1266/3.0=56, 1267/3850=51...(20)
      H     GLU  113 - HB3   GLU   81  far    0    46   0   -  7.3-9.7
      H     VAL   88 - HB3   GLU   81  far    0    26   0   -  9.0-10.5
      H     GLY  110 - HB3   GLU  113  far    0    92   0   -  9.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3828 from c13no.peaks (7.84, 2.02, 29.02 ppm; 3.67 A):
    1 out of 7 assignments used, quality = 0.91:
      H     GLU  114 + HB2   GLU  113  OK    91    93 100  97  2.6-3.1   1280/1.8=65, 4.6=50, 535/4.0=43, 3817/3.0=33...(12)
      H     GLN   82 - HB2   GLU   81  far    0    65   0   -  3.9-4.3
      H     GLU   85 - HB2   GLU   81  far    0    33   0   -  4.6-5.6
      H     GLU   85 - HB2   GLU  113  far    0    60   0   -  7.8-9.0
      H     LEU  118 - HB2   GLU  113  far    0    97   0   -  8.4-9.1
      H     GLU  114 - HB2   GLU   81  far    0    57   0   -  8.8-11.2
      H     GLN   82 - HB2   GLU  113  far    0    99   0   -  9.9-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3829 from c13no.peaks (8.94, 2.02, 29.02 ppm; 3.77 A):
    1 out of 5 assignments used, quality = 0.93:
      H     GLU  113 + HB2   GLU  113  OK    93    93 100 100  2.1-2.4   4.0=83, 3827/1.8=71, 1266/3.0=52, 3820/3.0=48...(20)
      H     GLU  113 - HB2   GLU   81  far    0    57   0   -  7.0-8.8
      H     GLY  110 - HB2   GLU  113  far    0    73   0   -  8.7-9.3
      H     VAL   88 - HB2   GLU   81  far    0    53   0   -  8.8-9.8
      H     VAL   88 - HB2   GLU  113  far    0    89   0   -  9.5-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3830 from c13no.peaks (8.69, 1.92, 29.02 ppm; 3.90 A):
    1 out of 2 assignments used, quality = 0.39:
      H     GLU   81 + HB3   GLU   81  OK    39    39 100 100  2.3-3.6   4.0=92, 1050/1.8=75, 1051/3.0=58, 1052/3.0=57...(16)
      H     ARG   66 - HB3   GLU   81  far    0    37   0   -  8.8-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3831 from c13no.peaks (8.68, 2.02, 29.02 ppm; 3.89 A):
    1 out of 4 assignments used, quality = 0.43:
      H     GLU   81 + HB2   GLU   81  OK    43    43 100 100  2.8-3.6   4.0=91, 3830/1.8=72, 1051/3.0=47, 1052/3.0=47...(15)
      H     ARG   66 - HB2   GLU   81  far    0    63   0   -  8.3-10.7
      H     ARG   66 - HB2   GLU  113  far    0    98   0   -  9.4-10.9
      H     GLU   81 - HB2   GLU  113  far    0    76   0   -  9.7-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3832 from c13no.peaks (0.49, 2.46, 37.66 ppm; 5.26 A increased from 4.95 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   62 + HG2   GLU  113  OK    99    99 100 100  2.5-5.0   3835/1.8=86, 2276=84, 3837/3.6=81, 2.1/3833=79...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3833 from c13no.peaks (0.29, 2.46, 37.66 ppm; 5.18 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   62 + HG2   GLU  113  OK   100   100 100 100  3.0-4.4   2.1/3832=76, 3836/3.6=76, 2.1/3840=71, 3834/1.8=71...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 3834 from c13no.peaks (0.30, 2.22, 37.66 ppm; 5.50 A increased from 4.95 A):
    1 out of 1 assignment used, quality = 0.95:
      QD2   LEU   62 + HG3   GLU  113  OK    95    95 100 100  3.6-5.5   2.1/3835=91, 2267/1.8=90, 3836/1431=81, 1275/1267=68...(15)
    Violated in 1 structures by 0.00 A.
 
    Peak 3835 from c13no.peaks (0.50, 2.22, 37.66 ppm; 4.83 A increased from 4.54 A):
    1 out of 1 assignment used, quality = 0.89:
      QD1   LEU   62 + HG3   GLU  113  OK    89    89 100 100  2.7-4.7   3837/1431=72, 3832/1.8=66, 2.1/3834=61, ~2267=59...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3836 from c13no.peaks (0.29, 3.80, 61.11 ppm; 4.24 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   62 + HA    GLU  113  OK   100   100 100 100  2.8-4.0   2.1/3837=79, 1618/1623=59, 2316/2.9=54, 2267/3.6=48...(18)
      QD1   LEU   73 - HA    ARG   66  far    0    54   0   -  4.7-5.7
      QD2   LEU   62 - HA    ARG   66  far    0    57   0   -  4.9-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3837 from c13no.peaks (0.49, 3.80, 61.11 ppm; 3.95 A):
    1 out of 3 assignments used, quality = 0.99:
      QD1   LEU   62 + HA    GLU  113  OK    99    99 100 100  1.9-3.6   1619/1623=65, 2.1/3836=64, 778=55, 3835/1431=40...(19)
      QD1   LEU   62 - HA    ARG   66  far    0    55   0   -  6.9-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3838 from c13no.peaks (1.26, 2.46, 37.66 ppm; 5.19 A increased from 4.88 A):
    1 out of 1 assignment used, quality = 0.93:
      QB    ALA  116 + HG2   GLU  113  OK    93    93 100 100  4.6-5.0   3842/3.6=87, 3839/1.8=80, 1619/3832=62, 1271/1266=57...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3839 from c13no.peaks (1.25, 2.22, 37.66 ppm; 5.07 A increased from 4.51 A):
    1 out of 1 assignment used, quality = 0.99:
      QB    ALA  116 + HG3   GLU  113  OK    99   100 100 100  3.8-5.0   1623/3.6=87, 3838/1.8=75, 1619/3835=66, 1663/1267=57...(7)
    Violated in 2 structures by 0.00 A.
 
    Peak 3840 from c13no.peaks (1.40, 2.46, 37.66 ppm; 5.50 A increased from 5.06 A):
    1 out of 2 assignments used, quality = 0.99:
      HG    LEU   62 + HG2   GLU  113  OK    99    99 100 100  3.5-5.5   2.1/3833=84, 2.1/3832=83, ~3835=71, ~3834=61...(7)
      QB    ALA  115 - HG2   GLU  113  far    0    99   0   -  6.6-7.3
    Violated in 5 structures by 0.00 A.
 
    Peak 3841 from c13no.peaks (1.55, 2.46, 37.66 ppm; 4.83 A):
    0 out of 2 assignments used, quality = 0.00:
      QB    ALA   63 + HG2   GLU  113  far    0   100   0   -  6.8-7.9
      QB    ALA  117 + HG2   GLU  113  far    0    71   0   -  6.9-7.4
    Violated in 20 structures by 1.64 A.
 
    Peak 3842 from c13no.peaks (1.26, 3.80, 61.11 ppm; 3.42 A):
    1 out of 6 assignments used, quality = 0.93:
      QB    ALA  116 + HA    GLU  113  OK    93    93 100  99  2.5-2.8   1623=86, 2.9/3824=43, 1619/3837=41, 1618/3836=30...(12)
      HG3   GLN   91 - HA    ARG   66  far    0    44   0   -  7.5-9.8
      HB2   LEU   73 - HA    ARG   66  far    0    57   0   -  8.0-9.4
      QB    ALA  116 - HA    ARG   66  far    0    49   0   -  9.4-10.2
      QG2   THR   56 - HA    GLU  113  far    0    78   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3844 from c13no.peaks (1.12, 3.80, 61.11 ppm; 3.40 A):
    1 out of 4 assignments used, quality = 0.53:
      QG2   VAL   88 + HA    ARG   66  OK    53    53 100  98  1.9-2.9   2425/2.5=51, 944/3.0=44, 2.1/3845=44, 2411/3.3=30...(12)
      QG2   VAL   88 - HA    GLU  113  far    0    97   0   -  7.1-8.0
      QG1   VAL  119 - HA    GLU  113  far    0    63   0   -  7.3-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3845 from c13no.peaks (0.91, 3.80, 61.11 ppm; 4.33 A increased from 4.08 A):
    1 out of 8 assignments used, quality = 0.58:
      QG1   VAL   88 + HA    ARG   66  OK    58    58 100 100  3.7-4.2   2.1/3844=92, 3147/2.5=78, 2767/3.0=64, ~2425=49...(12)
      QG1   VAL   88 - HA    GLU  113  far    0   100   0   -  5.0-5.7
      QD2   LEU  118 - HA    GLU  113  far    0    99   0   -  6.7-6.7
      QD1   LEU  118 - HA    GLU  113  far    0    71   0   -  7.8-7.9
      QD1   LEU   93 - HA    GLU  113  far    0    63   0   -  7.8-8.9
      QD2   LEU   86 - HA    ARG   66  far    0    46   0   -  8.7-9.7
      QG2   ILE  100 - HA    GLU  113  far    0    99   0   -  9.9-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3846 from c13no.peaks (2.47, 2.22, 37.66 ppm; 2.40 A):
    1 out of 3 assignments used, quality = 0.98:
      HG2   GLU  113 + HG3   GLU  113  OK    98    98 100 100  1.8-1.8   1.8=100
      HG3   GLN   59 - HG3   GLU  113  far    0    71   0   -  4.6-8.5
      HG2   GLN   59 - HG3   GLU  113  far    0    63   0   -  5.7-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3847 from c13no.peaks (2.23, 2.46, 37.66 ppm; 2.41 A):
    1 out of 3 assignments used, quality = 0.99:
      HG3   GLU  113 + HG2   GLU  113  OK    99    99 100 100  1.8-1.8   1.8=100
      HG3   GLU   85 - HG2   GLU  113  far    0    63   0   -  7.1-9.3
      HG3   GLU   81 - HG2   GLU  113  far    0    97   0   -  7.4-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3848 from c13no.peaks (2.47, 1.92, 29.02 ppm; 3.20 A):
    1 out of 7 assignments used, quality = 0.98:
      HG2   GLU  113 + HB3   GLU  113  OK    98    98 100 100  2.9-3.0   3.0=100
      QG    GLN   82 - HB3   GLU   81  far    2    22   8   -  3.1-6.4
      HG3   GLN   59 - HB3   GLU  113  far    0    71   0   -  5.9-8.9
      HG2   GLU  113 - HB3   GLU   81  far    0    44   0   -  6.3-8.9
      HG2   GLN   59 - HB3   GLU  113  far    0    63   0   -  7.1-8.4
      HG3   GLN   71 - HB2   ARG   74  far    0    46   0   -  7.6-9.0
      QG    GLN   82 - HB2   ARG   74  far    0    38   0   - 10.0-12.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3849 from c13no.peaks (2.23, 1.92, 29.02 ppm; 3.00 A):
    2 out of 8 assignments used, quality = 0.99:
      HG3   GLU  113 + HB3   GLU  113  OK    99    99 100 100  2.2-2.6   3.0=100
      HG3   GLU   81 + HB3   GLU   81  OK    43    43 100 100  2.4-3.0   3.0=99, 2907/3.0=33, 495/1.8=26, 2913/4.0=22...(9)
      HG3   GLU   85 - HB3   GLU   81  far    0    23   0   -  5.5-7.4
      HB2   MET   83 - HB3   GLU   81  far    0    43   0   -  6.9-8.7
      HG3   GLU  113 - HB3   GLU   81  far    0    45   0   -  6.9-10.0
      HB2   MET   83 - HB2   ARG   74  far    0    69   0   -  7.5-8.5
      HG3   GLU   81 - HB3   GLU  113  far    0    97   0   -  9.1-11.4
      HG3   GLU   85 - HB3   GLU  113  far    0    63   0   -  9.2-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3850 from c13no.peaks (1.92, 2.22, 37.66 ppm; 2.99 A):
    1 out of 6 assignments used, quality = 0.99:
      HB3   GLU  113 + HG3   GLU  113  OK    99   100 100  99  2.2-2.6   3.0=99
      HB3   PRO  112 - HG3   GLU  113  far    0    97   0   -  6.8-7.1
      HB3   GLU   81 - HG3   GLU  113  far    0    83   0   -  6.9-10.0
      QB    ALA   61 - HG3   GLU  113  far    0    68   0   -  7.9-9.1
      HB2   LEU   65 - HG3   GLU  113  far    0    65   0   -  8.3-9.5
      HG    LEU  118 - HG3   GLU  113  far    0    92   0   -  9.4-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3851 from c13no.peaks (2.02, 2.22, 37.66 ppm; 3.15 A increased from 2.96 A):
    1 out of 2 assignments used, quality = 0.99:
      HB2   GLU  113 + HG3   GLU  113  OK    99    99 100 100  2.9-3.0   3.0=100
      HB2   GLU   81 - HG3   GLU  113  far    0    97   0   -  6.2-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3852 from c13no.peaks (1.92, 2.46, 37.66 ppm; 3.11 A):
    1 out of 6 assignments used, quality = 1.00:
      HB3   GLU  113 + HG2   GLU  113  OK   100   100 100 100  2.9-3.0   3.0=100
      HB3   PRO  112 - HG2   GLU  113  far    0    97   0   -  5.1-6.1
      HB3   GLU   81 - HG2   GLU  113  far    0    83   0   -  6.3-8.9
      HB2   LEU   65 - HG2   GLU  113  far    0    65   0   -  7.6-8.4
      QB    ALA   61 - HG2   GLU  113  far    0    68   0   -  8.1-8.4
      HG    LEU  118 - HG2   GLU  113  far    0    92   0   - 10.0-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3853 from c13no.peaks (2.02, 2.46, 37.66 ppm; 3.20 A):
    1 out of 4 assignments used, quality = 0.99:
      HB2   GLU  113 + HG2   GLU  113  OK    99    99 100 100  2.3-2.8   3.0=100
      HB2   GLU   81 - HG2   GLU  113  far    0    97   0   -  6.0-7.4
      HG    LEU   93 - HG2   GLU  113  far    0    65   0   -  9.4-13.2
      QB    GLN   82 - HG2   GLU  113  far    0    71   0   -  9.6-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3854 from c13no.peaks (1.92, 3.80, 61.11 ppm; 3.04 A):
    1 out of 11 assignments used, quality = 1.00:
      HB3   GLU  113 + HA    GLU  113  OK   100   100 100 100  2.5-2.8   3.0=100
      HB2   LEU   65 - HA    ARG   66  far    0    31   0   -  4.1-4.6
      HB3   PRO  112 - HA    GLU  113  far    0    97   0   -  5.5-5.6
      HB3   PRO  112 - HA    ARG   66  far    0    52   0   -  7.0-8.0
      QB    ALA   61 - HA    GLU  113  far    0    68   0   -  7.1-7.5
      HB3   GLU   81 - HA    ARG   66  far    0    41   0   -  7.5-9.8
      HG    LEU  118 - HA    GLU  113  far    0    92   0   -  7.7-7.8
      HB2   LEU   65 - HA    GLU  113  far    0    65   0   -  7.9-8.8
      QB    ALA   61 - HA    ARG   66  far    0    32   0   -  8.0-8.8
      HB2   LEU   93 - HA    GLU  113  far    0    97   0   -  8.7-11.1
      HB3   GLU   81 - HA    GLU  113  far    0    83   0   -  8.8-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3855 from c13no.peaks (1.92, 2.02, 29.02 ppm; 2.42 A):
    2 out of 15 assignments used, quality = 1.00:
      HB3   GLU  113 + HB2   GLU  113  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   GLU   81 + HB2   GLU   81  OK    49    49 100 100  1.8-1.8   1.8=100
      HB3   GLU  125 - QB    GLU   99  far    0    48   0   -  5.3-13.3
      HB3   ARG  103 - QB    GLU   99  far    0    58   0   -  5.5-7.6
      HB3   PRO  112 - HB2   GLU  113  far    0    97   0   -  5.9-6.4
      HB3   GLU   81 - HB2   GLU  113  far    0    83   0   -  6.5-9.5
      HB2   ARG  124 - QB    GLU   99  far    0    39   0   -  7.1-13.2
      HG    LEU  122 - QB    GLU   99  far    0    49   0   -  7.3-8.4
      HB3   GLU  113 - HB2   GLU   81  far    0    67   0   -  7.5-9.6
      HB3   PRO  112 - HB2   GLU   81  far    0    61   0   -  8.4-9.9
      HG    LEU  118 - HB2   GLU  113  far    0    92   0   -  8.8-9.4
      HB2   LEU   65 - HB2   GLU  113  far    0    65   0   -  9.3-10.6
      QB    ALA   61 - HB2   GLU  113  far    0    68   0   -  9.3-10.0
      HB2   LEU   65 - HB2   GLU   81  far    0    37   0   -  9.5-11.6
      HB2   LEU   93 - HB2   GLU  113  far    0    97   0   -  9.7-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3856 from c13no.peaks (4.46, 2.11, 30.97 ppm; 4.25 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    PRO  109 + QB    GLU  114  OK   100   100 100 100  3.0-3.2   473=99, 3867/2.5=59, 2.3/477=55, 553/3857=52...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 3857 from c13no.peaks (7.45, 2.11, 30.97 ppm; 3.56 A):
    1 out of 2 assignments used, quality = 0.99:
      H     SER  111 + QB    GLU  114  OK    99   100 100  99  2.6-3.0   1260=70, 1259/2.5=49, 566/1282=45, 563/3.4=37...(14)
      H     GLN  107 - QB    GLU  114  far    0    98   0   -  8.2-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3858 from c13no.peaks (7.83, 2.11, 30.97 ppm; 3.42 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU  114 + QB    GLU  114  OK   100   100 100 100  2.3-2.6   3.4=100
      H     LEU  118 - QB    GLU  114  far    0   100   0   -  4.7-5.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3859 from c13no.peaks (7.95, 2.11, 30.97 ppm; 3.61 A):
    1 out of 3 assignments used, quality = 1.00:
      H     ALA  115 + QB    GLU  114  OK   100   100 100 100  2.3-2.4   1282=98, 534/1277=62, 3865/2.5=43, 566/3857=43...(17)
      H     GLY  121 - QB    GLU  114  far    0    83   0   -  8.8-9.1
      H     VAL  104 - QB    GLU  114  far    0    83   0   -  9.4-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3860 from c13no.peaks (8.51, 2.11, 30.97 ppm; 5.10 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA  116 + QB    GLU  114  OK   100   100 100 100  4.3-4.4   565/1282=92, 3874/2.5=90, 533/1292=67, 982/5.0=66...(12)
      H     LEU   89 - QB    GLU  114  far    0   100   0   -  8.7-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3861 from c13no.peaks (8.93, 2.11, 30.97 ppm; 4.60 A increased from 4.09 A):
    2 out of 2 assignments used, quality = 1.00:
      H     GLY  110 + QB    GLU  114  OK    94    95 100 100  4.2-4.4   537/3857=76, 3.6/473=70, 1252/2.5=49, 3.9/477=46...(9)
      H     GLU  113 + QB    GLU  114  OK    92   100  93 100  4.4-4.8   535/3.4=78, 543/1282=63, 3866/2.5=62, 3875/2.5=49...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 3862 from c13no.peaks (4.46, 2.27, 37.01 ppm; 5.50 A increased from 4.82 A):
    1 out of 2 assignments used, quality = 0.62:
      HA    PRO  109 + HG3   GLU  114  OK    62   100  63 100  5.5-5.6   473/2.5=98, 3867/1.8=96, 553/3863=61, 573/3865=54
      HA    PRO  126 - QG    GLU   54  far    0    64   0   -  5.7-14.0
    Violated in 20 structures by 0.09 A.
 
    Peak 3863 from c13no.peaks (7.45, 2.27, 37.01 ppm; 5.06 A increased from 4.49 A):
    1 out of 1 assignment used, quality = 1.00:
      H     SER  111 + HG3   GLU  114  OK   100   100 100 100  3.9-5.0   1259/1.8=96, 3857/2.5=96, 563/3864=67, 566/3865=63...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3864 from c13no.peaks (7.83, 2.26, 37.01 ppm; 3.81 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLU  114 + HG3   GLU  114  OK    99    99 100 100  1.9-2.7   1277/2.5=82, 1276/1.8=79, 3.0/502=68, 4.8=49...(13)
      H     ARG  123 - QG    GLU   54  far    0    60   0   -  6.1-7.1
      H     LEU  118 - HG3   GLU  114  far    0    99   0   -  6.9-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3865 from c13no.peaks (7.95, 2.26, 37.01 ppm; 4.56 A increased from 4.29 A):
    1 out of 4 assignments used, quality = 0.99:
      H     ALA  115 + HG3   GLU  114  OK    99    99 100 100  3.8-4.5   1282/2.5=94, 534/3864=78, 3.6/502=77, 3870/1.8=74...(12)
      H     GLY  121 - QG    GLU   54  far    0    83   0   -  7.9-8.7
      H     GLY  128 - QG    GLU   54  far    0    99   0   -  8.8-18.2
      H     VAL  104 - QG    GLU   54  far    0    83   0   -  9.0-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3866 from c13no.peaks (8.93, 2.26, 37.01 ppm; 4.99 A increased from 4.70 A):
    1 out of 2 assignments used, quality = 0.99:
      H     GLU  113 + HG3   GLU  114  OK    99    99 100 100  3.7-4.7   536/3864=80, 543/3865=57, 3875/502=53, 3861/2.5=39...(14)
      H     GLY  110 - HG3   GLU  114  far    0    93   0   -  6.2-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3867 from c13no.peaks (4.46, 2.39, 37.01 ppm; 4.66 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    PRO  109 + HG2   GLU  114  OK    99   100 100  99  4.2-4.4   473/2.5=88, 3862/1.8=58, 553/1259=54, 3.6/1252=44...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 3868 from c13no.peaks (7.45, 2.39, 37.01 ppm; 4.59 A):
    1 out of 1 assignment used, quality = 1.00:
      H     SER  111 + HG2   GLU  114  OK   100   100 100 100  3.5-4.0   1259=100, 3857/2.5=88, 3863/1.8=67, 563/3869=58...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 3869 from c13no.peaks (7.84, 2.39, 37.01 ppm; 3.51 A):
    1 out of 2 assignments used, quality = 0.94:
      H     GLU  114 + HG2   GLU  114  OK    94    95 100 100  3.4-3.5   1277/2.5=69, 1276=67, 3864/1.8=61, 3.0/504=50...(13)
      H     LEU  118 - HG2   GLU  114  far    0    98   0   -  7.4-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3870 from c13no.peaks (7.95, 2.39, 37.01 ppm; 4.76 A increased from 4.23 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ALA  115 + HG2   GLU  114  OK   100   100 100 100  4.5-4.7   1282/2.5=96, 1281=86, 534/3869=84, 3865/1.8=84...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3871 from c13no.peaks (8.94, 2.39, 37.01 ppm; 5.50 A increased from 4.63 A):
    2 out of 2 assignments used, quality = 0.81:
      H     GLU  113 + HG2   GLU  114  OK    64    95  68 100  5.4-5.6   3866/1.8=86, 536/3869=84, 3875/504=63, 543/3870=61...(14)
      H     GLY  110 + HG2   GLU  114  OK    47    76  63 100  5.5-5.7   3.6/3867=76, 1252=72, 537/1259=72, 3861/2.5=42...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3872 from c13no.peaks (7.83, 4.09, 59.29 ppm; 3.58 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLU  114 + HA    GLU  114  OK   100   100 100 100  2.8-2.8   3.0=100
      H     LEU  118 - HA    GLU  114  far    0   100   0   -  4.5-4.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3873 from c13no.peaks (7.94, 4.09, 59.29 ppm; 3.94 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ALA  115 + HA    GLU  114  OK    97    97 100 100  3.6-3.6   3.6=100
      H     GLY  121 - HA    GLU  114  far    0    60   0   -  8.6-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3874 from c13no.peaks (8.51, 4.09, 59.29 ppm; 4.06 A increased from 3.61 A):
    1 out of 4 assignments used, quality = 0.99:
      H     ALA  116 + HA    GLU  114  OK    99   100 100  99  3.9-4.1   565/3.6=65, 533/577=47, 3860/2.5=45, 982/5.0=43...(13)
      H     GLN   59 - HA    TYR   52  far    0    58   0   -  8.3-8.7
      H     GLN   59 - HA    GLU  114  far    0    92   0   -  9.4-10.0
      H     GLN  101 - HA    TYR   52  far    0    65   0   -  9.9-10.9
    Violated in 1 structures by 0.00 A.
 
    Peak 3875 from c13no.peaks (8.94, 4.09, 59.29 ppm; 5.48 A increased from 4.39 A):
    1 out of 2 assignments used, quality = 0.95:
      H     GLU  113 + HA    GLU  114  OK    95    95 100 100  5.1-5.3   536/3.0=92, 543/3.6=75, 3866/502=70, 6.4=63...(13)
      H     GLY  110 - HA    GLU  114  far    0    76   0   -  7.3-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3876 from c13no.peaks (0.90, 2.27, 37.01 ppm; 4.05 A increased from 3.60 A):
    1 out of 10 assignments used, quality = 0.48:
      QD1   ILE  100 + QG    GLU   54  OK    48    66 100  72  2.5-3.9   237/231=58, 3486/243=24, 2729/4028=13
      QG2   ILE  100 - QG    GLU   54  far    2    98   3   -  4.1-5.2
      QD2   LEU  118 - HG3   GLU  114  far    0    98   0   -  5.1-5.2
      HB3   LEU   96 - QG    GLU   54  far    0    92   0   -  6.7-7.7
      QD1   LEU  118 - HG3   GLU  114  far    0    68   0   -  7.0-7.3
      QD1   LEU   93 - HG3   GLU  114  far    0    60   0   -  7.1-8.6
      QG1   VAL   88 - HG3   GLU  114  far    0   100   0   -  7.6-8.7
      QD1   LEU  118 - QG    GLU   54  far    0    66   0   -  8.1-8.9
      QD2   LEU   86 - HG3   GLU  114  far    0    90   0   -  9.2-11.0
      QD2   LEU  118 - QG    GLU   54  far    0    97   0   -  9.7-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3877 from c13no.peaks (2.39, 2.27, 37.01 ppm; 2.49 A):
    1 out of 5 assignments used, quality = 1.00:
      HG2   GLU  114 + HG3   GLU  114  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   PRO   58 - QG    GLU   54  far    0    99   0   -  6.9-7.6
      HG2   GLU   85 - HG3   GLU  114  far    0   100   0   -  8.4-10.9
      HG2   GLN  101 - QG    GLU   54  far    0    81   0   -  8.7-10.3
      HB2   PRO   58 - HG3   GLU  114  far    0   100   0   - 10.0-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3878 from c13no.peaks (2.27, 2.39, 37.01 ppm; 2.40 A):
    1 out of 4 assignments used, quality = 1.00:
      HG3   GLU  114 + HG2   GLU  114  OK   100   100 100 100  1.8-1.8   1.8=100
      QB    GLN  107 - HG2   GLU  114  far    0    63   0   -  7.6-8.3
      HB2   LEU   89 - HG2   GLU  114  far    0   100   0   -  9.2-10.1
      HG3   GLU   85 - HG2   GLU  114  far    0    96   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3879 from c13no.peaks (0.90, 2.39, 37.01 ppm; 3.84 A):
    0 out of 5 assignments used, quality = 0.00:
      QD2   LEU  118 + HG2   GLU  114  far    0    98   0   -  4.9-5.2
      QD1   LEU  118 + HG2   GLU  114  far    0    68   0   -  6.8-7.1
      QD1   LEU   93 + HG2   GLU  114  far    0    60   0   -  6.9-7.9
      QG1   VAL   88 + HG2   GLU  114  far    0   100   0   -  8.5-9.2
      QD2   LEU   86 + HG2   GLU  114  far    0    90   0   -  9.3-10.6
    Violated in 20 structures by 1.02 A.
 
    Peak 3880 from c13no.peaks (0.90, 2.11, 30.97 ppm; 4.25 A):
    1 out of 7 assignments used, quality = 0.97:
      QD2   LEU  118 + QB    GLU  114  OK    97    98 100  99  2.7-2.9   1286/1282=61, 3689/477=52, 3882/2.5=50, 1278/3.4=42...(9)
      QD1   LEU  118 - QB    GLU  114  far    0    68   0   -  4.4-4.6
      QD1   LEU   93 - QB    GLU  114  far    0    60   0   -  5.0-5.9
      QG1   VAL   88 - QB    GLU  114  far    0   100   0   -  7.2-7.7
      QG2   ILE  100 - QB    GLU  114  far    0    99   0   -  8.3-8.5
      QD2   LEU   86 - QB    GLU  114  far    0    90   0   -  8.9-10.1
      QD1   ILE  100 - QB    GLU  114  far    0    68   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3881 from c13no.peaks (1.10, 4.09, 59.29 ppm; 4.19 A):
    0 out of 3 assignments used, quality = 0.00:
      QG1   VAL  119 + HA    TYR   52  far    0    65   0   -  6.9-7.5
      QG1   VAL  119 + HA    GLU  114  far    0    98   0   -  7.0-7.2
      QG2   VAL   88 + HA    TYR   52  far    0    65   0   -  9.7-10.7
    Violated in 20 structures by 2.18 A.
 
    Peak 3882 from c13no.peaks (0.89, 4.09, 59.29 ppm; 4.03 A):
    1 out of 10 assignments used, quality = 0.56:
      QD2   LEU  118 + HA    GLU  114  OK    56    63 100  90  3.6-3.7   3880/2.5=43, 1278/3.0=39, 1286/3.6=38, 1297/577=30...(6)
      QQG   VAL  104 - HA    GLU  114  far    0    92   0   -  6.6-7.0
      QG2   ILE  100 - HA    TYR   52  far    0    60   0   -  7.2-8.1
      QD1   ILE  100 - HA    TYR   52  far    0    66   0   -  7.7-8.6
      QG1   VAL   88 - HA    TYR   52  far    0    50   0   -  8.0-9.6
      QG1   VAL   88 - HA    GLU  114  far    0    83   0   -  8.4-8.8
      QD1   LEU  122 - HA    GLU  114  far    0    87   0   -  8.6-8.9
      QQG   VAL  104 - HA    TYR   52  far    0    58   0   -  8.8-9.5
      QG2   ILE  100 - HA    GLU  114  far    0    95   0   -  9.5-9.7
      QD2   LEU  122 - HA    TYR   52  far    0    52   0   -  9.9-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3883 from c13no.peaks (1.10, 3.92, 55.56 ppm; 3.73 A):
    2 out of 3 assignments used, quality = 0.99:
      QG1   VAL  119 + HA    ALA  116  OK    98    98 100 100  2.8-3.3   3959=96, 2.1/3960=71, 2.1/1759=58, 174/117=52...(12)
      QG1   VAL  119 + HA    ALA  115  OK    53    92  75  78  3.6-3.9   3959/5.4=28, 3969/584=23, 6.3/3942=17, 6.6/3895=16...(8)
      QG2   VAL   88 - HA    ALA  116  far    0    98   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3884 from c13no.peaks (0.90, 3.92, 55.56 ppm; 3.36 A):
    2 out of 14 assignments used, quality = 0.96:
      QD2   LEU  118 + HA    ALA  115  OK    90    92 100  99  1.9-2.0   2.1/3942=55, 2.1/3888=49, 3937=45, 1286/2.9=41...(14)
      QD1   LEU  118 + HA    ALA  115  OK    58    61 100  96  2.0-2.3   3942=56, 2.1/3888=49, 2.1/3937=37, 4.8/586=24...(11)
      QD1   LEU   93 - HA    ALA  115  far    0    53   0   -  4.5-5.2
      QD1   LEU  118 - HA    ALA  116  far    0    68   0   -  4.9-5.3
      QD2   LEU  118 - HA    ALA  116  far    0    98   0   -  5.3-5.5
      QG2   ILE  100 - HA    ALA  116  far    0    99   0   -  5.7-6.0
      QG2   ILE  100 - HA    ALA  115  far    0    94   0   -  5.8-6.1
      QD1   ILE  100 - HA    ALA  116  far    0    68   0   -  6.3-7.0
      QG1   VAL   88 - HA    ALA  116  far    0   100   0   -  7.2-8.1
      QD1   ILE  100 - HA    ALA  115  far    0    61   0   -  7.2-8.0
      QD1   LEU   93 - HA    ALA  116  far    0    60   0   -  7.3-7.8
      QG1   VAL   88 - HA    ALA  115  far    0    95   0   -  8.2-8.8
      HB3   LEU   96 - HA    ALA  116  far    0    93   0   -  8.5-9.0
      HB3   LEU   96 - HA    ALA  115  far    0    86   0   -  8.8-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3885 from c13no.peaks (0.50, 3.92, 55.56 ppm; 4.63 A):
    1 out of 2 assignments used, quality = 0.92:
      QD1   LEU   62 + HA    ALA  116  OK    92    92 100 100  3.6-4.6   1619/2.1=95, 978/3.0=68, ~1618=63, 2.1/3886=56...(11)
      QD1   LEU   62 - HA    ALA  115  far    0    84   0   -  6.2-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3886 from c13no.peaks (0.30, 3.92, 55.56 ppm; 5.50 A increased from 5.29 A):
    1 out of 2 assignments used, quality = 0.94:
      QD2   LEU   62 + HA    ALA  116  OK    94    97  98 100  4.8-5.6   2.1/3885=93, ~1619=88, 1618/2.1=77, 977/3.0=70...(9)
      QD2   LEU   62 - HA    ALA  115  far    0    89   0   -  6.7-7.2
    Violated in 9 structures by 0.02 A.
 
    Peak 3887 from c13no.peaks (1.76, 3.94, 55.53 ppm; 4.01 A):
    1 out of 11 assignments used, quality = 0.98:
      HG3   PRO  109 + HA    ALA  115  OK    98    98 100 100  2.2-4.0   1682/2.1=76, ~1685=55, ~1683=47, 3698/2.9=44...(17)
      HB2   LEU   62 - HA    ALA  116  far    0    94   0   -  5.0-7.1
      HG3   PRO  109 - HA    ALA  116  far    0    92   0   -  6.7-8.2
      HG    LEU   89 - HA    ALA  115  far    0    68   0   -  7.1-8.7
      HG3   ARG  103 - HA    ALA  115  far    0    93   0   -  7.6-11.3
      HG3   ARG  123 - HA    ALA  116  far    0    94   0   -  7.7-9.7
      HB2   ARG  108 - HA    ALA  115  far    0    99   0   -  8.6-9.1
      HB2   LEU   62 - HA    ALA  115  far    0   100   0   -  8.8-10.5
      HG    LEU   89 - HA    ALA  116  far    0    61   0   -  9.2-10.9
      QB    ARG   48 - HA    ALA  415  far    0    71   0   -  9.3-41.5
      HG3   ARG  103 - HA    ALA  116  far    0    86   0   - 10.0-13.1
    Violated in 1 structures by 0.00 A.
 
    Peak 3888 from c13no.peaks (1.92, 3.94, 55.53 ppm; 3.81 A):
    1 out of 14 assignments used, quality = 0.91:
      HG    LEU  118 + HA    ALA  115  OK    91    92 100  99  2.1-2.3   2.1/3942=79, 2.1/3937=64, 3912/586=45, 3913/2.9=39...(10)
      HG    LEU  118 - HA    ALA  116  far    0    84   0   -  4.5-4.7
      QB    ALA   61 - HA    ALA  116  far    0    61   0   -  5.6-6.1
      HB2   LEU   93 - HA    ALA  115  far    0    97   0   -  6.1-7.7
      HB3   GLU  113 - HA    ALA  116  far    0    95   0   -  7.3-7.6
      HG    LEU  122 - HA    ALA  116  far    0    84   0   -  7.4-7.8
      HB2   LEU   93 - HA    ALA  116  far    0    89   0   -  7.5-9.3
      HG    LEU  122 - HA    ALA  115  far    0    92   0   -  7.7-8.2
      HB3   PRO  112 - HA    ALA  116  far    0    89   0   -  7.7-8.1
      HB3   GLU  113 - HA    ALA  115  far    0   100   0   -  7.7-8.1
      HB3   PRO  112 - HA    ALA  115  far    0    97   0   -  7.9-8.3
      HB3   ARG  103 - HA    ALA  115  far    0   100   0   -  8.1-8.9
      QB    ALA   61 - HA    ALA  115  far    0    68   0   -  8.9-9.6
      HB2   LEU   65 - HA    ALA  116  far    0    58   0   -  9.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3889 from c13no.peaks (2.09, 3.94, 55.53 ppm; 3.45 A):
    2 out of 11 assignments used, quality = 0.91:
      HB3   PRO   58 + HA    ALA  116  OK    81    82 100  99  2.7-3.0   1620/2.1=62, 1.8/2136=46, 170/117=45, ~2132=34...(12)
      HG2   PRO  109 + HA    ALA  115  OK    50    92  55  99  2.1-4.1   1.8/3887=56, ~1682=39, ~1683=34, ~3686=30...(16)
      QB    GLU  114 - HA    ALA  115  far    0    76   0   -  3.8-3.8
      QB    GLN   59 - HA    ALA  116  far    0    77   0   -  6.3-6.8
      HG2   PRO  109 - HA    ALA  116  far    0    84   0   -  6.6-8.3
      QB    GLU  114 - HA    ALA  116  far    0    68   0   -  6.7-6.7
      HB2   PRO  112 - HA    ALA  116  far    0    93   0   -  6.9-7.3
      HB3   PRO   58 - HA    ALA  115  far    0    90   0   -  7.1-7.5
      HB2   PRO  112 - HA    ALA  115  far    0    99   0   -  7.8-8.1
      QB    GLN  105 - HA    ALA  115  far    0   100   0   -  8.9-9.6
      QB    GLN   59 - HA    ALA  115  far    0    85   0   - 10.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3890 from c13no.peaks (2.26, 3.92, 55.56 ppm; 4.07 A increased from 3.62 A):
    2 out of 8 assignments used, quality = 1.00:
      HG2   PRO   58 + HA    ALA  116  OK    99   100 100  99  3.4-3.9   2.3/2136=63, ~1620=49, ~2138=47, 2.3/3889=45...(11)
      HB    VAL  119 + HA    ALA  116  OK    49    98  50 100  2.5-4.6   3960=96, 2.1/3959=80, 2.1/1759=68, 3966/117=43...(10)
      HB    VAL  119 - HA    ALA  115  far    0    92   0   -  5.0-6.8
      HG3   GLU  114 - HA    ALA  115  far    0    92   0   -  6.2-6.5
      QG    GLU   54 - HA    ALA  116  far    0   100   0   -  7.5-8.2
      HG2   PRO   58 - HA    ALA  115  far    0    95   0   -  7.6-8.4
      HG3   GLU  114 - HA    ALA  116  far    0    98   0   -  8.4-8.6
      HB2   LEU   89 - HA    ALA  115  far    0    94   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3892 from c13no.peaks (6.90, 3.92, 55.56 ppm; 3.80 A):
    1 out of 8 assignments used, quality = 0.96:
      HZ    PHE   92 + HA    ALA  116  OK    96    96 100 100  1.9-2.5   117=93, 176/2.1=66, 3972/3959=51, 168/2136=40...(17)
      HE22  GLN   59 - HA    ALA  116  poor  19    97  20   -  3.8-4.6
      QD    PHE   92 - HA    ALA  116  far    0    93   0   -  4.4-4.9
      QD    PHE   92 - HA    ALA  115  far    0    86   0   -  4.7-5.5
      HE22  GLN  107 - HA    ALA  115  far    0    95   0   -  5.6-7.6
      HZ    PHE   92 - HA    ALA  115  far    0    88   0   -  5.8-6.2
      HE22  GLN   59 - HA    ALA  115  far    0    91   0   -  6.8-8.3
      HE22  GLN  107 - HA    ALA  116  far    0   100   0   -  8.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3893 from c13no.peaks (7.03, 3.92, 55.56 ppm; 4.21 A):
    2 out of 3 assignments used, quality = 0.93:
      QE    PHE   92 + HA    ALA  116  OK    83    83 100 100  2.4-3.0   2.2/117=84, 1657/2.1=71, 163/3959=51, ~176=50...(16)
      QE    PHE   92 + HA    ALA  115  OK    59    75  80  99  3.8-4.4   180/2.1=64, ~145=56, ~1687=52, 133/3.6=40...(9)
      QD    PHE   50 - HA    ALA  116  far    0   100   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3894 from c13no.peaks (8.51, 3.92, 55.56 ppm; 3.57 A):
    2 out of 5 assignments used, quality = 1.00:
      H     ALA  116 + HA    ALA  116  OK   100   100 100 100  2.8-2.9   3.0=100
      H     ALA  116 + HA    ALA  115  OK    95    95 100 100  3.5-3.5   3.6=100
      H     GLN   59 - HA    ALA  116  far    0    89   0   -  4.9-5.4
      H     GLN   59 - HA    ALA  115  far    0    81   0   -  9.6-10.0
      H     GLN  101 - HA    ALA  115  far    0    91   0   -  9.8-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3895 from c13no.peaks (7.82, 3.94, 55.53 ppm; 3.94 A):
    1 out of 6 assignments used, quality = 0.96:
      H     LEU  118 + HA    ALA  115  OK    96    97 100 100  3.5-3.6   586=96, 1305/3937=50, 3921/3942=42, 5.0/3888=36...(9)
      H     LEU  118 - HA    ALA  116  far    0    89   0   -  4.8-4.9
      H     GLU  114 - HA    ALA  115  far    0    99   0   -  5.2-5.4
      H     GLU  114 - HA    ALA  116  far    0    93   0   -  6.6-6.7
      H     ARG  123 - HA    ALA  116  far    0    79   0   -  8.5-8.9
      H     ARG  123 - HA    ALA  115  far    0    87   0   -  9.8-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3896 from c13no.peaks (7.96, 3.94, 55.53 ppm; 3.57 A):
    1 out of 6 assignments used, quality = 0.98:
      H     ALA  115 + HA    ALA  115  OK    98    98 100 100  2.8-2.8   2.9=100
      H     ALA  115 - HA    ALA  116  far    0    92   0   -  5.3-5.3
      H     GLY  121 - HA    ALA  116  far    0    91   0   -  6.2-6.6
      H     VAL  104 - HA    ALA  115  far    0    97   0   -  6.9-7.4
      H     GLY  121 - HA    ALA  115  far    0    97   0   -  7.5-7.8
      H     VAL  104 - HA    ALA  116  far    0    91   0   -  9.2-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3897 from c13no.peaks (1.26, 4.24, 55.12 ppm; 4.14 A):
    1 out of 3 assignments used, quality = 0.95:
      QB    ALA  116 + HA    ALA  117  OK    95    96 100 100  3.8-3.9   4.3=92, 1294/2.9=78, 856/868=42, ~1693=36...(8)
      QG2   THR   56 - HA    GLU   53  far    0    70   0   -  4.4-4.7
      QB    ALA  116 - HA    GLU   53  far    0    93   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3898 from c13no.peaks (1.98, 4.24, 55.12 ppm; 3.52 A):
    1 out of 7 assignments used, quality = 0.98:
      HB2   GLU   53 + HA    GLU   53  OK    98    98 100 100  2.2-2.3   3.0=100
      QB    ARG  123 - HA    ALA  117  far    0   100   0   -  7.2-8.4
      QB    ARG  123 - HA    GLU   53  far    0    98   0   -  7.8-10.1
      HB2   PRO  109 - HA    ALA  117  far    0    93   0   -  7.8-8.1
      HB3   GLU   60 - HA    GLU   53  far    0    60   0   -  7.9-10.2
      HB    VAL  104 - HA    ALA  117  far    0    97   0   -  9.2-9.6
      HB3   PRO  126 - HA    ALA  117  far    0   100   0   -  9.9-19.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3899 from c13no.peaks (2.75, 4.24, 55.12 ppm; 3.92 A increased from 3.69 A):
    1 out of 1 assignment used, quality = 0.59:
      HB3   ASP  120 + HA    ALA  117  OK    59    60 100  98  2.9-3.8   1.8/1492=80, 1485=58, 4.1/625=41, ~1490=33...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3900 from c13no.peaks (2.80, 4.24, 55.12 ppm; 3.79 A increased from 3.57 A):
    1 out of 2 assignments used, quality = 1.00:
      HB2   ASP  120 + HA    ALA  117  OK   100   100 100 100  3.0-3.6   1492=97, 1.8/1485=72, 1496/625=44, 1490/2.1=37...(7)
      QB    TYR   52 - HA    GLU   53  far    0    79   0   -  4.6-4.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3901 from c13no.peaks (2.74, 1.52, 18.31 ppm; 4.16 A):
    1 out of 3 assignments used, quality = 0.52:
      HG2   GLN   64 + QB    ALA   63  OK    52    54 100  97  3.0-3.1   2339/3.6=59, 895/2.9=42, 1337/4.9=40, 3.5/917=30...(9)
      HB3   ASP  120 - QB    ALA  117  far    0    78   0   -  4.3-5.0
      HA    ARG   44 - QB    ALA  417  far    0    99   0   -  8.6-32.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3902 from c13no.peaks (7.76, 4.24, 55.12 ppm; 3.34 A):
    1 out of 3 assignments used, quality = 1.00:
      H     ALA  117 + HA    ALA  117  OK   100   100 100 100  2.8-2.9   2.9=100
      H     ALA   61 - HA    GLU   53  far    0    67   0   -  7.5-8.2
      H     ALA   61 - HA    ALA  117  far    0    71   0   - 10.0-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3903 from c13no.peaks (7.87, 4.24, 55.12 ppm; 3.90 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3904 from c13no.peaks (7.87, 1.52, 18.31 ppm; 2.96 A):
    0 out of 2 assignments used, quality = 0.00:
      HE21  GLN   71 + QB    ALA   63  far    0    61   0   -  8.5-9.3
      H     GLU   85 + QB    ALA   63  far    0    64   0   -  9.6-11.0
    Violated in 20 structures by 5.42 A.
 
    Peak 3905 from c13no.peaks (8.40, 4.23, 55.13 ppm; 3.53 A increased from 3.32 A):
    2 out of 2 assignments used, quality = 0.92:
      H     ALA   55 + HA    GLU   53  OK    86   100 100  86  3.4-3.6   810/3.0=37, 4.7/718=34, 3.6/2182=29, 808/5.5=24...(7)
      H     ASP  120 + HA    ALA  117  OK    40    96  45  93  3.5-3.8   625=54, 1496/1492=47, 1494/1485=47, 624/5.4=22...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 3906 from c13no.peaks (7.86, 2.12, 43.00 ppm; 3.99 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3907 from c13no.peaks (7.95, 2.12, 43.00 ppm; 5.50 A increased from 4.74 A):
    1 out of 4 assignments used, quality = 0.85:
      H     GLY  121 + HB2   LEU  118  OK    85    87  98 100  5.4-5.6   1857/3.0=92, 3909/1.8=85, 1320/5.5=47, 621/6.1=43...(8)
      H     VAL  104 - HB2   LEU  118  far    0    87   0   -  6.7-7.5
      H     ALA  115 - HB2   LEU  118  far    0   100   0   -  6.7-6.9
      H     GLY  128 - HB2   LEU  118  far    0    99   0   -  7.4-22.0
    Violated in 15 structures by 0.06 A.
 
    Peak 3908 from c13no.peaks (7.86, 1.47, 43.00 ppm; 4.01 A):
    0 out of 5 assignments used, quality = 0.00:
    Violated in 20 structures by 2.92 A.
 
    Peak 3909 from c13no.peaks (7.95, 1.47, 43.00 ppm; 5.33 A increased from 4.73 A):
    1 out of 7 assignments used, quality = 0.87:
      H     GLY  121 + HB3   LEU  118  OK    87    87 100 100  5.0-5.3   1857/3.0=89, 3907/1.8=78, 1320/5.5=44, 621/6.1=40...(9)
      H     VAL  104 - HB3   LEU  118  far   13    87  15   -  5.3-6.0
      H     ALA  115 - HB3   LEU  118  far    0   100   0   -  7.1-7.3
      H     GLY  128 - HB3   LEU  118  far    0    99   0   -  8.0-21.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3910 from c13no.peaks (4.30, 1.93, 26.98 ppm; 4.24 A):
    0 out of 5 assignments used, quality = 0.00:
      HA    ARG  108 + HG    LEU  118  far    0    87   0   -  7.7-8.1
      HA    LEU  122 + HG    LEU  118  far    0    95   0   -  8.2-8.7
      HB2   SER  111 + HG    LEU  118  far    0    96   0   -  8.7-10.0
      HA    ARG  123 + HG    LEU  118  far    0    60   0   -  9.2-10.3
      HA2   GLY  110 + HG    LEU  118  far    0    89   0   -  9.7-10.1
    Violated in 20 structures by 2.50 A.
 
    Peak 3911 from c13no.peaks (7.66, 1.93, 26.98 ppm; 3.89 A):
    0 out of 1 assignment used, quality = 0.00:
      H     LEU  122 + HG    LEU  118  far    0    96   0   -  5.9-6.2
    Violated in 20 structures by 2.14 A.
 
    Peak 3912 from c13no.peaks (7.84, 1.93, 26.98 ppm; 3.66 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU  118 + HG    LEU  118  OK    99    99 100 100  1.8-1.9   1305/2.1=74, 3921/2.1=67, 1303/3.0=60, 2.9/528=56...(14)
      H     GLU  114 - HG    LEU  118  far    0    97   0   -  6.6-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3913 from c13no.peaks (7.96, 1.93, 26.98 ppm; 4.77 A increased from 4.49 A):
    1 out of 3 assignments used, quality = 0.99:
      H     ALA  115 + HG    LEU  118  OK    99    99 100 100  4.6-4.7   3917/2.1=89, 2.9/3888=76, 565/974=63, ~3942=57...(8)
      H     GLY  121 - HG    LEU  118  far    0    97   0   -  5.5-5.6
      H     VAL  104 - HG    LEU  118  far    0    97   0   -  6.5-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3914 from c13no.peaks (6.90, 0.91, 23.43 ppm; 5.49 A increased from 4.62 A):
    1 out of 4 assignments used, quality = 1.00:
      HE22  GLN  107 + QD2   LEU  118  OK   100   100 100 100  3.5-5.5   1244/2.1=99, 2.3/3934=99, 1.7/3915=98, 4.0/3933=83...(10)
      QD    PHE   92 - QD2   LEU  118  far    0    87   0   -  6.0-6.7
      HE22  GLN   59 - QD2   LEU  118  far    0    93   0   -  6.1-7.4
      HZ    PHE   92 - QD2   LEU  118  far    0    99   0   -  6.6-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3915 from c13no.peaks (7.48, 0.91, 23.43 ppm; 4.43 A):
    1 out of 3 assignments used, quality = 0.82:
      HE21  GLN  107 + QD2   LEU  118  OK    82   100  83 100  3.6-4.8   2.3/3934=85, ~1244=61, 4.0/3933=61, 1239/3.1=53...(14)
      H     SER  111 - QD2   LEU  118  far    0    65   0   -  5.0-5.3
      H     GLN  107 - QD2   LEU  118  far    0    85   0   -  5.2-5.6
    Violated in 1 structures by 0.02 A.
 
    Peak 3916 from c13no.peaks (7.84, 0.91, 23.43 ppm; 3.54 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU  118 + QD2   LEU  118  OK    99    99 100 100  1.9-2.2   1305=99, 3921/2.1=64, 3912/2.1=64, 2.9/530=55...(11)
      H     GLU  114 - QD2   LEU  118  far    0    97   0   -  4.9-5.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3917 from c13no.peaks (7.96, 0.91, 23.43 ppm; 4.06 A):
    1 out of 4 assignments used, quality = 0.99:
      H     ALA  115 + QD2   LEU  118  OK    99    99 100 100  3.3-3.5   1286=97, 3704/3689=65, 2.9/3937=65, 3913/2.1=55...(16)
      H     GLY  121 - QD2   LEU  118  far    0    97   0   -  5.8-5.9
      H     VAL  104 - QD2   LEU  118  far    0    97   0   -  6.2-6.7
      H     GLY  128 - QD2   LEU  118  far    0    92   0   -  8.1-20.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3919 from c13no.peaks (6.90, 0.93, 26.66 ppm; 5.09 A):
    1 out of 4 assignments used, quality = 1.00:
      HE22  GLN  107 + QD1   LEU  118  OK   100   100 100 100  2.1-3.8   2.3/3936=94, ~3934=70, 4.0/3935=69, 3914/2.1=69...(14)
      QD    PHE   92 - QD1   LEU  118  far    4    87   5   -  5.0-5.9
      HZ    PHE   92 - QD1   LEU  118  far    0    99   0   -  5.6-6.1
      HE22  GLN   59 - QD1   LEU  118  far    0    93   0   -  7.2-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3920 from c13no.peaks (7.48, 0.93, 26.66 ppm; 4.61 A):
    2 out of 3 assignments used, quality = 1.00:
      HE21  GLN  107 + QD1   LEU  118  OK   100   100 100 100  2.3-3.4   2.3/3936=85, 3915/2.1=78, 1.7/3919=67, 489/3941=60...(13)
      H     GLN  107 + QD1   LEU  118  OK    84    85 100  99  4.2-4.5   3.2/3935=68, 1232/3936=57, ~3933=47, 528/3941=38...(9)
      H     SER  111 - QD1   LEU  118  far    0    65   0   -  5.9-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3921 from c13no.peaks (7.84, 0.93, 26.66 ppm; 3.68 A):
    1 out of 2 assignments used, quality = 0.99:
      H     LEU  118 + QD1   LEU  118  OK    99    99 100 100  3.5-3.6   1305/2.1=76, 3912/2.1=69, 531/1313=60, 1303/3.1=58...(12)
      H     GLU  114 - QD1   LEU  118  far    0    97   0   -  6.4-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3922 from c13no.peaks (7.96, 0.93, 26.66 ppm; 4.07 A):
    1 out of 4 assignments used, quality = 0.79:
      H     VAL  104 + QD1   LEU  118  OK    79   100  93  86  3.7-4.2   3.0/3941=67, ~3938=32, ~3586=24, 4.0/3930=17
      H     ALA  115 - QD1   LEU  118  far    0    90   0   -  4.3-4.5
      H     GLY  121 - QD1   LEU  118  far    0   100   0   -  5.8-6.2
      H     GLY  128 - QD1   LEU  118  far    0    76   0   -  8.5-19.4
    Violated in 2 structures by 0.02 A.
 
    Peak 3923 from c13no.peaks (8.13, 0.93, 26.66 ppm; 4.43 A):
    0 out of 3 assignments used, quality = 0.00:
      H     LEU   93 + QD1   LEU  118  far    0   100   0   -  7.1-7.7
      H     LEU   45 + QD1   LEU  418  far    0    83   0   -  8.7-26.3
      H     LEU   62 + QD1   LEU  118  far    0    97   0   -  9.9-10.8
    Violated in 20 structures by 2.84 A.
 
    Peak 3924 from c13no.peaks (4.46, 0.93, 26.66 ppm; 4.89 A increased from 4.12 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    PRO  109 + QD1   LEU  118  OK    99   100 100 100  4.5-4.7   ~3689=76, 3.6/3940=71, ~3685=67, 3.6/3670=29...(10)
      HA    PRO  126 - QD1   LEU  118  far    0    83   0   -  9.0-16.5
      HA    GLU   41 - QD1   LEU  418  far    0    98   0   -  9.7-25.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3925 from c13no.peaks (0.93, 1.93, 26.98 ppm; 2.58 A):
    2 out of 5 assignments used, quality = 1.00:
      QD1   LEU  118 + HG    LEU  118  OK   100   100 100 100  2.1-2.1   2.1=100
      QD2   LEU  118 + HG    LEU  118  OK    85    85 100 100  2.1-2.1   2.1=100
      QD1   LEU   93 - HG    LEU  118  far    0   100   0   -  6.2-6.8
      HB3   LEU   96 - HG    LEU  118  far    0    93   0   -  9.0-9.5
      QG1   VAL   88 - HG    LEU  118  far    0    65   0   -  9.6-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3926 from c13no.peaks (0.91, 1.93, 26.98 ppm; 2.58 A):
    2 out of 6 assignments used, quality = 1.00:
      QD2   LEU  118 + HG    LEU  118  OK   100   100 100 100  2.1-2.1   2.1=100
      QD1   LEU  118 + HG    LEU  118  OK    90    90 100 100  2.1-2.1   2.1=100
      QG2   ILE  100 - HG    LEU  118  far    0    90   0   -  5.3-5.6
      QD1   LEU   93 - HG    LEU  118  far    0    85   0   -  6.2-6.8
      HB3   LEU   96 - HG    LEU  118  far    0   100   0   -  9.0-9.5
      QG1   VAL   88 - HG    LEU  118  far    0    98   0   -  9.6-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3927 from c13no.peaks (1.47, 1.93, 26.98 ppm; 3.64 A):
    1 out of 1 assignment used, quality = 1.00:
      HB3   LEU  118 + HG    LEU  118  OK   100   100 100 100  2.7-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3928 from c13no.peaks (1.47, 0.93, 26.66 ppm; 3.25 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LEU  118 + QD1   LEU  118  OK   100   100 100 100  1.9-2.0   3.1=100
      QB    ALA  102 - QD1   LEU  118  far    0    81   0   -  7.1-7.5
      QB    ALA   42 - QD1   LEU  418  far    0    73   0   -  8.9-01.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3929 from c13no.peaks (1.94, 0.91, 23.43 ppm; 2.79 A):
    1 out of 9 assignments used, quality = 1.00:
      HG    LEU  118 + QD2   LEU  118  OK   100   100 100 100  2.1-2.1   2.1=100
      HB    VAL  104 - QD2   LEU  118  far    0    65   0   -  4.3-4.9
      HB3   ARG  103 - QD2   LEU  118  far    0    78   0   -  6.5-7.6
      HG    LEU  122 - QD2   LEU  118  far    0   100   0   -  6.6-6.8
      HB3   GLU  113 - QD2   LEU  118  far    0    83   0   -  6.8-7.1
      HB2   LEU   93 - QD2   LEU  118  far    0    99   0   -  7.1-8.4
      QB    ARG   46 - QD2   LEU  418  far    0    93   0   -  9.6-14.3
      HB3   GLU  125 - QD2   LEU  118  far    0   100   0   -  9.6-14.2
      HB3   GLN  101 - QD2   LEU  118  far    0    96   0   -  9.9-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3930 from c13no.peaks (1.94, 0.93, 26.66 ppm; 2.62 A):
    2 out of 8 assignments used, quality = 1.00:
      HG    LEU  118 + QD1   LEU  118  OK   100   100 100 100  2.1-2.1   2.1=100
      HB    VAL  104 + QD1   LEU  118  OK    33    65 100  50  2.0-2.4   3.0/3941=27, 4.0/3922=18, ~3938=11, ~3586=7
      HB3   ARG  103 - QD1   LEU  118  far    0    78   0   -  4.2-5.2
      HG    LEU  122 - QD1   LEU  118  far    0   100   0   -  4.9-5.4
      HB2   LEU   93 - QD1   LEU  118  far    0    99   0   -  6.0-7.2
      HB3   GLN  101 - QD1   LEU  118  far    0    96   0   -  7.5-7.9
      HB3   GLU  113 - QD1   LEU  118  far    0    83   0   -  8.5-8.9
      HB3   GLU  125 - QD1   LEU  118  far    0   100   0   -  9.1-13.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3931 from c13no.peaks (2.12, 0.93, 26.66 ppm; 3.01 A):
    2 out of 8 assignments used, quality = 0.99:
      HB2   LEU  118 + QD1   LEU  118  OK    98   100 100  98  2.7-2.8   3.1=92, 1303/3921=33, 4.6/1313=23, ~530=19...(7)
      HG2   PRO  109 + QD1   LEU  118  OK    45    92  55  90  2.3-4.1   2.3/3940=35, ~3689=28, ~3685=24, 3.8/3924=19...(14)
      QB    GLU  114 - QD1   LEU  118  far    0    99   0   -  4.4-4.6
      QB    GLN  105 - QD1   LEU  118  far    0    68   0   -  6.0-6.5
      HG3   PRO   97 - QD1   LEU  118  far    0    81   0   -  8.1-9.4
      HB2   PRO  112 - QD1   LEU  118  far    0    76   0   -  8.5-8.9
      QG    GLU   90 - QD1   LEU  118  far    0    85   0   -  9.3-10.6
      QB    GLN   59 - QD1   LEU  118  far    0    97   0   -  9.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3932 from c13no.peaks (2.13, 0.91, 23.43 ppm; 3.31 A):
    3 out of 8 assignments used, quality = 1.00:
      HB2   LEU  118 + QD2   LEU  118  OK    99    99 100 100  2.1-2.2   3.1=100
      QB    GLU  114 + QD2   LEU  118  OK    86    95 100  91  2.7-2.9   3880=44, 3859/1286=32, 2.5/3882=28, 477/3689=23...(9)
      HG2   PRO  109 + QD2   LEU  118  OK    44    81  55  98  2.6-4.2   2.3/3689=69, 2.3/3685=53, 2.3/3939=30, 2.3/3670=29...(15)
      HB2   PRO  112 - QD2   LEU  118  far    0    60   0   -  8.1-8.4
      QB    GLN   59 - QD2   LEU  118  far    0    89   0   -  9.1-9.7
      QB    GLU   85 - QD2   LEU  118  far    0   100   0   -  9.3-9.7
      QG    GLU   90 - QD2   LEU  418  far    0    95   0   -  9.9-24.6
      QG    GLU   90 - QD2   LEU  118  far    0    95   0   -  9.9-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3933 from c13no.peaks (2.30, 0.91, 23.43 ppm; 3.75 A increased from 3.53 A):
    1 out of 3 assignments used, quality = 0.94:
      QB    GLN  107 + QD2   LEU  118  OK    94   100  95  99  2.6-3.8   2.1/3934=70, 3935/2.1=58, 3615=49, ~3936=40...(15)
      QG    GLU  125 - QD2   LEU  118  far    0   100   0   -  8.9-13.8
      HB2   PRO  126 - QD2   LEU  118  far    0    97   0   -  9.7-18.9
    Violated in 2 structures by 0.02 A.
 
    Peak 3934 from c13no.peaks (2.44, 0.91, 23.43 ppm; 3.71 A):
    1 out of 3 assignments used, quality = 0.97:
      QG    GLN  107 + QD2   LEU  118  OK    97   100  98 100  2.2-3.8   2.1/3933=68, 3936/2.1=64, 3618=58, 2.3/3915=50...(15)
      HG2   GLU  113 - QD2   LEU  118  far    0    65   0   -  8.4-8.8
      HG3   GLN   59 - QD2   LEU  118  far    0    97   0   -  8.4-9.4
    Violated in 1 structures by 0.00 A.
 
    Peak 3935 from c13no.peaks (2.30, 0.93, 26.66 ppm; 4.22 A increased from 3.38 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    GLN  107 + QD1   LEU  118  OK   100   100 100 100  2.6-4.1   3933/2.1=83, 2.1/3936=79, ~3934=53, 3615=45...(13)
      HG2   PRO   97 - QD1   LEU  118  far    0    87   0   -  8.1-9.4
      QG    GLU  125 - QD1   LEU  118  far    0   100   0   -  8.1-13.1
      HB2   PRO  126 - QD1   LEU  118  far    0    97   0   -  9.3-17.5
    Violated in 2 structures by 0.01 A.
 
    Peak 3936 from c13no.peaks (2.44, 0.93, 26.66 ppm; 3.93 A increased from 3.70 A):
    1 out of 3 assignments used, quality = 1.00:
      QG    GLN  107 + QD1   LEU  118  OK   100   100 100 100  2.4-3.9   3934/2.1=76, 2.1/3935=64, ~3933=46, 2.3/1244=43...(17)
      HG3   GLN   59 - QD1   LEU  118  far    0    97   0   -  9.5-10.0
      HG2   GLU  113 - QD1   LEU  118  far    0    65   0   -  9.5-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3937 from c13no.peaks (3.95, 0.91, 23.43 ppm; 3.83 A):
    1 out of 10 assignments used, quality = 0.93:
      HA    ALA  115 + QD2   LEU  118  OK    93    93 100 100  1.9-2.0   3942/2.1=80, 3888/2.1=65, 2.9/3917=54, 586/1305=53...(14)
      HA    ALA  116 - QD2   LEU  118  far    0    68   0   -  5.3-5.5
      QA    GLY  121 - QD2   LEU  118  far    0    68   0   -  6.1-6.3
      HA    PRO  112 - QD2   LEU  118  far    0    60   0   -  6.4-6.8
      HA    GLN  105 - QD2   LEU  118  far    0    76   0   -  6.8-7.6
      QA    GLY  106 - QD2   LEU  118  far    0   100   0   -  6.9-7.3
      QA    GLY  127 - QD2   LEU  118  far    0    89   0   -  7.8-18.3
      HA    LEU   89 - QD2   LEU  118  far    0    92   0   -  8.1-8.6
      HA    GLN   59 - QD2   LEU  118  far    0   100   0   -  8.9-9.4
      HA    ARG   46 - QD2   LEU  418  far    0    57   0   -  8.9-29.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3938 from c13no.peaks (3.81, 0.91, 23.43 ppm; 4.71 A increased from 3.96 A):
    1 out of 8 assignments used, quality = 0.87:
      HA    VAL  104 + QD2   LEU  118  OK    87    89 100  99  4.1-4.6   3586/3.1=56, 3941/2.1=52, 3588/3934=52, ~3922=49...(7)
      HA    GLU  113 - QD2   LEU  118  far    0    90   0   -  6.7-6.7
      QA    GLY  128 - QD2   LEU  118  far    0    73   0   -  6.7-18.9
      HA3   GLY  110 - QD2   LEU  118  far    0   100   0   -  6.7-7.1
      HD3   PRO  112 - QD2   LEU  118  far    0    99   0   -  8.3-8.6
      HA    ARG   48 - QD2   LEU  418  far    0    83   0   -  8.5-34.4
      HD2   PRO  126 - QD2   LEU  118  far    0    99   0   -  9.3-16.1
      HD3   PRO   58 - QD2   LEU  118  far    0   100   0   -  9.4-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3939 from c13no.peaks (3.64, 0.91, 23.43 ppm; 4.89 A increased from 4.35 A):
    1 out of 1 assignment used, quality = 0.76:
      HD2   PRO  109 + QD2   LEU  118  OK    76    76 100 100  4.3-4.7   3.0/3689=93, 3940/2.1=91, 3.0/3685=85, 1.8/3670=54...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 3940 from c13no.peaks (3.64, 0.93, 26.66 ppm; 4.12 A increased from 3.66 A):
    1 out of 1 assignment used, quality = 0.75:
      HD2   PRO  109 + QD1   LEU  118  OK    75    76 100  99  3.7-3.9   3939/2.1=54, ~3689=45, 3.6/3924=43, ~3685=40...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 3941 from c13no.peaks (3.79, 0.93, 26.66 ppm; 3.70 A):
    1 out of 8 assignments used, quality = 0.93:
      HA    VAL  104 + QD1   LEU  118  OK    93    99 100  93  2.0-2.5   3.0/3922=50, 3586/3.1=38, 3588/3936=34, 488/3919=26...(8)
      HA    LEU   45 - QD1   LEU  418  far    0    63   0   -  7.5-28.2
      HA3   GLY  110 - QD1   LEU  118  far    0    63   0   -  7.5-7.7
      HA    GLU  113 - QD1   LEU  118  far    0    99   0   -  7.8-7.9
      HD2   PRO   97 - QD1   LEU  118  far    0    65   0   -  8.6-9.1
      HD3   PRO  112 - QD1   LEU  118  far    0    92   0   -  8.8-9.1
      HA2   GLY   94 - QD1   LEU  118  far    0   100   0   -  8.9-9.7
      HD3   PRO   58 - QD1   LEU  118  far    0    73   0   -  9.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3942 from c13no.peaks (3.94, 0.93, 26.66 ppm; 3.33 A):
    1 out of 7 assignments used, quality = 0.95:
      HA    ALA  115 + QD1   LEU  118  OK    95    99 100  96  2.0-2.3   3937/2.1=53, 3888/2.1=53, 586/3921=37, ~3917=23...(11)
      HA    ALA  116 - QD1   LEU  118  far    0    83   0   -  4.9-5.3
      HA    GLN  105 - QD1   LEU  118  far    0    60   0   -  5.4-5.9
      QA    GLY  106 - QD1   LEU  118  far    0    99   0   -  5.7-6.3
      QA    GLY  127 - QD1   LEU  118  far    0    76   0   -  7.5-17.3
      HA    LEU   89 - QD1   LEU  118  far    0    98   0   -  7.9-8.4
      HA    GLN   59 - QD1   LEU  118  far    0    97   0   -  9.4-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3943 from c13no.peaks (3.49, 1.93, 26.98 ppm; 4.70 A increased from 4.42 A):
    1 out of 1 assignment used, quality = 0.97:
      HA    VAL  119 + HG    LEU  118  OK    97   100 100  98  4.5-4.7   ~1313=54, 5.3/528=49, ~1311=42, ~1310=38...(8)
    Violated in 4 structures by 0.00 A.
 
    Peak 3944 from c13no.peaks (1.90, 3.49, 67.15 ppm; 3.95 A):
    0 out of 5 assignments used, quality = 0.00:
      HB3   ARG  103 + HA    VAL  119  far    0    85   0   -  5.2-5.9
      HG    LEU   96 + HA    VAL  119  far    0    76   0   -  5.8-7.4
      HB2   ARG  124 + HA    VAL  119  far    0   100   0   -  8.0-11.4
      QB    ALA   61 + HA    VAL  119  far    0   100   0   -  8.8-9.3
      HB3   PRO  109 + HA    VAL  119  far    0    97   0   -  9.6-10.1
    Violated in 20 structures by 1.37 A.
 
    Peak 3945 from c13no.peaks (1.58, 3.49, 67.15 ppm; 5.48 A increased from 4.61 A):
    2 out of 2 assignments used, quality = 0.99:
      HB3   LEU  122 + HA    VAL  119  OK    99    99 100 100  4.7-5.2   1879=98, 1.8/1882=97, 3.1/4006=96, 3.0/4002=90...(7)
      HG12  ILE  100 + HA    VAL  119  OK    62   100  63 100  5.3-5.9   2.1/2730=87, 3953/3958=82, 3468/3947=55, ~1610=55...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 3946 from c13no.peaks (0.90, 3.49, 67.15 ppm; 3.18 A):
    3 out of 7 assignments used, quality = 0.96:
      QG2   ILE  100 + HA    VAL  119  OK    82   100 100  82  2.7-3.1   1610/3.2=48, 3.0/2730=28, 1609/3947=25, 3465/3948=20...(7)
      QD1   LEU  122 + HA    VAL  119  OK    58    63 100  93  1.9-2.3   4006=51, 2.1/4002=41, 3.1/1882=30, 1329/616=29...(8)
      QD1   ILE  100 + HA    VAL  119  OK    50    89  88  65  2.6-3.5   2730=30, 3472/3948=17, ~3953=17, ~1610=13...(6)
      QD2   LEU  122 - HA    VAL  119  poor  20    60  33   -  2.9-3.6
      QQG   VAL  104 - HA    VAL  119  far    0    71   0   -  5.0-5.4
      QD2   LEU  118 - HA    VAL  119  far    0    87   0   -  5.6-5.8
      HB3   LEU   96 - HA    VAL  119  far    0    76   0   -  7.0-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3947 from c13no.peaks (0.55, 3.49, 67.15 ppm; 4.95 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   96 + HA    VAL  119  OK    99    99 100 100  4.2-4.8   3319/3958=89, 1754/3.2=83, 2.1/3948=66, 1314/3.0=60...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3948 from c13no.peaks (-0.08, 3.49, 67.15 ppm; 5.42 A):
    1 out of 1 assignment used, quality = 0.85:
      QD2   LEU   96 + HA    VAL  119  OK    85    99  85 100  4.5-5.6   1744/3958=95, 1753/3.2=92, 2.1/3947=87, 3472/2730=73...(12)
    Violated in 3 structures by 0.03 A.
 
    Peak 3949 from c13no.peaks (-0.07, 1.09, 24.72 ppm; 3.29 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + QG1   VAL  119  OK   100   100 100 100  2.1-2.8   1744=92, 2.1/3951=67, 1753/2.1=61, 2.1/3952=46...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 3950 from c13no.peaks (0.28, 1.09, 24.72 ppm; 4.14 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   62 + QG1   VAL  119  far    0   100   0   -  5.8-6.7
    Violated in 20 structures by 2.14 A.
 
    Peak 3951 from c13no.peaks (0.53, 1.09, 24.72 ppm; 3.20 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   96 + QG1   VAL  119  OK    99    99 100 100  1.8-2.2   3319=87, 2.1/3949=62, 2.1/3952=43, 165/163=35...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3952 from c13no.peaks (1.85, 1.09, 24.72 ppm; 4.07 A increased from 3.43 A):
    1 out of 4 assignments used, quality = 0.85:
      HG    LEU   96 + QG1   VAL  119  OK    85    85 100 100  3.1-3.9   2.1/3951=89, 2.1/3949=88, ~1753=52, ~1754=49...(7)
      HB2   LEU  122 - QG1   VAL  119  far    0    99   0   -  5.3-5.6
      HG2   ARG  103 - QG1   VAL  119  far    0    78   0   -  5.5-6.8
      HG2   GLN   91 - QG1   VAL  119  far    0    89   0   -  9.6-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 3953 from c13no.peaks (1.58, 1.09, 24.72 ppm; 4.63 A increased from 3.90 A):
    1 out of 3 assignments used, quality = 0.98:
      HG12  ILE  100 + QG1   VAL  119  OK    98   100 100  98  4.2-4.5   3468/3951=57, 3469/3949=55, 3.2/1610=55, ~2730=42...(8)
      HB3   LEU  122 - QG1   VAL  119  far    0    99   0   -  6.0-6.4
      QB    ALA   63 - QG1   VAL  119  far    0    63   0   -  9.2-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3955 from c13no.peaks (1.95, 0.98, 21.81 ppm; 4.78 A increased from 3.83 A):
    3 out of 10 assignments used, quality = 0.97:
      HG    LEU  122 + QG2   VAL  119  OK    86    87 100  99  3.5-4.8   4002/3.2=64, ~4006=53, 3988/3978=43, ~1882=36...(13)
      QB    ARG  123 + QG2   VAL  119  OK    66    81  85  97  3.2-5.9   2.2/4025=91, 4031/1761=34, 5.9/3978=33, ~4028=19
      HG    LEU  118 + QG2   VAL  119  OK    41    87  50  95  3.5-5.4   3943/3.2=56, 5.3/3979=49, 888/6.1=34, 3912/6.6=30...(7)
      HB    VAL  104 - QG2   VAL  119  far    0    95   0   -  5.4-5.9
      HB3   GLU  125 - QG2   VAL  119  far    0    89   0   -  7.1-11.3
      HB2   LEU   93 - QG2   VAL  119  far    0    78   0   -  7.1-8.6
      HB3   PRO  126 - QG2   VAL  119  far    0    60   0   -  8.1-14.4
      HB2   GLU   53 - QG2   VAL  119  far    0    81   0   -  8.3-9.6
      HB3   GLN  101 - QG2   VAL  119  far    0   100   0   -  8.6-9.7
      HB2   LEU   65 - QG2   VAL  119  far    0    99   0   -  9.4-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3956 from c13no.peaks (1.85, 0.98, 21.81 ppm; 3.82 A):
    0 out of 4 assignments used, quality = 0.00:
      HG    LEU   96 + QG2   VAL  119  far    6    85   8   -  3.8-5.2
      HB2   LEU  122 + QG2   VAL  119  far    0    99   0   -  5.8-6.4
      HG2   ARG  103 + QG2   VAL  119  far    0    78   0   -  6.3-8.6
      HG2   GLN   91 + QG2   VAL  119  far    0    89   0   -  9.7-11.9
    Violated in 19 structures by 0.73 A.
 
    Peak 3957 from c13no.peaks (2.79, 0.98, 21.81 ppm; 4.80 A):
    2 out of 2 assignments used, quality = 0.93:
      HB2   ASP  120 + QG2   VAL  119  OK    89    89 100 100  2.8-3.9   1491=84, 804/806=81, 3.0/1761=78, 1.8/1488=66...(10)
      QB    TYR   52 + QG2   VAL  119  OK    42   100  43  98  4.7-5.4   2.1/250=80, 3.9/238=72, 1749/1753=69
    Violated in 0 structures by 0.00 A.
 
    Peak 3958 from c13no.peaks (3.49, 1.09, 24.72 ppm; 3.12 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    VAL  119 + QG1   VAL  119  OK   100   100 100 100  2.1-2.4   3.2=93, 3.0/3969=51, 3.6/807=29, 3947/3319=22...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3959 from c13no.peaks (3.92, 1.09, 24.72 ppm; 3.61 A):
    1 out of 4 assignments used, quality = 0.98:
      HA    ALA  116 + QG1   VAL  119  OK    98    98 100  99  2.8-3.3   3960/2.1=69, 1759/2.1=58, 3883=57, 3892/3972=44...(13)
      HA    ALA  115 - QG1   VAL  119  far   12    81  15   -  3.6-3.9
      HA    LEU   89 - QG1   VAL  119  far    0    83   0   -  7.8-8.2
      HD2   PRO   98 - QG1   VAL  119  far    0    87   0   -  8.8-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3960 from c13no.peaks (3.92, 2.27, 32.13 ppm; 3.56 A):
    1 out of 2 assignments used, quality = 0.47:
      HA    ALA  116 + HB    VAL  119  OK    47    98  50  97  2.5-4.6   3959/2.1=66, 1759/2.1=56, 624/3968=32, 3892/3966=31...(10)
      HA    ALA  115 - HB    VAL  119  far    0    81   0   -  5.0-6.8
    Violated in 8 structures by 0.40 A.
 
    Peak 3962 from c13no.peaks (4.53, 2.27, 32.13 ppm; 3.68 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 3963 from c13no.peaks (7.65, 3.49, 67.15 ppm; 4.74 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU  122 + HA    VAL  119  OK   100   100 100 100  3.5-3.8   616=99, 1329/4006=81, 1324/4002=76, 592/621=66...(11)
      HE21  GLN  101 - HA    VAL  119  far    0    60   0   -  9.2-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3964 from c13no.peaks (7.90, 3.49, 67.15 ppm; 3.76 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL  119 + HA    VAL  119  OK   100   100 100 100  2.8-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3965 from c13no.peaks (8.40, 3.49, 67.15 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 0.95:
      H     ASP  120 + HA    VAL  119  OK    95    95 100 100  3.5-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3966 from c13no.peaks (6.90, 2.27, 32.13 ppm; 4.66 A):
    1 out of 4 assignments used, quality = 0.99:
      HZ    PHE   92 + HB    VAL  119  OK    99    99 100 100  2.8-4.4   174/2.1=95, 181/2.1=91, 3892/3960=69, ~163=64...(11)
      HE22  GLN   59 - HB    VAL  119  far    0    90   0   -  5.3-8.1
      QD    PHE   92 - HB    VAL  119  far    0    83   0   -  5.7-6.8
      HE22  GLN  107 - HB    VAL  119  far    0   100   0   -  7.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3967 from c13no.peaks (7.90, 2.27, 32.13 ppm; 3.63 A increased from 3.41 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL  119 + HB    VAL  119  OK   100   100 100 100  2.3-3.6   1312/2.1=81, 1309=79, 3979/2.1=61, 599/3968=44...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 3968 from c13no.peaks (8.40, 2.27, 32.13 ppm; 4.01 A increased from 3.78 A):
    1 out of 2 assignments used, quality = 0.94:
      H     ASP  120 + HB    VAL  119  OK    94    95 100 100  2.4-3.8   3981/2.1=73, 4.5=73, 3970/2.1=67, 599/3967=59...(12)
      H     ALA   55 - HB    VAL  119  far    0   100   0   -  8.9-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3969 from c13no.peaks (7.91, 1.09, 24.72 ppm; 3.01 A):
    1 out of 2 assignments used, quality = 0.99:
      H     VAL  119 + QG1   VAL  119  OK    99    99 100 100  2.0-2.6   1312=96, 3.0/3958=46, 3967/2.1=44, 3979/2.1=39...(17)
      H     GLN   91 - QG1   VAL  119  far    0    99   0   -  9.6-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3970 from c13no.peaks (8.40, 1.09, 24.72 ppm; 4.18 A increased from 3.94 A):
    1 out of 2 assignments used, quality = 0.95:
      H     ASP  120 + QG1   VAL  119  OK    95    95 100 100  3.9-4.0   807=94, 3981/2.1=79, 3968/2.1=76, 599/3969=73...(14)
      H     ALA   55 - QG1   VAL  119  far    0   100   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3972 from c13no.peaks (6.91, 1.09, 24.72 ppm; 3.55 A):
    1 out of 5 assignments used, quality = 0.92:
      HZ    PHE   92 + QG1   VAL  119  OK    92    92 100 100  2.4-3.4   174=92, 2.2/163=66, 181/2.1=57, 3892/3959=42...(16)
      QD    PHE   92 - QG1   VAL  119  far    0    97   0   -  3.9-4.4
      HE22  GLN  107 - QG1   VAL  119  far    0    99   0   -  4.9-6.4
      HE22  GLN   59 - QG1   VAL  119  far    0    99   0   -  6.0-6.9
      H     LEU   96 - QG1   VAL  119  far    0    63   0   -  6.1-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3973 from c13no.peaks (7.05, 1.09, 24.72 ppm; 3.61 A):
    1 out of 2 assignments used, quality = 0.99:
      QE    PHE   92 + QG1   VAL  119  OK    99    99 100 100  2.0-2.6   163=99, 2.2/174=69, 165/3951=48, 3977/2.1=45...(18)
      HD2   HIS   51 - QG1   VAL  119  far    0    85   0   -  8.9-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3974 from c13no.peaks (6.55, 0.98, 21.81 ppm; 4.11 A):
    1 out of 1 assignment used, quality = 0.96:
      QE    TYR   52 + QG2   VAL  119  OK    96    96 100 100  2.3-3.2   238=94, 2.2/250=61, 240/1753=59, 3975/2.1=49...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 3975 from c13no.peaks (6.55, 1.09, 24.72 ppm; 5.13 A):
    1 out of 1 assignment used, quality = 0.96:
      QE    TYR   52 + QG1   VAL  119  OK    96    96 100 100  3.2-4.4   238/2.1=95, 240/3949=83, 109/163=78, 115/174=75...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 3976 from c13no.peaks (6.91, 0.98, 21.81 ppm; 3.97 A):
    1 out of 5 assignments used, quality = 0.92:
      HZ    PHE   92 + QG2   VAL  119  OK    92    92 100 100  1.9-3.2   181=89, 3972/2.1=80, 2.2/3977=58, 3966/2.1=52...(17)
      HE22  GLN   59 - QG2   VAL  119  far    0    99   0   -  4.2-6.2
      QD    PHE   92 - QG2   VAL  119  far    0    97   0   -  4.5-5.5
      HE22  GLN  107 - QG2   VAL  119  far    0    99   0   -  6.8-8.2
      H     LEU   96 - QG2   VAL  119  far    0    63   0   -  7.0-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3977 from c13no.peaks (7.05, 0.98, 21.81 ppm; 4.50 A):
    1 out of 3 assignments used, quality = 1.00:
      QE    PHE   92 + QG2   VAL  119  OK   100   100 100 100  2.6-3.9   163/2.1=92, 2.2/181=85, 167/1753=64, ~174=61...(18)
      HD2   HIS   51 - QG2   VAL  119  far    0    97   0   -  8.2-9.6
      QD    PHE   50 - QG2   VAL  119  far    0    76   0   -  8.7-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 3978 from c13no.peaks (7.65, 0.98, 21.81 ppm; 5.33 A increased from 5.02 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU  122 + QG2   VAL  119  OK   100   100 100 100  4.7-5.1   616/3.2=87, 1328/2.1=78, 594/806=73, 614/1761=56...(13)
      HE21  GLN  101 - QG2   VAL  119  far    0    60   0   -  7.8-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 3979 from c13no.peaks (7.90, 0.98, 21.81 ppm; 3.90 A increased from 3.67 A):
    1 out of 1 assignment used, quality = 1.00:
      H     VAL  119 + QG2   VAL  119  OK   100   100 100 100  2.0-3.7   4.0=91, 1312/2.1=89, 3967/2.1=76, 599/806=58...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 3981 from c13no.peaks (8.40, 0.98, 21.81 ppm; 3.89 A):
    1 out of 2 assignments used, quality = 0.95:
      H     ASP  120 + QG2   VAL  119  OK    95    95 100 100  2.0-3.0   806=95, 3968/2.1=67, 3970/2.1=63, 2.9/1761=57...(15)
      H     ALA   55 - QG2   VAL  119  far    0   100   0   -  7.0-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 3982 from c13no.peaks (7.65, 3.98, 46.40 ppm; 4.29 A):
    1 out of 4 assignments used, quality = 1.00:
      H     LEU  122 + QA    GLY  121  OK   100   100 100 100  2.7-2.8   2.5=100
      HE21  GLN   59 - QA    GLY  121  far    0    57   0   -  6.4-7.3
      HE21  GLN  101 - QA    GLY  106  far    0    39   0   -  8.9-10.6
      H     PHE   47 - QA    GLY  421  far    0   100   0   -  9.7-39.5
    Violated in 0 structures by 0.00 A.
 
    Peak 3983 from c13no.peaks (7.97, 3.98, 46.40 ppm; 3.63 A):
    1 out of 5 assignments used, quality = 0.99:
      H     GLY  121 + QA    GLY  121  OK    99    99 100 100  2.2-2.2   2.5=100
      H     VAL  104 - QA    GLY  106  far    0    69   0   -  5.6-6.0
      H     GLU   41 - QA    GLY  421  far    0    98   0   -  7.0-34.3
      H     VAL  104 - QA    GLY  121  far    0    99   0   -  9.4-10.1
      H     LEU   73 - QA    GLY  421  far    0    83   0   -  9.9-38.4
    Violated in 0 structures by 0.00 A.
 
    Peak 3984 from c13no.peaks (7.65, 4.31, 56.18 ppm; 3.71 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU  122 + HA    LEU  122  OK   100   100 100 100  2.8-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 3985 from c13no.peaks (7.79, 4.31, 56.18 ppm; 3.55 A):
    1 out of 1 assignment used, quality = 0.98:
      H     ARG  123 + HA    LEU  122  OK    98    98 100 100  3.2-3.3   3.6=99, 603/3.0=58, 1302/564=41, 1884/3.0=29...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 3986 from c13no.peaks (7.66, 1.85, 42.42 ppm; 3.62 A):
    1 out of 1 assignment used, quality = 0.97:
      H     LEU  122 + HB2   LEU  122  OK    97    97 100 100  2.3-2.6   1326=86, 1324/3.0=66, 1327/1.8=66, 3995/3.1=58...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 3987 from c13no.peaks (7.64, 1.57, 42.42 ppm; 4.00 A):
    1 out of 1 assignment used, quality = 1.00:
      H     LEU  122 + HB3   LEU  122  OK   100   100 100 100  3.6-3.6   1327=98, 1326/1.8=97, 1324/3.0=79, 1329/4013=71...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 3988 from c13no.peaks (7.65, 1.93, 26.66 ppm; 3.82 A):
    1 out of 2 assignments used, quality = 1.00:
      H     LEU  122 + HG    LEU  122  OK   100   100 100 100  2.2-2.6   1324=99, 1329/2.1=81, 1326/3.0=74, 3991/2.1=62...(16)
      HE21  GLN   59 - HG    LEU  122  far    0    57   0   -  8.8-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 3989 from c13no.peaks (7.83, 1.93, 26.66 ppm; 4.20 A):
    1 out of 2 assignments used, quality = 0.60:
      H     ARG  123 + HG    LEU  122  OK    60    60 100 100  2.9-3.3   593/1324=72, 3992/2.1=72, 3.6/563=60, 1881/3.0=48...(18)
      H     LEU  118 - HG    LEU  122  far    0   100   0   -  6.4-6.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3990 from c13no.peaks (7.93, 1.93, 26.66 ppm; 4.65 A):
    0 out of 2 assignments used, quality = 0.00:
      H     GLY  128 + HG    LEU  122  far    0    99   0   -  8.6-16.7
      H     GLU   41 + HG    LEU  422  far    0    60   0   -  9.8-45.6
    Violated in 20 structures by 8.55 A.
 
    Peak 3991 from c13no.peaks (7.65, 0.87, 23.10 ppm; 4.13 A increased from 3.89 A):
    1 out of 3 assignments used, quality = 1.00:
      H     LEU  122 + QD2   LEU  122  OK   100   100 100 100  3.6-3.9   1324/2.1=95, 1329/2.1=89, 1326/3.1=80, 3.0/565=71...(21)
      HE21  GLN  101 - QD2   LEU  122  far    0    65   0   -  8.6-9.9
      HE21  GLN   59 - QD2   LEU  122  far    0    57   0   -  9.2-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3992 from c13no.peaks (7.83, 0.87, 23.10 ppm; 4.21 A):
    1 out of 4 assignments used, quality = 0.60:
      H     ARG  123 + QD2   LEU  122  OK    60    60 100 100  3.3-3.7   2.9/934=81, 3989/2.1=72, 3.6/565=64, 5.0=60...(14)
      H     GLN   82 - QD2   LEU   86  far    0    65   0   -  5.8-6.7
      H     LEU  118 - QD2   LEU  122  far    0   100   0   -  7.2-7.4
      H     GLU  114 - QD2   LEU   86  far    0    77   0   -  9.2-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 3994 from c13no.peaks (7.36, 0.87, 26.66 ppm; 4.89 A increased from 4.60 A):
    1 out of 2 assignments used, quality = 0.91:
      H     ARG  103 + QD1   LEU  122  OK    91    99 100  92  4.1-4.7   3560/4007=61, 3566/3556=46, 3496/4005=34, 3568/3543=29
      H     ILE  100 - QD1   LEU  122  far    0   100   0   -  5.3-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 3995 from c13no.peaks (7.66, 0.87, 26.66 ppm; 3.37 A):
    1 out of 1 assignment used, quality = 0.97:
      H     LEU  122 + QD1   LEU  122  OK    97    97 100 100  3.1-3.3   1329=95, 1324/2.1=75, 1326/4014=65, 3991/2.1=46...(19)
    Violated in 0 structures by 0.00 A.
 
    Peak 3996 from c13no.peaks (7.93, 0.87, 26.66 ppm; 4.14 A):
    0 out of 3 assignments used, quality = 0.00:
      H     GLY  128 + QD1   LEU  122  far    0    99   0   -  6.8-15.5
      H     ALA  115 + QD1   LEU  122  far    0    95   0   -  7.7-8.1
      H     GLU   41 + QD1   LEU  422  far    0    60   0   -  8.7-21.0
    Violated in 20 structures by 3.58 A.
 
    Peak 3997 from c13no.peaks (8.54, 0.89, 23.10 ppm; 4.20 A):
    0 out of 1 assignment used, quality = 0.00:
      H     SER   79 + QD2   LEU   86  far    0   100   0   -  7.1-7.9
    Violated in 20 structures by 3.48 A.
 
    Peak 3998 from c13no.peaks (1.58, 1.85, 42.42 ppm; 2.81 A):
    1 out of 2 assignments used, quality = 0.99:
      HB3   LEU  122 + HB2   LEU  122  OK    99    99 100 100  1.8-1.8   1.8=100
      HG12  ILE  100 - HB2   LEU  122  far    0   100   0   -  8.0-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 3999 from c13no.peaks (1.85, 1.57, 42.42 ppm; 2.78 A):
    1 out of 3 assignments used, quality = 0.99:
      HB2   LEU  122 + HB3   LEU  122  OK    99    99 100 100  1.8-1.8   1.8=100
      HG2   ARG  103 - HB3   LEU  122  far    0    81   0   -  2.9-4.3
      HG    LEU   96 - HB3   LEU  122  far    0    83   0   -  9.3-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 4000 from c13no.peaks (1.94, 1.57, 42.42 ppm; 3.43 A):
    1 out of 5 assignments used, quality = 0.98:
      HG    LEU  122 + HB3   LEU  122  OK    98    98 100 100  3.0-3.0   3.0=100
      HB3   ARG  103 - HB3   LEU  122  far    2    65   3   -  3.5-5.3
      HB3   GLU  125 - HB3   LEU  122  far    0    99   0   -  3.6-10.6
      HB    VAL  104 - HB3   LEU  122  far    0    78   0   -  7.2-7.9
      HG    LEU  118 - HB3   LEU  122  far    0    98   0   -  7.6-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 4001 from c13no.peaks (1.58, 4.31, 56.18 ppm; 3.14 A):
    1 out of 2 assignments used, quality = 0.99:
      HB3   LEU  122 + HA    LEU  122  OK    99    99 100 100  2.3-2.4   3.0=100
      HG12  ILE  100 - HA    LEU  122  far    0   100   0   -  8.9-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 4002 from c13no.peaks (3.49, 1.93, 26.66 ppm; 4.14 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    VAL  119 + HG    LEU  122  OK    99   100 100 100  2.0-2.5   4006/2.1=87, 616/1324=64, 1882/3.0=55, 1879/3.0=43...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 4003 from c13no.peaks (3.95, 1.93, 26.66 ppm; 4.95 A increased from 4.40 A):
    1 out of 4 assignments used, quality = 0.78:
      QA    GLY  121 + HG    LEU  122  OK    78    78 100 100  4.6-5.0   2.5/1324=99, 3607=86, 2.5/1318=79, ~1329=69...(19)
      QA    GLY  127 - HG    LEU  122  far    0    95   0   -  6.2-14.9
      HA    ALA  115 - HG    LEU  122  far    0    87   0   -  7.7-8.2
      QA    GLY  106 - HG    LEU  122  far    0   100   0   -  9.5-10.5
    Violated in 2 structures by 0.00 A.
 
    Peak 4004 from c13no.peaks (4.19, 1.93, 26.66 ppm; 5.29 A increased from 4.46 A):
    1 out of 2 assignments used, quality = 0.97:
      HA    LEU  118 + HG    LEU  122  OK    97   100 100  97  5.0-5.1   3.0/4017=74, 619/1318=71, 5.3/4002=57, 6.1/3955=17
      HA    ARG  103 - HG    LEU  122  far    0    96   0   -  7.2-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 4005 from c13no.peaks (4.00, 0.87, 26.66 ppm; 3.81 A):
    1 out of 4 assignments used, quality = 0.52:
      HA    ILE  100 + QD1   LEU  122  OK    52    96 100  55  2.8-3.5   425/2.1=19, 3496/3994=16, 3548/3555=12, 3461/4007=10...(6)
      QA    GLY  121 - QD1   LEU  122  far    0    78   0   -  4.8-5.1
      HA    GLN  105 - QD1   LEU  122  far    0    71   0   -  7.2-7.9
      HA    PRO  112 - QD1   LEU  122  far    0    85   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 4006 from c13no.peaks (3.49, 0.87, 26.66 ppm; 3.40 A):
    1 out of 1 assignment used, quality = 0.92:
      HA    VAL  119 + QD1   LEU  122  OK    92   100 100  92  1.9-2.3   4002/2.1=48, 616/1329=40, 1882/3.1=35, 1879/4013=26...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 4007 from c13no.peaks (3.24, 0.87, 26.66 ppm; 3.96 A):
    1 out of 4 assignments used, quality = 0.99:
      QD    ARG  103 + QD1   LEU  122  OK    99   100 100  99  2.4-3.6   4008/2.1=67, 3546=65, ~4012=48, 3.3/3556=37...(13)
      QD    ARG  124 - QD1   LEU  122  far    0    87   0   -  5.9-9.8
      HD3   PRO   97 - QD1   LEU  122  far    0   100   0   -  6.0-6.7
      QD    ARG   46 - QD1   LEU  422  far    0    92   0   -  8.7-09.3
    Violated in 0 structures by 0.00 A.
 
    Peak 4008 from c13no.peaks (3.25, 0.87, 23.10 ppm; 4.06 A increased from 3.61 A):
    1 out of 4 assignments used, quality = 0.99:
      QD    ARG  103 + QD2   LEU  122  OK    99   100 100  99  3.3-3.9   2.5/4012=86, 3546/2.1=83, 3.3/3556=25, ~3556=22...(10)
      QD    ARG  124 - QD2   LEU  122  far    2    71   3   -  3.8-8.3
      HD3   PRO   97 - QD2   LEU  122  far    0    97   0   -  5.9-6.3
      HA    LEU   73 - QD2   LEU   86  far    0    72   0   -  9.2-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 4010 from c13no.peaks (1.58, 0.87, 23.10 ppm; 3.14 A):
    1 out of 4 assignments used, quality = 0.99:
      HB3   LEU  122 + QD2   LEU  122  OK    99    99 100 100  2.0-2.1   3.1=100
      HG12  ILE  100 - QD2   LEU  122  far    0   100   0   -  4.0-4.4
      QG    ARG   66 - QD2   LEU   86  far    0    66   0   -  9.7-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 4011 from c13no.peaks (1.94, 0.87, 23.10 ppm; 2.67 A):
    1 out of 10 assignments used, quality = 1.00:
      HG    LEU  122 + QD2   LEU  122  OK   100   100 100 100  2.1-2.1   2.1=100
      HB3   ARG  103 - QD2   LEU  122  far    0    83   0   -  2.8-3.8
      HB3   GLU  125 - QD2   LEU  122  far    0   100   0   -  4.2-8.5
      HB    VAL  104 - QD2   LEU  122  far    0    60   0   -  5.2-6.0
      HG    LEU  118 - QD2   LEU  122  far    0   100   0   -  6.5-6.8
      HB3   PRO  112 - QD2   LEU   86  far    0    42   0   -  7.0-7.9
      HB3   GLU   81 - QD2   LEU   86  far    0    78   0   -  7.1-8.4
      HB3   GLN  101 - QD2   LEU  122  far    0    93   0   -  7.8-8.7
      HB2   LEU   93 - QD2   LEU   86  far    0    76   0   -  9.3-11.2
      HB2   LEU   93 - QD2   LEU  122  far    0    99   0   -  9.4-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 4012 from c13no.peaks (1.86, 0.87, 23.10 ppm; 3.00 A increased from 2.82 A):
    1 out of 6 assignments used, quality = 0.54:
      HG2   ARG  103 + QD2   LEU  122  OK    54    65  98  84  2.0-3.1   2.5/4008=35, ~3546=23, 3555=21, ~4007=21...(11)
      HB2   LEU  122 - QD2   LEU  122  far    0    96   0   -  3.1-3.1
      HG    LEU   96 - QD2   LEU  122  far    0    93   0   -  5.6-8.2
      QB    ARG   66 - QD2   LEU   86  far    0    78   0   -  8.1-9.3
      HB2   LYS   80 - QD2   LEU   86  far    0    69   0   -  9.1-10.1
      HB3   PRO  109 - QD2   LEU   86  far    0    46   0   -  9.7-10.8
    Violated in 1 structures by 0.01 A.
 
    Peak 4013 from c13no.peaks (1.57, 0.87, 26.66 ppm; 2.98 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LEU  122 + QD1   LEU  122  OK   100   100 100 100  2.6-2.7   3.1=86, 1.8/4014=78, 1327/1329=31, ~565=18...(13)
      HG12  ILE  100 - QD1   LEU  122  far    0    99   0   -  4.6-5.5
      HB2   LEU   96 - QD1   LEU  122  far    0    71   0   -  7.0-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 4014 from c13no.peaks (1.87, 0.87, 26.66 ppm; 2.60 A):
    1 out of 4 assignments used, quality = 0.81:
      HB2   LEU  122 + QD1   LEU  122  OK    81    85 100  96  2.0-2.2   3.1=57, 1.8/4013=52, 1326/1329=32, 570/2.1=19...(15)
      HG    LEU   96 - QD1   LEU  122  far    0    99   0   -  5.7-7.4
      HB3   PRO  109 - QD1   LEU  122  far    0    85   0   -  8.1-8.6
      QB    ALA   61 - QD1   LEU  122  far    0    68   0   -  9.0-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 4015 from c13no.peaks (1.94, 0.87, 26.66 ppm; 2.40 A):
    2 out of 7 assignments used, quality = 0.99:
      HG    LEU  122 + QD1   LEU  122  OK    98    98 100 100  2.1-2.1   2.1=100
      HB3   ARG  103 + QD1   LEU  122  OK    35    65  80  66  1.9-2.7   3.3/4007=18, 3556=13, 1.8/3543=12, ~4012=11...(11)
      HB    VAL  104 - QD1   LEU  122  far    0    78   0   -  3.4-3.9
      HG    LEU  118 - QD1   LEU  122  far    0    98   0   -  4.1-4.4
      HB3   GLU  125 - QD1   LEU  122  far    0    99   0   -  5.7-10.2
      HB3   GLN  101 - QD1   LEU  122  far    0    99   0   -  7.4-8.0
      HB2   LEU   93 - QD1   LEU  122  far    0    95   0   -  8.2-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 4016 from c13no.peaks (1.57, 1.93, 26.66 ppm; 3.52 A):
    1 out of 3 assignments used, quality = 1.00:
      HB3   LEU  122 + HG    LEU  122  OK   100   100 100 100  3.0-3.0   3.0=100
      HG12  ILE  100 - HG    LEU  122  far    0    99   0   -  5.7-6.6
      HB2   LEU   96 - HG    LEU  122  far    0    71   0   -  9.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 4017 from c13no.peaks (1.44, 1.93, 26.66 ppm; 4.98 A increased from 4.19 A):
    1 out of 3 assignments used, quality = 0.66:
      HB3   LEU  118 + HG    LEU  122  OK    66    76 100  87  4.5-4.8   3.0/4004=62, 6.1/4002=42, 3909/1318=31, 6.5/3955=13
      QB    ALA  102 - HG    LEU  122  far    0   100   0   -  8.4-9.1
      QB    ALA   42 - HG    LEU  422  far    0   100   0   -  9.2-20.4
    Violated in 0 structures by 0.00 A.
 
    Peak 4018 from c13no.peaks (0.87, 1.93, 26.66 ppm; 2.40 A):
    2 out of 4 assignments used, quality = 1.00:
      QD1   LEU  122 + HG    LEU  122  OK   100   100 100 100  2.1-2.1   2.1=100
      QD2   LEU  122 + HG    LEU  122  OK   100   100 100 100  2.1-2.1   2.1=100
      QD1   ILE  100 - HG    LEU  122  far    0    97   0   -  2.7-3.6
      QQG   VAL  104 - HG    LEU  122  far    0   100   0   -  5.9-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 4019 from c13no.peaks (0.86, 1.57, 42.42 ppm; 3.16 A):
    2 out of 4 assignments used, quality = 1.00:
      QD2   LEU  122 + HB3   LEU  122  OK   100   100 100 100  2.0-2.1   3.1=100
      QD1   LEU  122 + HB3   LEU  122  OK    99    99 100 100  2.6-2.7   3.1=100
      QD1   ILE  100 - HB3   LEU  122  far    0    89   0   -  4.4-4.7
      QQG   VAL  104 - HB3   LEU  122  far    0    98   0   -  6.6-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 4021 from c13no.peaks (0.87, 4.33, 57.00 ppm; 4.38 A):
    2 out of 5 assignments used, quality = 1.00:
      QD2   LEU  122 + HA    ARG  123  OK    99    99 100 100  2.8-3.0   934=90, 1302/2.9=72, 1340/3.6=46, 564/5.3=42...(14)
      QD1   ILE  100 + HA    ARG  123  OK    94   100 100  95  2.5-4.1   3484=77, 2729/4.2=52, 4039/2.5=37, 631/4034=20
      QG2   ILE  100 - HA    ARG  123  far    0    71   0   -  4.8-6.4
      QD1   LEU  122 - HA    ARG  123  far    0    99   0   -  5.0-5.4
      QQG   VAL  104 - HA    ARG  123  far    0   100   0   -  7.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 4022 from c13no.peaks (1.75, 3.32, 44.13 ppm; 2.92 A):
    1 out of 2 assignments used, quality = 1.00:
      HG3   ARG  123 + QD    ARG  123  OK   100   100 100 100  2.1-2.5   2.5=100
      HG3   ARG  103 - QD    ARG  123  far    0    98   0   -  8.6-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 4023 from c13no.peaks (1.83, 3.32, 44.13 ppm; 2.86 A):
    1 out of 5 assignments used, quality = 1.00:
      HG2   ARG  123 + QD    ARG  123  OK   100   100 100 100  2.1-2.5   2.5=100
      HB3   ARG  124 - QD    ARG  123  far    0    65   0   -  4.5-7.7
      HB    ILE  100 - QD    ARG  123  far    0    97   0   -  6.0-7.5
      HB2   LEU  122 - QD    ARG  123  far    0    78   0   -  6.0-8.0
      HG2   ARG  103 - QD    ARG  123  far    0    99   0   -  7.3-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 4024 from c13no.peaks (1.97, 3.32, 44.13 ppm; 3.00 A):
    1 out of 5 assignments used, quality = 1.00:
      QB    ARG  123 + QD    ARG  123  OK   100   100 100 100  2.0-2.9   2.2=100
      HB3   PRO  126 - QD    ARG  123  far    0    98   0   -  5.8-12.3
      HB2   ARG  103 - QD    ARG  123  far    0    76   0   -  7.6-9.7
      HB2   GLU   53 - QD    ARG  123  far    0   100   0   -  7.9-9.3
      HB    VAL  104 - QD    ARG  123  far    0    99   0   -  8.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 4025 from c13no.peaks (0.98, 3.32, 44.13 ppm; 3.85 A increased from 3.62 A):
    1 out of 1 assignment used, quality = 0.94:
      QG2   VAL  119 + QD    ARG  123  OK    94    99  98  97  2.2-3.9   1756=75, 1761/4027=46, 238/4040=32, 806/4042=31...(9)
    Violated in 1 structures by 0.00 A.
 
    Peak 4026 from c13no.peaks (0.87, 3.32, 44.13 ppm; 4.20 A):
    1 out of 4 assignments used, quality = 0.96:
      QD1   ILE  100 + QD    ARG  123  OK    96    97 100  99  2.8-3.9   2729=97, 3484/4.2=41, 3485/4040=36, 4039/2.2=30
      QD2   LEU  122 - QD    ARG  123  far   12   100  13   -  3.3-5.4
      QD1   LEU  122 - QD    ARG  123  far    0   100   0   -  4.7-6.5
      QQG   VAL  104 - QD    ARG  123  far    0   100   0   -  7.2-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 4027 from c13no.peaks (4.57, 3.32, 44.13 ppm; 3.62 A):
    1 out of 2 assignments used, quality = 0.93:
      HA    ASP  120 + QD    ARG  123  OK    93    98 100  95  1.9-3.5   4031/2.2=49, 4035/2.5=43, 1761/4025=38, 4032/2.5=37...(8)
      HA    GLU  125 - QD    ARG  123  far    0    89   0   -  6.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 4028 from c13no.peaks (2.26, 3.32, 44.13 ppm; 4.05 A):
    3 out of 4 assignments used, quality = 0.85:
      QG    GLU   54 + QD    ARG  123  OK    56   100 100  56  2.0-2.9   231/4040=35, 3876/2729=32
      HB    VAL  119 + QD    ARG  123  OK    44    99  50  89  3.6-6.0   2.1/4025=75, 4.5/4042=31, 6.2/4027=27, ~3955=12
      HG2   PRO   58 + QD    ARG  123  OK    38   100  65  59  3.5-5.1   1755/4025=30, 2179/4040=26, 805/4042=21
      HG2   PRO   97 - QD    ARG  123  far    0    81   0   -  6.1-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 4030 from c13no.peaks (3.32, 1.97, 30.87 ppm; 3.30 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    ARG  123 + QB    ARG  123  OK   100   100 100 100  2.0-2.9   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 4031 from c13no.peaks (4.56, 1.97, 30.87 ppm; 4.15 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    ASP  120 + QB    ARG  123  OK    99   100 100  99  2.3-3.9   4027/2.2=74, 4035/2.5=63, 610/3.4=54, 4032/2.5=52...(7)
      HA    GLU  125 - QB    ARG  123  far    0    60   0   -  4.4-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 4032 from c13no.peaks (4.57, 1.75, 27.63 ppm; 4.87 A increased from 4.33 A):
    1 out of 4 assignments used, quality = 1.00:
      HA    ASP  120 + HG3   ARG  123  OK   100   100 100 100  1.9-4.9   4027/2.5=91, 4035/1.8=90, 4031/2.5=83, 610/4043=53...(6)
      HA    GLU  125 - HG3   ARG  123  far    0    76   0   -  6.0-9.6
      HA    GLU  125 - HG3   ARG  103  far    0    72   0   -  6.9-15.3
      HA    ASP  120 - HG3   ARG  103  far    0    98   0   -  9.7-12.2
    Violated in 2 structures by 0.00 A.
 
    Peak 4033 from c13no.peaks (4.33, 1.75, 27.63 ppm; 3.79 A increased from 3.57 A):
    1 out of 6 assignments used, quality = 1.00:
      HA    ARG  123 + HG3   ARG  123  OK   100   100 100 100  2.1-3.8   3.9=90, 4034/1.8=77, 2.9/4043=45, ~1301=36...(11)
      HA    LEU  122 - HG3   ARG  123  far    0    87   0   -  5.5-7.1
      HA    LEU  122 - HG3   ARG  103  far    0    83   0   -  6.3-8.2
      HA    GLN  107 - HG3   ARG  103  far    0    98   0   -  7.0-10.2
      HA    ARG  123 - HG3   ARG  103  far    0    98   0   -  7.9-9.2
      HA    ARG  108 - HG3   ARG  103  far    0    91   0   -  8.6-11.5
    Violated in 3 structures by 0.00 A.
 
    Peak 4034 from c13no.peaks (4.33, 1.82, 27.63 ppm; 3.69 A increased from 3.47 A):
    1 out of 7 assignments used, quality = 0.95:
      HA    ARG  123 + HG2   ARG  123  OK    95   100  95 100  2.2-3.8   1231=92, 4033/1.8=71, 2.9/1301=55, ~4043=29...(11)
      HA    LEU  122 - HG2   ARG  103  far    0    80   0   -  5.2-6.5
      HA    LEU  122 - HG2   ARG  123  far    0    87   0   -  5.5-6.8
      HA    ARG  123 - HG2   ARG  103  far    0    96   0   -  6.4-7.4
      HA    GLN  107 - HG2   ARG  103  far    0    97   0   -  8.5-10.5
      HA    PRO   75 - HG    LEU   86  far    0    67   0   -  8.6-11.7
      HB2   SER  111 - HG    LEU   86  far    0    71   0   -  8.9-11.4
    Violated in 3 structures by 0.02 A.
 
    Peak 4035 from c13no.peaks (4.56, 1.82, 27.63 ppm; 4.32 A):
    1 out of 4 assignments used, quality = 0.99:
      HA    ASP  120 + HG2   ARG  123  OK    99   100 100  99  2.0-3.9   4027/2.5=74, 4031/2.5=71, 4032/1.8=63, 610/1301=53...(6)
      HA    GLU  125 - HG2   ARG  103  far    0    54   0   -  5.6-13.6
      HA    GLU  125 - HG2   ARG  123  far    0    60   0   -  7.1-9.5
      HA    ASP  120 - HG2   ARG  103  far    0    96   0   -  9.1-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 4036 from c13no.peaks (0.87, 1.75, 27.63 ppm; 3.28 A):
    0 out of 10 assignments used, quality = 0.00:
      QD1   LEU  122 + HG3   ARG  103  far   15    97  15   -  2.1-4.5
      QD1   ILE  100 + HG3   ARG  123  far   12   100  13   -  2.8-5.1
      QD2   LEU  122 + HG3   ARG  103  far    5    96   5   -  3.3-4.5
      QD2   LEU  122 + HG3   ARG  123  far    0    99   0   -  3.5-5.6
      QQG   VAL  104 + HG3   ARG  103  far    0    98   0   -  4.2-5.8
      QG2   ILE  100 + HG3   ARG  103  far    0    67   0   -  4.2-5.6
      QG2   ILE  100 + HG3   ARG  123  far    0    71   0   -  4.7-6.9
      QD1   ILE  100 + HG3   ARG  103  far    0    97   0   -  4.8-5.7
      QD1   LEU  122 + HG3   ARG  123  far    0    99   0   -  5.3-6.8
      QQG   VAL  104 + HG3   ARG  123  far    0   100   0   -  8.2-9.7
    Violated in 5 structures by 0.01 A.
 
    Peak 4037 from c13no.peaks (1.83, 1.75, 27.63 ppm; 2.40 A):
    2 out of 10 assignments used, quality = 1.00:
      HG2   ARG  123 + HG3   ARG  123  OK   100   100 100 100  1.8-1.8   1.8=100
      HG2   ARG  103 + HG3   ARG  103  OK    96    96 100 100  1.8-1.8   1.8=100
      HB3   ARG  124 - HG3   ARG  123  far    0    65   0   -  3.1-7.8
      HB2   LEU  122 - HG3   ARG  103  far    0    74   0   -  4.2-6.8
      HB2   LEU  122 - HG3   ARG  123  far    0    78   0   -  6.0-7.7
      HB    ILE  100 - HG3   ARG  103  far    0    93   0   -  6.7-7.4
      HB    ILE  100 - HG3   ARG  123  far    0    97   0   -  6.8-9.5
      HB3   ARG  124 - HG3   ARG  103  far    0    61   0   -  7.0-14.3
      HG2   ARG  103 - HG3   ARG  123  far    0    99   0   -  8.0-10.1
      HG2   ARG  123 - HG3   ARG  103  far    0    98   0   -  8.0-11.8
    Violated in 0 structures by 0.00 A.
 
    Peak 4038 from c13no.peaks (0.87, 1.82, 27.63 ppm; 3.07 A):
    4 out of 11 assignments used, quality = 0.99:
      QD2   LEU  122 + HG2   ARG  103  OK    84    97 100  87  2.0-3.1   4008/2.5=37, 4012=36, ~3546=24, ~4007=22...(10)
      QD2   LEU   86 + HG    LEU   86  OK    67    67 100 100  2.1-2.1   2.1=100
      QD1   LEU  122 + HG2   ARG  103  OK    57    97  68  87  1.9-3.5   4007/2.5=38, 4005/3548=25, 2.1/4012=23, 3556/3.0=23...(9)
      QD1   ILE  100 + HG2   ARG  123  OK    34    97  53  67  2.1-5.5   2729/2.5=36, 3484/3.9=22, 631=22, 4039/2.5=17
      QD2   LEU  122 - HG2   ARG  123  far   12   100  13   -  2.7-5.4
      QD1   ILE  100 - HG2   ARG  103  far    0    91   0   -  4.0-4.6
      QD1   LEU  122 - HG2   ARG  123  far    0   100   0   -  4.4-6.7
      QQG   VAL  104 - HG2   ARG  103  far    0    96   0   -  5.1-5.9
      QQG   VAL  104 - HG2   ARG  123  far    0   100   0   -  7.5-10.0
      QG2   VAL   77 - HG    LEU   86  far    0    75   0   -  8.7-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 4039 from c13no.peaks (0.89, 1.97, 30.87 ppm; 3.34 A):
    2 out of 6 assignments used, quality = 0.40:
      QD2   LEU  122 + QB    ARG  123  OK    24    85  30  94  2.5-4.6   934/2.5=54, 1302/3.4=39, 1340/4.0=22, ~3989=19...(13)
      QD1   ILE  100 + QB    ARG  123  OK    21    99  30  71  2.5-4.9   2729/2.2=47, 3484/2.5=35, 631/2.5=17
      QG2   ILE  100 - QB    ARG  123  far    0    95   0   -  4.3-6.7
      QD1   LEU  122 - QB    ARG  123  far    0    87   0   -  4.3-6.0
      QQG   VAL  104 - QB    ARG  123  far    0    92   0   -  7.2-9.0
      QD2   LEU  118 - QB    ARG  123  far    0    63   0   -  8.3-9.3
    Violated in 11 structures by 0.27 A.
 
    Peak 4040 from c13no.peaks (6.55, 3.32, 44.13 ppm; 5.27 A):
    1 out of 1 assignment used, quality = 0.97:
      QE    TYR   52 + QD    ARG  123  OK    97    99 100  98  2.8-4.1   238/4025=83, 237/2729=76, 231/4028=31, 2179/4028=16
    Violated in 0 structures by 0.00 A.
 
    Peak 4041 from c13no.peaks (7.83, 3.32, 44.13 ppm; 4.67 A):
    1 out of 2 assignments used, quality = 0.68:
      H     ARG  123 + QD    ARG  123  OK    68    76  90 100  3.4-4.8   4044/2.5=81, 5.1=78, 4043/2.5=71, 610/4027=49...(15)
      H     LEU  118 - QD    ARG  123  far    0    99   0   -  7.7-9.4
    Violated in 1 structures by 0.01 A.
 
    Peak 4042 from c13no.peaks (8.39, 3.32, 44.13 ppm; 5.34 A):
    1 out of 2 assignments used, quality = 0.92:
      H     ASP  120 + QD    ARG  123  OK    92   100  93 100  3.9-5.5   2.9/4027=94, 806/4025=82, ~4031=60, ~4035=55...(9)
      H     ALA   55 - QD    ARG  123  far    2    97   3   -  5.4-6.8
    Violated in 2 structures by 0.01 A.
 
    Peak 4043 from c13no.peaks (7.82, 1.75, 27.63 ppm; 4.53 A increased from 4.02 A):
    1 out of 4 assignments used, quality = 0.92:
      H     ARG  123 + HG3   ARG  123  OK    92    92 100 100  2.3-4.4   4044/1.8=90, 2.9/4033=77, 4.9=77, 4041/2.5=64...(15)
      H     ARG  123 - HG3   ARG  103  far    0    88   0   -  7.6-9.8
      H     LEU  118 - HG3   ARG  103  far    0    89   0   -  7.6-11.5
      H     LEU  118 - HG3   ARG  123  far    0    93   0   -  8.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 4044 from c13no.peaks (7.82, 1.82, 27.63 ppm; 3.95 A):
    1 out of 4 assignments used, quality = 0.92:
      H     ARG  123 + HG2   ARG  123  OK    92    92 100 100  2.3-3.6   1301=92, 2.9/4034=64, 4043/1.8=60, 1300/2.5=50...(13)
      H     ARG  123 - HG2   ARG  103  far    0    86   0   -  6.5-8.0
      H     LEU  118 - HG2   ARG  123  far    0    93   0   -  8.0-9.9
      H     LEU  118 - HG2   ARG  103  far    0    87   0   -  8.2-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 4046 from c13no.peaks (7.80, 4.33, 57.00 ppm; 3.72 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG  123 + HA    ARG  123  OK   100   100 100 100  2.7-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 4047 from c13no.peaks (8.01, 4.33, 57.00 ppm; 4.11 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ARG  124 + HA    ARG  123  OK    97    97 100 100  2.2-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 4048 from c13no.peaks (7.81, 1.97, 30.87 ppm; 3.42 A):
    1 out of 2 assignments used, quality = 0.99:
      H     ARG  123 + QB    ARG  123  OK    99    99 100 100  2.0-2.7   3.4=100
      H     LEU  118 - QB    ARG  123  far    0    76   0   -  7.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 4050 from c13no.peaks (3.23, 1.80, 31.47 ppm; 3.86 A):
    1 out of 2 assignments used, quality = 0.99:
      QD    ARG  124 + HB3   ARG  124  OK    99    99 100 100  2.1-2.8   3.2=100
      QD    ARG  103 - HB3   ARG  124  far    0    89   0   -  6.2-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 4051 from c13no.peaks (1.89, 3.22, 43.48 ppm; 2.80 A):
    1 out of 2 assignments used, quality = 0.91:
      HB2   ARG  124 + QD    ARG  124  OK    91    99 100  92  2.1-2.7   3.2=69, 1.8/4052=62, 3.0/1247=24, ~4052=9
      HB3   ARG  103 - QD    ARG  124  far    0    71   0   -  6.8-13.7
    Violated in 0 structures by 0.00 A.
 
    Peak 4052 from c13no.peaks (1.80, 3.22, 43.48 ppm; 2.91 A):
    1 out of 4 assignments used, quality = 0.94:
      HB3   ARG  124 + QD    ARG  124  OK    94   100  98  96  2.1-2.8   3.2=77, 1.8/4051=70, 3.0/1247=26, 1338/5.3=12
      HG2   ARG  123 - QD    ARG  124  far    0    78   0   -  4.5-8.6
      HB    ILE  100 - QD    ARG  124  far    0    92   0   -  8.0-14.0
      HB3   GLU   41 - QD    ARG  424  far    0   100   0   -  9.6-36.9
    Violated in 2 structures by 0.01 A.
 
    Peak 4053 from c13no.peaks (1.68, 3.22, 43.48 ppm; 2.74 A):
    1 out of 1 assignment used, quality = 1.00:
      QG    ARG  124 + QD    ARG  124  OK   100   100 100 100  2.0-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 4054 from c13no.peaks (1.80, 1.68, 27.31 ppm; 2.79 A):
    1 out of 4 assignments used, quality = 1.00:
      HB3   ARG  124 + QG    ARG  124  OK   100   100 100 100  2.1-2.4   2.5=100
      HG2   ARG  123 - QG    ARG  124  far    2    78   3   -  2.8-7.8
      HB    ILE  100 - QG    ARG  124  far    0    92   0   -  7.7-13.5
      HB3   GLU   41 - QG    ARG  424  far    0   100   0   -  7.9-35.4
    Violated in 0 structures by 0.00 A.
 
    Peak 4055 from c13no.peaks (1.89, 1.68, 27.31 ppm; 2.94 A):
    1 out of 2 assignments used, quality = 0.99:
      HB2   ARG  124 + QG    ARG  124  OK    99    99 100 100  2.2-2.5   2.5=100
      HB3   ARG  103 - QG    ARG  124  far    0    71   0   -  7.5-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 4056 from c13no.peaks (7.99, 4.37, 56.29 ppm; 3.95 A):
    1 out of 3 assignments used, quality = 0.96:
      H     ARG  124 + HA    ARG  124  OK    96    96 100 100  2.3-2.9   2.9=100
      H     GLY  121 - HA    ARG  124  far    0    73   0   -  7.0-9.5
      H     GLU   41 - HA    ARG  424  far    0    65   0   -  7.7-49.6
    Violated in 0 structures by 0.00 A.
 
    Peak 4057 from c13no.peaks (8.00, 1.90, 31.47 ppm; 4.11 A):
    1 out of 3 assignments used, quality = 1.00:
      H     ARG  124 + HB2   ARG  124  OK   100   100 100 100  2.5-4.0   4.0=100
      H     ARG  108 - HB3   ARG  103  far    0    32   0   -  7.1-8.0
      H     ARG  124 - HB3   ARG  103  far    0    45   0   -  7.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 4059 from c13no.peaks (8.00, 1.80, 31.47 ppm; 4.47 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ARG  124 + HB3   ARG  124  OK   100   100 100 100  2.6-3.7   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 4060 from c13no.peaks (-0.06, 2.06, 29.90 ppm; 5.50 A increased from 5.39 A):
    0 out of 2 assignments used, quality = 0.00:
      QD2   LEU   96 + HB2   GLN  101  far   11    72  15   -  5.5-5.9
      QD2   LEU   96 + HB2   GLU  125  far    0    92   0   -  9.1-14.1
    Violated in 19 structures by 0.16 A.
 
    Peak 4061 from c13no.peaks (0.33, 2.06, 29.90 ppm; 5.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 4062 from c13no.peaks (0.55, 2.06, 29.90 ppm; 5.18 A increased from 4.61 A):
    1 out of 1 assignment used, quality = 0.83:
      QD1   LEU   96 + HB2   GLN  101  OK    83    83 100 100  4.2-4.9   3331/3.0=91, 3324/2.9=85, 3323/2.9=85, 3513/1.8=85...(29)
    Violated in 0 structures by 0.00 A.
 
    Peak 4063 from c13no.peaks (2.06, 1.94, 29.90 ppm; 2.40 A):
    2 out of 9 assignments used, quality = 1.00:
      HB2   GLU  125 + HB3   GLU  125  OK    99    99 100 100  1.8-1.8   1.8=100
      HB2   GLN  101 + HB3   GLN  101  OK    68    68 100 100  1.8-1.8   1.8=100
      HB2   GLU   41 - HB3   GLU  425  far    2    93   3   -  2.2-49.4
      HG3   GLN  101 - HB3   GLN  101  far    0    64   0   -  2.7-3.0
      QB    GLN  105 - HB3   GLN  101  far    0    36   0   -  4.5-5.4
      QG    PRO  126 - HB3   GLU  125  far    0   100   0   -  4.8-6.1
      QB    GLU   99 - HB3   GLU  125  far    0    83   0   -  5.3-13.3
      QB    GLU   99 - HB3   GLN  101  far    0    53   0   -  7.4-7.8
      HB3   PRO   58 - HB3   GLU  125  far    0    98   0   -  9.1-14.9
    Violated in 0 structures by 0.00 A.
 
    Peak 4064 from c13no.peaks (-0.06, 1.94, 29.90 ppm; 5.50 A increased from 5.44 A):
    0 out of 2 assignments used, quality = 0.00:
      QD2   LEU   96 + HB3   GLN  101  far    0    61   0   -  6.2-6.5
      QD2   LEU   96 + HB3   GLU  125  far    0    92   0   -  9.5-13.2
    Violated in 20 structures by 0.76 A.
 
    Peak 4065 from c13no.peaks (0.55, 1.94, 29.90 ppm; 5.02 A increased from 4.73 A):
    1 out of 1 assignment used, quality = 0.65:
      QD1   LEU   96 + HB3   GLN  101  OK    65    65 100 100  4.6-5.0   3503/2.9=85, 3331/3.0=85, 3323/2.9=79, 4062/1.8=75...(28)
    Violated in 0 structures by 0.00 A.
 
    Peak 4066 from c13no.peaks (4.59, 1.94, 29.90 ppm; 3.89 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    GLU  125 + HB3   GLU  125  OK    99    99 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 4067 from c13no.peaks (1.94, 2.30, 36.37 ppm; 2.91 A):
    1 out of 8 assignments used, quality = 1.00:
      HB3   GLU  125 + QG    GLU  125  OK   100   100 100 100  2.1-2.5   2.5=100
      HB2   ARG   74 - HG3   GLU   76  far    0    69   0   -  3.1-7.0
      HG    LEU  122 - QG    GLU  125  far    0   100   0   -  4.6-10.6
      HB2   ARG   74 - QG    GLU  425  far    0    90   0   -  6.7-34.1
      HB3   ARG  103 - QG    GLU  125  far    0    81   0   -  6.7-14.4
      HG    LEU  118 - QG    GLU  125  far    0   100   0   -  9.6-14.8
      QB    ARG   46 - QG    GLU  425  far    0    95   0   -  9.7-21.6
      HB    VAL  104 - QG    GLU  125  far    0    63   0   -  9.7-16.2
    Violated in 0 structures by 0.00 A.
 
    Peak 4068 from c13no.peaks (2.06, 2.30, 36.37 ppm; 2.57 A):
    1 out of 8 assignments used, quality = 0.99:
      HB2   GLU  125 + QG    GLU  125  OK    99    99 100 100  2.1-2.5   2.5=100
      HB2   GLU   41 - QG    GLU  425  far    0    93   0   -  2.9-34.0
      QG    PRO  126 - QG    GLU  125  far    0   100   0   -  3.0-5.2
      QB    PRO   75 - HG3   GLU   76  far    0    56   0   -  5.7-7.6
      QB    GLU   99 - QG    GLU  125  far    0    83   0   -  6.8-13.2
      QG    PRO   38 - QG    GLU  425  far    0    83   0   -  9.3-14.6
      HB3   PRO   38 - QG    GLU  425  far    0    93   0   -  9.5-29.2
      HB3   PRO   58 - QG    GLU  125  far    0    98   0   -  9.7-15.0
    Violated in 0 structures by 0.00 A.
 
    Peak 4069 from c13no.peaks (2.31, 1.94, 29.90 ppm; 2.63 A):
    1 out of 6 assignments used, quality = 1.00:
      QG    GLU  125 + HB3   GLU  125  OK   100   100 100 100  2.1-2.5   2.5=100
      HG2   GLU   41 - HB3   GLU  425  far    0    97   0   -  4.7-47.2
      HG2   PRO   97 - HB3   GLN  101  far    0    50   0   -  6.7-8.2
      HB2   PRO  126 - HB3   GLU  125  far    0    99   0   -  6.7-7.8
      HG2   PRO   97 - HB3   GLU  125  far    0    78   0   -  8.0-15.1
      QB    GLN  107 - HB3   GLN  101  far    0    70   0   -  9.2-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 4070 from c13no.peaks (2.31, 2.06, 29.90 ppm; 2.54 A):
    1 out of 6 assignments used, quality = 1.00:
      QG    GLU  125 + HB2   GLU  125  OK   100   100 100 100  2.1-2.5   2.5=100
      HG2   GLU   41 - HB2   GLU  425  far    0    97   0   -  4.3-48.3
      HG2   PRO   97 - HB2   GLN  101  far    0    59   0   -  5.0-6.5
      HB2   PRO  126 - HB2   GLU  125  far    0    99   0   -  5.2-7.8
      HG2   PRO   97 - HB2   GLU  125  far    0    78   0   -  8.7-16.0
      QB    GLN  107 - HB2   GLN  101  far    0    82   0   -  9.9-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 4071 from c13no.peaks (8.25, 1.94, 29.90 ppm; 4.39 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLU  125 + HB3   GLU  125  OK   100   100 100 100  2.4-3.4   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 4072 from c13no.peaks (8.26, 2.06, 29.90 ppm; 4.50 A):
    1 out of 1 assignment used, quality = 0.96:
      H     GLU  125 + HB2   GLU  125  OK    96    96 100 100  2.5-4.1   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 4073 from c13no.peaks (8.47, 1.94, 29.90 ppm; 3.90 A):
    1 out of 3 assignments used, quality = 0.46:
      H     GLN  101 + HB3   GLN  101  OK    46    46 100 100  3.5-3.6   4.1=89, 4074/1.8=82, 4.5/1214=41, ~656=28...(19)
      H     GLY  127 - HB3   GLU  125  far    0    89   0   -  4.2-8.1
      H     GLN   59 - HB3   GLU  125  far    0    89   0   -  9.1-16.5
    Violated in 0 structures by 0.00 A.
 
    Peak 4074 from c13no.peaks (8.47, 2.06, 29.90 ppm; 3.60 A):
    1 out of 3 assignments used, quality = 0.55:
      H     GLN  101 + HB2   GLN  101  OK    55    55 100  99  2.2-2.3   4.1=70, 4073/1.8=65, 4.5/1213=38, ~656=22...(18)
      H     GLY  127 - HB2   GLU  125  far   11    89  13   -  2.5-7.0
      H     GLN   59 - HB2   GLU  125  far    0    89   0   -  9.5-17.7
    Violated in 0 structures by 0.00 A.
 
    Peak 4075 from c13no.peaks (4.45, 1.98, 32.16 ppm; 3.61 A):
    2 out of 3 assignments used, quality = 1.00:
      HA    PRO  126 + HB3   PRO  126  OK    99    99 100 100  2.3-2.3   2.3=100
      HA    PRO  109 + HB2   PRO  109  OK    84    84 100 100  2.3-2.3   2.3=100
      HA2   GLY   57 - HB3   PRO  126  far    0    78   0   -  8.1-18.4
    Violated in 0 structures by 0.00 A.
 
    Peak 4077 from c13no.peaks (3.81, 1.98, 32.16 ppm; 3.96 A increased from 3.52 A):
    1 out of 8 assignments used, quality = 0.99:
      HD2   PRO  126 + HB3   PRO  126  OK    99    99 100 100  3.0-3.9   3.0=100
      QA    GLY  128 - HB3   PRO  126  far    0    73   0   -  5.4-6.9
      HA    VAL  104 - HB2   PRO  109  far    0    84   0   -  5.8-6.4
      HA3   GLY  110 - HB2   PRO  109  far    0    97   0   -  5.8-5.9
      HA    GLU  113 - HB2   PRO  109  far    0    86   0   -  7.8-7.9
      HA    GLU   54 - HB3   PRO  126  far    0    89   0   -  7.9-17.8
      HD3   PRO  112 - HB2   PRO  109  far    0    95   0   -  8.2-8.4
      HD3   PRO   58 - HB3   PRO  126  far    0   100   0   -  8.8-18.4
    Violated in 0 structures by 0.00 A.
 
    Peak 4078 from c13no.peaks (3.73, 1.98, 32.16 ppm; 3.91 A):
    1 out of 2 assignments used, quality = 1.00:
      HD3   PRO  126 + HB3   PRO  126  OK   100   100 100 100  3.0-3.9   3.0=100
      HA    LEU   93 - HB2   PRO  109  far    0    71   0   -  8.1-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 4079 from c13no.peaks (4.44, 3.73, 50.93 ppm; 4.52 A):
    1 out of 3 assignments used, quality = 1.00:
      HA    PRO  126 + HD3   PRO  126  OK   100   100 100 100  3.6-4.1   3.6=100
      HA    GLU   41 - HD3   PRO  426  far    0    60   0   -  8.3-50.9
      HA2   GLY   57 - HD3   PRO  126  far    0    93   0   -  9.9-17.0
    Violated in 0 structures by 0.00 A.
 
    Peak 4080 from c13no.peaks (4.44, 3.82, 50.93 ppm; 4.20 A):
    1 out of 5 assignments used, quality = 1.00:
      HA    PRO  126 + HD2   PRO  126  OK   100   100 100 100  3.6-4.1   3.6=100
      HA    GLU   41 - HD2   PRO   40  far    0    38   0   -  5.4-6.4
      HA    PRO  126 - HD2   PRO  340  far    0    76   0   -  7.3-49.5
      HA    GLU   41 - HD2   PRO  426  far    0    60   0   -  7.5-49.3
      HA2   GLY   57 - HD2   PRO  126  far    0    93   0   -  9.0-16.6
    Violated in 0 structures by 0.00 A.
 
    Peak 4081 from c13no.peaks (4.45, 2.07, 27.63 ppm; 4.59 A):
    1 out of 3 assignments used, quality = 0.99:
      HA    PRO  126 + QG    PRO  126  OK    99    99 100 100  3.5-3.5   3.5=100
      HA    GLU   41 - QG    PRO  426  far    0    81   0   -  8.7-34.3
      HA2   GLY   57 - QG    PRO  126  far    0    78   0   -  9.0-16.6
    Violated in 0 structures by 0.00 A.
 
    Peak 4082 from c13no.peaks (4.59, 3.73, 50.93 ppm; 2.96 A):
    1 out of 2 assignments used, quality = 0.84:
      HA    GLU  125 + HD3   PRO  126  OK    84   100 100  84  2.1-2.9   4083/1.8=65, 3.8=48, 1453/2.2=10
      HA    ASP  120 - HD3   PRO  126  far    0    60   0   -  7.8-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 4083 from c13no.peaks (4.59, 3.82, 50.93 ppm; 3.01 A):
    1 out of 3 assignments used, quality = 0.86:
      HA    GLU  125 + HD2   PRO  126  OK    86   100 100  86  2.1-3.0   4082/1.8=69, 3.8=51, 1453/2.2=10
      HA    ASP  120 - HD2   PRO  126  far    0    60   0   -  7.6-12.6
      HA    GLU  125 - HD2   PRO  340  far    0    75   0   -  7.8-45.7
    Violated in 0 structures by 0.00 A.
 
    Peak 4085 from c13no.peaks (8.57, 1.98, 32.16 ppm; 4.06 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLN  105 + HB2   PRO  109  far    0    96   0   -  8.1-8.9
    Violated in 20 structures by 4.55 A.
 
    Peak 4087 from c13no.peaks (2.38, 2.05, 34.43 ppm; 2.87 A):
    1 out of 3 assignments used, quality = 1.00:
    * HG2   GLN  101 + HG3   GLN  101  OK   100   100 100 100  1.8-1.8   1.8=100
      QG    GLN  105 - HG3   GLN  101  far    0    71   0   -  5.9-7.4
      HB2   PRO   98 - HG3   GLN  101  far    0    73   0   -  6.7-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 4088 from c13no.peaks (2.05, 2.05, 34.43 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HG3   GLN  101 + HG3   GLN  101  OK   100   100   - 100
 
    Peak 4089 from c13no.peaks (3.56, 2.05, 34.43 ppm; 3.75 A):
    1 out of 1 assignment used, quality = 1.00:
      HA    GLN  101 + HG3   GLN  101  OK   100   100 100 100  3.0-3.5   3.9=87, 656/1.8=78, 2.9/4105=52, 3331/3323=42...(25)
    Violated in 0 structures by 0.00 A.
 
    Peak 4090 from c13no.peaks (1.56, 2.05, 34.43 ppm; 4.42 A):
    1 out of 2 assignments used, quality = 0.87:
      HB2   LEU   96 + HG3   GLN  101  OK    87    87 100 100  2.1-2.9   4096/1.8=89, 1.8/4093=86, ~3599=73, 3.2/3323=65...(28)
      HG12  ILE  100 - HG3   GLN  101  far    0    92   0   -  5.9-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 4091 from c13no.peaks (1.47, 2.05, 34.43 ppm; 4.48 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ALA  102 + HG3   GLN  101  far    0    76   0   -  5.9-6.2
    Violated in 20 structures by 1.54 A.
 
    Peak 4092 from c13no.peaks (0.55, 2.05, 34.43 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 0.93:
      QD1   LEU   96 + HG3   GLN  101  OK    93    93 100 100  3.4-4.2   3323=93, 3503/1.8=88, 3.2/4093=67, 3.2/4090=62...(33)
    Violated in 0 structures by 0.00 A.
 
    Peak 4093 from c13no.peaks (0.89, 2.05, 34.43 ppm; 4.08 A):
    1 out of 7 assignments used, quality = 0.63:
      HB3   LEU   96 + HG3   GLN  101  OK    63    63 100 100  2.1-3.2   3599/1.8=70, 1.8/4090=67, ~4096=57, 3.2/3323=56...(30)
      QQG   VAL  104 - HG3   GLN  101  far    2    83   3   -  4.0-4.7
      QG2   ILE  100 - HG3   GLN  101  far    0    99   0   -  4.3-5.3
      QD1   ILE  100 - HG3   GLN  101  far    0    96   0   -  6.3-7.2
      QD1   LEU  122 - HG3   GLN  101  far    0    76   0   -  7.2-8.3
      QD2   LEU  122 - HG3   GLN  101  far    0    73   0   -  7.6-8.7
      QD2   LEU  118 - HG3   GLN  101  far    0    76   0   -  9.8-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 4094 from c13no.peaks (4.16, 2.05, 34.43 ppm; 4.41 A):
    1 out of 4 assignments used, quality = 0.78:
      HA    PRO   98 + HG3   GLN  101  OK    78   100  83  95  4.1-4.7   469/4105=53, 3437/5.1=37, 3435/4102=31, 3448/5.9=30...(11)
      HA    ALA  102 - HG3   GLN  101  far    0    71   0   -  6.6-6.7
      HA    GLU   99 - HG3   GLN  101  far    0    99   0   -  7.1-7.8
      HA    ARG  103 - HG3   GLN  101  far    0    71   0   -  9.1-9.6
    Violated in 4 structures by 0.05 A.
 
    Peak 4095 from c13no.peaks (4.16, 2.38, 34.43 ppm; 4.00 A increased from 3.77 A):
    1 out of 8 assignments used, quality = 0.42:
      HA    ALA  102 + QG    GLN  105  OK    42    43 100  99  2.3-3.8   1588=64, 1587/2.1=59, 513/4.2=41, 496/2.3=38...(10)
      HA    PRO   98 - HG2   GLN  101  far    0   100   0   -  4.7-5.8
      HA    ARG  103 - QG    GLN  105  far    0    43   0   -  5.5-6.9
      HA    ALA  102 - HG2   GLN  101  far    0    71   0   -  6.2-6.4
      HA    PRO   98 - QG    GLN  105  far    0    70   0   -  6.4-8.1
      HA    GLU   99 - QG    GLN  105  far    0    69   0   -  7.7-9.3
      HA    GLU   99 - HG2   GLN  101  far    0    99   0   -  7.8-8.2
      HA    ARG  103 - HG2   GLN  101  far    0    71   0   -  8.5-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 4096 from c13no.peaks (1.57, 2.38, 34.43 ppm; 3.81 A):
    1 out of 4 assignments used, quality = 0.71:
      HB2   LEU   96 + HG2   GLN  101  OK    71    71 100 100  1.9-2.2   4090/1.8=57, 3.2/3503=52, ~4093=47, 1198/1194=44...(25)
      HG12  ILE  100 - HG2   GLN  101  far    0    99   0   -  6.4-6.8
      HB2   LEU   96 - QG    GLN  105  far    0    43   0   -  6.8-8.3
      HG12  ILE  100 - QG    GLN  105  far    0    68   0   -  9.6-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 4097 from c13no.peaks (1.47, 2.38, 34.43 ppm; 3.94 A):
    0 out of 4 assignments used, quality = 0.00:
      QB    ALA  102 + QG    GLN  105  poor  15    46  33   -  3.8-5.0
      QB    ALA  102 + HG2   GLN  101  far    0    76   0   -  6.1-6.2
      HB3   LEU  118 + QG    GLN  105  far    0    70   0   -  9.4-10.3
      HB3   LEU  118 + HG2   GLN  101  far    0   100   0   -  9.6-10.3
    Violated in 12 structures by 0.45 A.
 
    Peak 4098 from c13no.peaks (2.06, 2.38, 34.43 ppm; 2.49 A):
    1 out of 8 assignments used, quality = 1.00:
      HG3   GLN  101 + HG2   GLN  101  OK   100   100 100 100  1.8-1.8   1.8=100
      HB2   GLN  101 - HG2   GLN  101  far    2   100   3   -  2.5-3.0
      HB2   GLN  101 - QG    GLN  105  far    0    71   0   -  4.5-6.3
      HG3   GLN  101 - QG    GLN  105  far    0    70   0   -  5.9-7.4
      HB3   PRO   97 - HG2   GLN  101  far    0    81   0   -  7.0-7.4
      QB    GLU   99 - HG2   GLN  101  far    0    97   0   -  7.6-8.3
      QB    GLU   99 - QG    GLN  105  far    0    66   0   -  8.5-9.9
      HB3   PRO   58 - HG2   GLN  101  far    0    85   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 4099 from c13no.peaks (1.96, 2.05, 34.43 ppm; 3.19 A):
    1 out of 5 assignments used, quality = 0.96:
      HB3   GLN  101 + HG3   GLN  101  OK    96    96 100 100  2.7-3.0   2.9=100
      HB3   PRO   98 - HG3   GLN  101  far    0    68   0   -  6.0-6.5
      HB    VAL  104 - HG3   GLN  101  far    0   100   0   -  6.5-7.5
      QB    ARG  123 - HG3   GLN  101  far    0    97   0   -  9.7-13.3
      HG    LEU  122 - HG3   GLN  101  far    0    63   0   -  9.9-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 4100 from c13no.peaks (6.71, 2.05, 34.43 ppm; 4.35 A):
    1 out of 2 assignments used, quality = 0.99:
      HE22  GLN  101 + HG3   GLN  101  OK    99    99 100 100  3.4-4.1   3.4=100
      HE22  GLN  105 - HG3   GLN  101  far    0    97   0   -  5.2-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 4101 from c13no.peaks (6.92, 2.05, 34.43 ppm; 5.25 A):
    1 out of 2 assignments used, quality = 0.97:
      H     LEU   96 + HG3   GLN  101  OK    97    97 100 100  3.4-3.8   1183/1.8=88, 3.0/3345=78, 3.8/4093=77, 1184=74...(10)
      QD    PHE   92 - HG3   GLN  101  far    0    99   0   -  7.5-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 4102 from c13no.peaks (7.36, 2.05, 34.43 ppm; 5.50 A increased from 5.04 A):
    1 out of 2 assignments used, quality = 0.90:
      H     ILE  100 + HG3   GLN  101  OK    90   100  90 100  4.9-5.6   231/4105=91, 3532/2.9=85, 3435/4094=60, 6.4/4089=50...(11)
      H     ARG  103 - HG3   GLN  101  far    0   100   0   -  6.3-7.0
    Violated in 4 structures by 0.02 A.
 
    Peak 4103 from c13no.peaks (7.62, 2.05, 34.43 ppm; 3.94 A):
    1 out of 2 assignments used, quality = 1.00:
      HE21  GLN  101 + HG3   GLN  101  OK   100   100 100 100  3.3-3.5   3.4=100
      H     ALA   95 - HG3   GLN  101  far    0    97   0   -  5.4-6.2
    Violated in 1 structures by 0.00 A.
 
    Peak 4104 from c13no.peaks (8.08, 2.05, 34.43 ppm; 5.25 A increased from 4.67 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ALA  102 + HG3   GLN  101  OK   100   100 100 100  4.6-5.0   5.1=100
      H     GLY  106 - HG3   GLN  101  far    0    96   0   -  9.4-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 4105 from c13no.peaks (8.50, 2.05, 34.43 ppm; 4.07 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLN  101 + HG3   GLN  101  OK   100   100 100 100  2.7-3.4   4109/1.8=82, 1135/2.9=68, 2.9/4089=66, 4.9=57...(25)
    Violated in 0 structures by 0.00 A.
 
    Peak 4106 from c13no.peaks (6.71, 2.38, 34.43 ppm; 3.69 A):
    2 out of 4 assignments used, quality = 1.00:
      HE22  GLN  101 + HG2   GLN  101  OK    99    99 100 100  2.2-3.5   3.4=100
      HE22  GLN  105 + QG    GLN  105  OK    65    65 100 100  3.2-3.4   2.3=100
      HE22  GLN  105 - HG2   GLN  101  far    0    97   0   -  4.0-4.8
      HE22  GLN  101 - QG    GLN  105  far    0    68   0   -  4.5-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 4107 from c13no.peaks (7.62, 2.38, 34.43 ppm; 3.56 A):
    1 out of 4 assignments used, quality = 1.00:
      HE21  GLN  101 + HG2   GLN  101  OK   100   100 100 100  2.1-2.3   3.4=100
      HE21  GLN  101 - QG    GLN  105  far    0    70   0   -  4.3-6.2
      H     ALA   95 - HG2   GLN  101  far    0    97   0   -  5.4-5.8
      H     ALA   95 - QG    GLN  105  far    0    65   0   -  9.6-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 4108 from c13no.peaks (8.08, 2.38, 34.43 ppm; 4.91 A increased from 4.37 A):
    3 out of 4 assignments used, quality = 0.99:
      H     ALA  102 + HG2   GLN  101  OK    97   100  98 100  4.8-4.9   1213/2.9=94, 5.1=89, 1214/2.9=88, 3.6/656=80...(11)
      H     GLY  106 + QG    GLN  105  OK    63    63 100 100  4.4-4.7   4.3=100
      H     ALA  102 + QG    GLN  105  OK    23    70  33 100  4.0-5.8   2.9/4095=82, ~1587=60, 1211/5.4=48, ~496=45...(8)
      H     GLY  106 - HG2   GLN  101  far    0    96   0   -  8.5-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 4109 from c13no.peaks (8.50, 2.38, 34.43 ppm; 3.81 A):
    1 out of 2 assignments used, quality = 0.97:
      H     GLN  101 + HG2   GLN  101  OK    97   100  98 100  3.0-3.3   4105/1.8=68, 2.9/656=62, 1135/2.9=61, 3535/2.9=49...(23)
      H     GLN  101 - QG    GLN  105  far    0    70   0   -  5.7-7.4
    Violated in 1 structures by 0.01 A.
 
    Peak 2 from c13ar.peaks (7.24, 7.24, 132.05 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    PHE   47 + QD    PHE   47  OK   100   100   - 100
 
    Peak 3 from c13ar.peaks (7.37, 7.37, 131.27 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QE    PHE   47 + QE    PHE   47  OK   100   100   - 100
 
    Peak 4 from c13ar.peaks (7.29, 7.29, 130.75 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QE    PHE   50 + QE    PHE   50  OK   100   100   - 100
 
    Peak 5 from c13ar.peaks (7.02, 7.02, 132.31 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    PHE   50 + QD    PHE   50  OK   100   100   - 100
 
    Peak 6 from c13ar.peaks (6.82, 6.82, 132.56 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    TYR   52 + QD    TYR   52  OK   100   100   - 100
 
    Peak 7 from c13ar.peaks (6.92, 6.92, 131.53 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QD    PHE   92 + QD    PHE   92  OK   100   100   - 100
 
    Peak 8 from c13ar.peaks (7.05, 7.05, 131.01 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QE    PHE   92 + QE    PHE   92  OK   100   100   - 100
 
    Peak 9 from c13ar.peaks (7.18, 7.18, 129.20 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HZ    PHE   47 + HZ    PHE   47  OK   100   100   - 100
 
    Peak 10 from c13ar.peaks (6.89, 6.89, 128.40 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HZ    PHE   92 + HZ    PHE   92  OK   100   100   - 100
 
    Peak 11 from c13ar.peaks (7.18, 7.18, 126.87 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD1   TRP   72 + HD1   TRP   72  OK   100   100   - 100
 
    Peak 12 from c13ar.peaks (7.40, 7.40, 125.83 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HH2   TRP   72 + HH2   TRP   72  OK   100   100   - 100
 
    Peak 13 from c13ar.peaks (7.10, 7.10, 120.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HZ3   TRP   72 + HZ3   TRP   72  OK   100   100   - 100
 
    Peak 14 from c13ar.peaks (7.04, 7.04, 120.66 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HD2   HIS   51 + HD2   HIS   51  OK   100   100   - 100
 
    Peak 15 from c13ar.peaks (6.54, 6.54, 118.07 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * QE    TYR   52 + QE    TYR   52  OK   100   100   - 100
 
    Peak 16 from c13ar.peaks (7.36, 7.36, 113.93 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HZ2   TRP   72 + HZ2   TRP   72  OK   100   100   - 100
 
    Peak 17 from c13ar.peaks (8.16, 8.16, 137.22 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE1   HIS   51 + HE1   HIS   51  OK   100   100   - 100
 
    Peak 18 from c13ar.peaks (7.11, 7.11, 120.14 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
    * HE3   TRP   72 + HE3   TRP   72  OK   100   100   - 100
 
    Peak 39 from c13ar.peaks (6.55, 6.82, 132.56 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 0.93:
      QE    TYR   52 + QD    TYR   52  OK    93    93 100 100  2.2-2.2   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 40 from c13ar.peaks (3.82, 6.82, 132.56 ppm; 3.20 A):
    1 out of 6 assignments used, quality = 0.98:
      HD2   PRO   97 + QD    TYR   52  OK    98   100 100  98  2.2-2.9   1.8/241=55, 1751/252=34, 3423/2.2=29, 2.3/245=29...(12)
      HA    GLU   54 - QD    TYR   52  far    0    97   0   -  4.5-4.9
      HD3   PRO   58 - QD    TYR   52  far    0   100   0   -  6.1-6.3
      HD3   PRO   98 - QD    TYR   52  far    0    92   0   -  7.8-8.5
      HA    GLU  113 - QD    TYR   52  far    0    78   0   -  9.0-9.8
      HA    VAL  104 - QD    TYR   52  far    0    76   0   -  9.2-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 41 from c13ar.peaks (4.10, 6.82, 132.56 ppm; 3.10 A increased from 2.92 A):
    1 out of 4 assignments used, quality = 0.94:
      HA    TYR   52 + QD    TYR   52  OK    94   100 100  94  2.1-3.0   3.7=57, 2073/61=39, 3.0/62=33, 2071/60=23...(11)
      HD2   PRO   58 - QD    TYR   52  far    0    98   0   -  5.1-5.5
      HA    ALA   63 - QD    TYR   52  far    0   100   0   -  9.3-10.8
      HA    GLN   64 - QD    TYR   52  far    0    83   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 42 from c13ar.peaks (4.62, 6.82, 132.56 ppm; 3.87 A):
    1 out of 1 assignment used, quality = 0.95:
      HA    PRO   58 + QD    TYR   52  OK    95    96 100  99  2.6-3.0   46/2.2=80, 1605/244=65, ~232=44, ~230=36...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 44 from c13ar.peaks (4.27, 6.82, 132.56 ppm; 3.66 A):
    0 out of 4 assignments used, quality = 0.00:
      HB    THR   56 + QD    TYR   52  far    0    73   0   -  6.9-7.6
      HA    THR   56 + QD    TYR   52  far    0    95   0   -  7.7-8.4
      HA    ALA   55 + QD    TYR   52  far    0    95   0   -  8.2-8.5
      HA    ALA  117 + QD    TYR   52  far    0    71   0   -  9.3-10.1
    Violated in 20 structures by 2.74 A.
 
    Peak 46 from c13ar.peaks (4.62, 6.54, 118.07 ppm; 3.34 A):
    1 out of 2 assignments used, quality = 0.99:
      HA    PRO   58 + QE    TYR   52  OK    99    99 100  99  1.9-2.1   2.3/232=61, 42/2.2=51, 2.3/230=42, 3.6/48=41...(14)
      HA    GLU  125 - QE    TYR   52  far    0    65   0   -  9.8-13.2
    Violated in 0 structures by 0.00 A.
 
    Peak 47 from c13ar.peaks (4.27, 6.54, 118.07 ppm; 3.73 A):
    0 out of 4 assignments used, quality = 0.00:
      HB    THR   56 + QE    TYR   52  far    0    73   0   -  6.8-7.6
      HA    THR   56 + QE    TYR   52  far    0    95   0   -  6.9-7.8
      HA    ALA   55 + QE    TYR   52  far    0    95   0   -  7.1-7.6
      HA    ALA  117 + QE    TYR   52  far    0    71   0   -  7.7-8.6
    Violated in 20 structures by 2.19 A.
 
    Peak 48 from c13ar.peaks (4.11, 6.54, 118.07 ppm; 3.48 A):
    1 out of 2 assignments used, quality = 0.90:
      HD2   PRO   58 + QE    TYR   52  OK    90    92 100  97  2.8-3.2   3.0/232=56, 3.6/46=47, 3.0/230=41, 1760/238=31...(10)
      HA    TYR   52 - QE    TYR   52  far    0   100   0   -  4.4-4.9
    Violated in 0 structures by 0.00 A.
 
    Peak 49 from c13ar.peaks (3.83, 6.54, 118.07 ppm; 3.64 A increased from 3.07 A):
    2 out of 7 assignments used, quality = 0.99:
      HA    GLU   54 + QE    TYR   52  OK    99    99 100 100  3.0-3.6   2183=92, 3.3/231=57, 2184/2.2=39, 2.5/2193=36...(13)
      HD2   PRO   97 + QE    TYR   52  OK    22    99  23 100  3.4-4.8   40/2.2=76, 1.8/228=57, ~241=42, 3413/240=39...(13)
      HD3   PRO   58 - QE    TYR   52  far    0    97   0   -  4.0-4.3
      HA    VAL  104 - QE    TYR   52  far    0    63   0   -  8.6-10.4
      HD3   PRO   98 - QE    TYR   52  far    0    97   0   -  8.7-10.0
      HA    GLU  113 - QE    TYR   52  far    0    65   0   -  8.8-9.8
      HD2   PRO  126 - QE    TYR   52  far    0   100   0   -  9.8-15.1
    Violated in 0 structures by 0.00 A.
 
    Peak 50 from c13ar.peaks (4.91, 7.18, 126.87 ppm; 3.10 A):
    1 out of 1 assignment used, quality = 0.49:
      HA    TRP   72 + HD1   TRP   72  OK    49    85  98  59  2.8-3.2   4.5=34, 3.0/220=23, 3.6/316=16, 227/220=3
    Violated in 4 structures by 0.01 A.
 
    Peak 51 from c13ar.peaks (4.70, 7.18, 126.87 ppm; 4.29 A increased from 3.61 A):
    1 out of 1 assignment used, quality = 0.95:
      HA    PRO   40 + HD1   TRP   72  OK    95    99 100  97  3.0-4.1   2.2/1567=64, 3.8/221=52, 3.8/222=45, ~251=38...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 52 from c13ar.peaks (4.47, 7.18, 126.87 ppm; 4.84 A increased from 4.56 A):
    1 out of 1 assignment used, quality = 0.96:
      HA    GLU   41 + HD1   TRP   72  OK    96    99 100  97  3.8-4.7   128/647=53, 4.8/1567=49, 5.3/51=47, 6.0/221=39...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 53 from c13ar.peaks (4.04, 7.18, 126.87 ppm; 4.70 A):
    0 out of 4 assignments used, quality = 0.00:
      HA    ALA   43 + HD1   TRP   72  far    0   100   0   -  6.9-8.0
      HA3   GLY   39 + HD1   TRP   72  far    0    85   0   -  7.2-8.2
      HA    ALA   42 + HD1   TRP   72  far    0    90   0   -  7.7-8.6
      HA    LEU   68 + HD1   TRP   72  far    0    73   0   -  8.8-10.1
    Violated in 20 structures by 1.80 A.
 
    Peak 54 from c13ar.peaks (8.44, 7.18, 126.87 ppm; 5.17 A increased from 4.13 A):
    1 out of 1 assignment used, quality = 0.87:
      H     ARG   44 + HD1   TRP   72  OK    87    87 100 100  4.1-5.0   647=87, 4.0/226=71, 160/52=64, 2.9/1842=55...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 55 from c13ar.peaks (6.82, 6.54, 118.07 ppm; 2.40 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    TYR   52 + QE    TYR   52  OK   100   100 100 100  2.2-2.2   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 56 from c13ar.peaks (7.34, 6.54, 118.07 ppm; 4.14 A):
    0 out of 2 assignments used, quality = 0.00:
      H     ILE  100 + QE    TYR   52  far    0    81   0   -  5.6-6.7
      H     ARG  103 + QE    TYR   52  far    0    90   0   -  8.4-9.7
    Violated in 20 structures by 2.20 A.
 
    Peak 57 from c13ar.peaks (7.75, 6.54, 118.07 ppm; 4.20 A):
    0 out of 4 assignments used, quality = 0.00:
      H     ALA   63 + QE    TYR   52  far    0    87   0   -  7.5-8.8
      H     ALA  117 + QE    TYR   52  far    0    93   0   -  7.7-8.5
      H     HIS   51 + QE    TYR   52  far    0    81   0   -  8.8-9.1
      H     GLY   94 + QE    TYR   52  far    0    60   0   -  9.3-10.1
    Violated in 20 structures by 2.73 A.
 
    Peak 58 from c13ar.peaks (7.65, 6.54, 118.07 ppm; 4.50 A):
    0 out of 3 assignments used, quality = 0.00:
      H     LEU  122 + QE    TYR   52  far    0   100   0   -  7.2-8.4
      HE21  GLN  101 + QE    TYR   52  far    0    63   0   -  8.9-9.6
      HE21  GLN   64 + QE    TYR   52  far    0   100   0   -  8.9-10.0
    Violated in 20 structures by 2.83 A.
 
    Peak 59 from c13ar.peaks (8.46, 6.54, 118.07 ppm; 4.29 A increased from 4.04 A):
    2 out of 2 assignments used, quality = 0.92:
      H     GLU   54 + QE    TYR   52  OK    84    87  98  99  3.3-4.3   3.0/2183=72, 4.4/231=57, 3.2/2193=48, 4.4/2087=34...(10)
      H     GLU   53 + QE    TYR   52  OK    49    99  50 100  3.8-4.5   61/2.2=87, 2073/2068=47, 2093/2087=39, 1672/1664=35...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 60 from c13ar.peaks (7.30, 6.82, 132.56 ppm; 4.32 A increased from 3.46 A):
    1 out of 1 assignment used, quality = 0.93:
      QE    PHE   50 + QD    TYR   52  OK    93    93 100  99  3.8-4.3   266/244=77, 262/2.1=73, 2071/41=63, 797/61=40...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 61 from c13ar.peaks (8.46, 6.82, 132.56 ppm; 3.55 A):
    1 out of 2 assignments used, quality = 0.97:
      H     GLU   53 + QD    TYR   52  OK    97    99 100  98  2.3-3.5   2073/41=58, 150=51, 1672/244=38, 2093/2088=31...(12)
      H     GLU   54 - QD    TYR   52  far    0    87   0   -  3.8-4.5
    Violated in 0 structures by 0.00 A.
 
    Peak 62 from c13ar.peaks (8.31, 6.82, 132.56 ppm; 4.17 A increased from 3.71 A):
    1 out of 1 assignment used, quality = 0.89:
      H     TYR   52 + QD    TYR   52  OK    89    89 100 100  4.0-4.2   3.0/41=80, 791/2.1=80, 4.6=77, 4.6/61=47...(14)
    Violated in 2 structures by 0.00 A.
 
    Peak 63 from c13ar.peaks (7.72, 6.82, 132.56 ppm; 4.34 A):
    0 out of 3 assignments used, quality = 0.00:
      H     THR   56 + QD    TYR   52  far    0    99   0   -  5.7-6.5
      H     ALA   63 + QD    TYR   52  far    0   100   0   -  6.7-8.4
      H     HIS   51 + QD    TYR   52  far    0   100   0   -  6.7-7.2
    Violated in 20 structures by 1.31 A.
 
    Peak 64 from c13ar.peaks (4.25, 8.16, 137.22 ppm; 5.18 A increased from 4.36 A):
    1 out of 3 assignments used, quality = 0.78:
      HA    GLU   53 + HE1   HIS   51  OK    78    78 100 100  4.6-5.0   3.3/258=84, 3.0/259=84, 3.0/260=76, 67/4.2=51
      HA    THR   56 - HE1   HIS   51  far    0   100   0   -  8.6-9.6
      HA    ALA   55 - HE1   HIS   51  far    0    73   0   -  8.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 65 from c13ar.peaks (8.37, 7.04, 120.66 ppm; 4.15 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 66 from c13ar.peaks (8.21, 7.04, 120.66 ppm; 4.55 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 67 from c13ar.peaks (4.24, 7.04, 120.66 ppm; 4.07 A):
    1 out of 1 assignment used, quality = 0.79:
      HA    GLU   53 + HD2   HIS   51  OK    79   100 100  79  3.8-4.0   96/2089=55, 5.4/69=29, 64/4.2=25, 6.4/152=11
    Violated in 0 structures by 0.00 A.
 
    Peak 69 from c13ar.peaks (4.13, 7.04, 120.66 ppm; 4.81 A increased from 4.28 A):
    1 out of 2 assignments used, quality = 0.57:
      HA    TYR   52 + HD2   HIS   51  OK    57    63 100  91  4.6-4.6   5.4/67=48, 6.2/2089=37, 3.0/152=35, 5.9/320=33...(7)
      HA    PHE   50 - HD2   HIS   51  far    0    96   0   -  7.3-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 70 from c13ar.peaks (7.03, 7.29, 130.75 ppm; 2.85 A):
    1 out of 3 assignments used, quality = 0.99:
      QD    PHE   50 + QE    PHE   50  OK    99    99 100 100  2.2-2.2   2.2=100
      QE    PHE   92 - QE    PHE   50  far    0    89   0   -  4.1-5.1
      HD2   HIS   51 - QE    PHE   50  far    0   100   0   -  6.2-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 71 from c13ar.peaks (4.32, 7.29, 130.75 ppm; 3.61 A):
    1 out of 2 assignments used, quality = 0.98:
      HA    ALA   61 + QE    PHE   50  OK    98   100 100  98  2.9-3.2   2.1/266=75, 2258=69, 2330/264=34, ~277=34...(6)
      HB    THR   56 - QE    PHE   50  far    0    65   0   -  6.0-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 72 from c13ar.peaks (4.12, 7.29, 130.75 ppm; 3.66 A):
    1 out of 4 assignments used, quality = 0.76:
      HA    TYR   52 + QE    PHE   50  OK    76    78 100  97  2.5-3.4   2071=55, 2.5/262=54, 3.7/60=35, 1717/267=33...(9)
      HA    PHE   50 - QE    PHE   50  far    0    87   0   -  4.6-4.7
      HA    GLN   64 - QE    PHE   50  far    0   100   0   -  4.7-5.8
      HA    ALA   63 - QE    PHE   50  far    0    78   0   -  7.6-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 74 from c13ar.peaks (7.30, 7.02, 132.31 ppm; 2.60 A):
    1 out of 1 assignment used, quality = 0.98:
      QE    PHE   50 + QD    PHE   50  OK    98    98 100 100  2.2-2.2   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 75 from c13ar.peaks (7.71, 7.02, 132.31 ppm; 3.77 A):
    1 out of 3 assignments used, quality = 0.94:
      H     HIS   51 + QD    PHE   50  OK    94    95 100  99  3.0-3.3   142=82, 796/81=65, 781/2.5=49, 787/1722=32...(11)
      H     ALA   63 - QD    PHE   50  far    0    90   0   -  7.5-8.1
      H     THR   56 - QD    PHE   50  far    0   100   0   -  9.1-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 76 from c13ar.peaks (7.75, 7.29, 130.75 ppm; 4.38 A):
    1 out of 4 assignments used, quality = 0.80:
      H     HIS   51 + QE    PHE   50  OK    80    81 100  99  4.0-4.2   142/2.2=66, 2406/272=38, 781/4.4=38, 5.9/72=36...(12)
      H     ALA   63 - QE    PHE   50  far    0    87   0   -  6.0-6.7
      H     GLY   94 - QE    PHE   50  far    0    60   0   -  7.7-9.3
      H     GLU   90 - QE    PHE   50  far    0   100   0   -  9.7-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 77 from c13ar.peaks (8.51, 7.29, 130.75 ppm; 4.45 A):
    0 out of 4 assignments used, quality = 0.00:
      H     LEU   68 + QE    PHE   50  far    0    99   0   -  6.7-7.9
      H     GLN   59 + QE    PHE   50  far    0    90   0   -  8.1-8.5
      H     LEU   89 + QE    PHE   50  far    0   100   0   -  9.2-10.7
      H     ALA  116 + QE    PHE   50  far    0   100   0   -  9.7-10.4
    Violated in 20 structures by 2.22 A.
 
    Peak 78 from c13ar.peaks (8.10, 7.29, 130.75 ppm; 5.50 A increased from 4.64 A):
    1 out of 1 assignment used, quality = 0.71:
      H     LEU   62 + QE    PHE   50  OK    71    71 100 100  4.7-5.4   3.6/266=94, 3.6/71=90, 887/271=50, 2392/270=7
    Violated in 0 structures by 0.00 A.
 
    Peak 79 from c13ar.peaks (8.39, 7.02, 132.31 ppm; 4.56 A):
    0 out of 2 assignments used, quality = 0.00:
      H     ARG   48 + QD    PHE   50  far    0    76   0   -  6.6-7.2
      H     ALA   55 + QD    PHE   50  far    0    99   0   - 10.0-10.5
    Violated in 20 structures by 2.29 A.
 
    Peak 80 from c13ar.peaks (8.15, 7.02, 132.31 ppm; 4.61 A):
    0 out of 4 assignments used, quality = 0.00:
      H     GLN   64 + QD    PHE   50  far    0    87   0   -  6.1-6.4
      H     LEU   62 + QD    PHE   50  far    0    65   0   -  6.5-7.0
      H     LEU   93 + QD    PHE   50  far    0    95   0   -  6.5-7.7
      HE1   HIS   51 + QD    PHE   50  far    0    97   0   -  6.8-7.1
    Violated in 20 structures by 0.76 A.
 
    Peak 81 from c13ar.peaks (4.14, 7.02, 132.31 ppm; 3.14 A):
    1 out of 2 assignments used, quality = 0.94:
      HA    PHE   50 + QD    PHE   50  OK    94   100 100  94  2.6-3.1   3.7=59, 796/75=38, 2035/281=22, ~772=19...(12)
      HA    GLN   64 - QD    PHE   50  far    0    83   0   -  5.8-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 82 from c13ar.peaks (4.46, 7.02, 132.31 ppm; 4.38 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 83 from c13ar.peaks (3.96, 7.02, 132.31 ppm; 4.01 A):
    0 out of 5 assignments used, quality = 0.00:
      HA    GLN   91 + QD    PHE   50  far    0    96   0   -  5.2-6.5
      HA    ARG   46 + QD    PHE   50  far    0    76   0   -  6.7-7.6
      HA    LEU   89 + QD    PHE   50  far    0    78   0   -  8.4-9.5
      HA    PRO  112 + QD    PHE   50  far    0    78   0   -  9.2-10.0
      HA    GLN   59 + QD    PHE   50  far    0   100   0   -  9.8-10.1
    Violated in 20 structures by 1.60 A.
 
    Peak 84 from c13ar.peaks (3.98, 7.29, 130.75 ppm; 5.01 A increased from 4.45 A):
    1 out of 5 assignments used, quality = 0.95:
      HA    PHE   92 + QE    PHE   50  OK    95    96 100 100  3.5-5.0   3240/2.2=79, 2394/271=77, 1604/266=62, 3232/267=58
      HA    GLN   91 - QE    PHE   50  far    0    97   0   -  7.0-8.3
      HA    GLN   59 - QE    PHE   50  far    0    71   0   -  8.0-8.3
      HA    PRO  112 - QE    PHE   50  far    0   100   0   -  8.7-9.9
      HA    ARG   46 - QE    PHE   50  far    0   100   0   -  8.8-9.7
    Violated in 1 structures by 0.00 A.
 
    Peak 85 from c13ar.peaks (7.92, 7.18, 129.20 ppm; 4.47 A):
    1 out of 1 assignment used, quality = 0.99:
      H     GLN   91 + HZ    PHE   47  OK    99   100 100 100  3.4-3.7   1150=87, 3.0/87=55, 3155/88=51, 4.9/295=44...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 86 from c13ar.peaks (8.58, 7.18, 129.20 ppm; 4.68 A):
    0 out of 1 assignment used, quality = 0.00:
      H     CYS   69 + HZ    PHE   47  far    0    96   0   -  5.5-6.6
    Violated in 20 structures by 1.41 A.
 
    Peak 87 from c13ar.peaks (3.97, 7.18, 129.20 ppm; 4.98 A increased from 4.42 A):
    1 out of 3 assignments used, quality = 0.98:
      HA    GLN   91 + HZ    PHE   47  OK    98   100 100  98  4.5-4.8   3.0/85=76, 4.0/295=67, ~98=49, 2.5/288=44
      HA    PHE   92 - HZ    PHE   47  far    0    73   0   -  6.6-7.3
      HA    PRO  112 - HZ    PHE   47  far    0    97   0   -  8.4-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 88 from c13ar.peaks (3.73, 7.18, 129.20 ppm; 3.37 A):
    1 out of 3 assignments used, quality = 0.94:
      HA    VAL   88 + HZ    PHE   47  OK    94    96 100  99  2.2-2.9   3153=56, 95/2.2=51, 3.2/294=44, 3.0/321=35...(13)
      HA3   GLY   94 - HZ    PHE   47  far    0    60   0   -  8.0-8.6
      HA    LEU   93 - HZ    PHE   47  far    0    73   0   -  9.8-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 90 from c13ar.peaks (7.38, 7.18, 129.20 ppm; 2.98 A):
    1 out of 4 assignments used, quality = 0.96:
      QE    PHE   47 + HZ    PHE   47  OK    96    96 100 100  2.2-2.2   2.2=100
      HH2   TRP   72 - HZ    PHE   47  far    0    89   0   -  5.0-6.0
      HZ2   TRP   72 - HZ    PHE   47  far    0    90   0   -  7.4-8.4
      H     GLU   67 - HZ    PHE   47  far    0    99   0   -  8.2-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 91 from c13ar.peaks (8.59, 7.37, 131.27 ppm; 4.82 A increased from 4.28 A):
    1 out of 1 assignment used, quality = 0.97:
      H     CYS   69 + QE    PHE   47  OK    97   100  98 100  3.9-4.8   96/2.2=87, 986/311=72, 984/312=59, 4.3/2524=44...(6)
    Violated in 2 structures by 0.01 A.
 
    Peak 92 from c13ar.peaks (4.32, 7.37, 131.27 ppm; 4.59 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    ALA   61 + QE    PHE   47  far    0    99   0   -  7.9-8.7
    Violated in 20 structures by 3.81 A.
 
    Peak 93 from c13ar.peaks (3.94, 7.37, 131.27 ppm; 4.23 A):
    1 out of 3 assignments used, quality = 0.63:
      HA    LEU   65 + QE    PHE   47  OK    63    63 100 100  2.8-3.9   102/2.2=74, 3.0/315=67, 3.7/319=61, 3.7/2397=52...(8)
      HA    GLN   91 - QE    PHE   47  far    0    73   0   -  4.7-5.0
      HA    LEU   89 - QE    PHE   47  far    0    97   0   -  6.4-7.0
    Violated in 0 structures by 0.00 A.
 
    Peak 95 from c13ar.peaks (3.73, 7.37, 131.27 ppm; 3.94 A):
    1 out of 3 assignments used, quality = 0.96:
      HA    VAL   88 + QE    PHE   47  OK    96    96 100 100  1.9-2.7   88/2.2=82, 3154=76, 3.2/316=57, 3.2/2762=47...(15)
      HA3   GLY   94 - QE    PHE   47  far    0    60   0   -  7.7-8.4
      HA    LEU   93 - QE    PHE   47  far    0    73   0   -  9.3-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 96 from c13ar.peaks (8.60, 7.24, 132.05 ppm; 4.09 A):
    1 out of 2 assignments used, quality = 0.96:
      H     CYS   69 + QD    PHE   47  OK    96    97 100  99  2.9-3.9   200=76, 91/2.2=54, 4.3/301=48, 4.3/2523=38...(9)
      H     LEU   65 - QD    PHE   47  far    0    60   0   -  5.0-5.5
    Violated in 0 structures by 0.00 A.
 
    Peak 97 from c13ar.peaks (7.96, 7.24, 132.05 ppm; 4.68 A):
    0 out of 3 assignments used, quality = 0.00:
      H     ARG   70 + QD    PHE   47  far    0   100   0   -  5.3-6.4
      H     LEU   73 + QD    PHE   47  far    0    60   0   -  6.3-7.0
      H     GLU   41 + QD    PHE   47  far    0   100   0   -  9.5-10.2
    Violated in 20 structures by 0.70 A.
 
    Peak 98 from c13ar.peaks (7.95, 7.37, 131.27 ppm; 4.60 A):
    1 out of 2 assignments used, quality = 0.62:
      H     GLN   91 + QE    PHE   47  OK    62    63 100  98  4.2-4.6   1150/2.2=51, ~87=38, 4.6/425=38, 3155/95=38...(10)
      H     ARG   70 - QE    PHE   47  far    0    90   0   -  5.7-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 99 from c13ar.peaks (7.37, 7.24, 132.05 ppm; 2.76 A):
    1 out of 5 assignments used, quality = 1.00:
      QE    PHE   47 + QD    PHE   47  OK   100   100 100 100  2.2-2.2   2.2=100
      HH2   TRP   72 - QD    PHE   47  far    0    60   0   -  4.5-5.2
      H     GLU   67 - QD    PHE   47  far    0    85   0   -  5.7-6.1
      HZ2   TRP   72 - QD    PHE   47  far    0   100   0   -  5.9-6.6
      H     TRP   72 - QD    PHE   47  far    0    76   0   -  6.4-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 100 from c13ar.peaks (7.25, 7.37, 131.27 ppm; 2.84 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE   47 + QE    PHE   47  OK   100   100 100 100  2.2-2.2   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 101 from c13ar.peaks (4.44, 7.24, 132.05 ppm; 3.53 A):
    1 out of 2 assignments used, quality = 0.97:
      HA    PHE   47 + QD    PHE   47  OK    97    98 100  99  2.8-3.2   3.7=85, 3.0/131=42, 3.6/137=33, 2379/2404=32...(13)
      HA    GLU   41 - QD    PHE   47  far    0    63   0   -  7.3-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 102 from c13ar.peaks (3.94, 7.24, 132.05 ppm; 4.08 A):
    1 out of 3 assignments used, quality = 0.76:
      HA    LEU   65 + QD    PHE   47  OK    76    76 100 100  2.3-2.7   93/2.2=66, 3.0/302=58, 3.7/2404=56, 2386=55...(10)
      HA    GLN   91 - QD    PHE   47  far    0    60   0   -  6.0-6.3
      HA    LEU   89 - QD    PHE   47  far    0   100   0   -  8.6-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 103 from c13ar.peaks (3.78, 7.24, 132.05 ppm; 5.30 A increased from 4.24 A):
    1 out of 5 assignments used, quality = 0.87:
      HA    LEU   45 + QD    PHE   47  OK    87    90 100  96  4.7-5.2   673/131=58, 1958/137=56, 764/8.1=25, 8.0/1837=25...(9)
      HA    ARG   66 - QD    PHE   47  far   12    81  15   -  5.2-6.0
      HA    LEU   84 - QD    PHE   47  far    0    90   0   -  6.6-7.2
      HA    LEU   62 - QD    PHE   47  far    0   100   0   -  6.9-7.4
      HA3   GLY   94 - QD    PHE   47  far    0    78   0   -  9.0-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 104 from c13ar.peaks (7.92, 7.18, 126.87 ppm; 4.34 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLY  128 + HD1   TRP  372  far    0    78   0   -  6.9-49.8
    Violated in 20 structures by 99.88 A.
 
    Peak 105 from c13ar.peaks (7.05, 6.92, 131.53 ppm; 2.49 A):
    1 out of 2 assignments used, quality = 1.00:
      QE    PHE   92 + QD    PHE   92  OK   100   100 100 100  2.2-2.2   2.2=100
      HD2   HIS   51 - QD    PHE   92  far    0    89   0   -  8.1-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 106 from c13ar.peaks (8.13, 6.92, 131.53 ppm; 4.21 A):
    2 out of 3 assignments used, quality = 1.00:
      H     LEU   93 + QD    PHE   92  OK   100   100 100 100  2.9-3.5   440=100, 444/2.4=81, 3294/3289=50, 421/4.5=49...(18)
      H     LEU   62 + QD    PHE   92  OK    71    98  73 100  3.3-4.5   186=74, 187/2.2=60, 888/147=55, 3.0/1852=52...(9)
      H     GLN   64 - QD    PHE   92  far    0   100   0   -  6.3-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 107 from c13ar.peaks (3.78, 6.92, 131.53 ppm; 3.97 A):
    2 out of 8 assignments used, quality = 0.88:
      HA    LEU   93 + QD    PHE   92  OK    65    65 100  99  2.8-3.6   3.0/440=59, 112/2.2=50, 3.9/3289=46, 3332/148=39...(12)
      HA    LEU   62 + QD    PHE   92  OK    64   100  65  99  2.8-4.4   1852=58, 147/147=56, 2368/2395=47, 3.0/186=47...(10)
      HA    GLU  113 - QD    PHE   92  far    0    85   0   -  5.8-6.4
      HD3   PRO  112 - QD    PHE   92  far    0    65   0   -  6.4-7.1
      HA2   GLY   94 - QD    PHE   92  far    0    98   0   -  7.0-7.6
      HA3   GLY   94 - QD    PHE   92  far    0    78   0   -  7.0-7.5
      HA    VAL  104 - QD    PHE   92  far    0    87   0   -  8.1-9.0
      HA    ARG   66 - QD    PHE   92  far    0    81   0   -  8.4-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 108 from c13ar.peaks (3.98, 6.92, 131.53 ppm; 3.39 A):
    2 out of 7 assignments used, quality = 0.98:
      HA    PHE   92 + QD    PHE   92  OK    95    96 100  99  2.4-3.1   3.7=75, 2394/2395=40, 3.6/440=37, 3.0/129=36...(15)
      HA    PRO  112 + QD    PHE   92  OK    56   100  63  90  3.1-4.0   3742/145=44, 2289/147=36, 3744/3200=32, 3743/2760=23...(9)
      HA    GLN   59 - QD    PHE   92  far    0    71   0   -  6.0-6.7
      HA    GLN   91 - QD    PHE   92  far    0    97   0   -  6.6-6.7
      HB3   SER  111 - QD    PHE   92  far    0    95   0   -  8.0-8.9
      HA    ILE  100 - QD    PHE   92  far    0    57   0   -  9.4-10.1
      HA    GLN  105 - QD    PHE   92  far    0    99   0   -  9.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 109 from c13ar.peaks (6.55, 7.05, 131.01 ppm; 4.04 A):
    1 out of 1 assignment used, quality = 0.93:
      QE    TYR   52 + QE    PHE   92  OK    93    93 100 100  2.8-3.8   115/2.2=64, 1664/1666=52, 240/167=47, 238/3977=43...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 110 from c13ar.peaks (4.63, 7.05, 131.01 ppm; 4.46 A):
    1 out of 1 assignment used, quality = 0.87:
      HA    PRO   58 + QE    PHE   92  OK    87    87 100 100  1.9-2.6   2.3/159=81, 2.3/156=77, 116/2.2=68, 1605/1666=67...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 111 from c13ar.peaks (3.97, 7.05, 131.01 ppm; 3.44 A):
    0 out of 8 assignments used, quality = 0.00:
      HA    PHE   92 + QE    PHE   92  far    0    73   0   -  4.4-4.8
      HA    PRO  112 + QE    PHE   92  far    0    97   0   -  4.6-5.3
      HA    GLN   59 + QE    PHE   92  far    0    95   0   -  4.8-5.4
      HB3   SER  111 + QE    PHE   92  far    0    71   0   -  8.6-9.3
      HA    GLN   91 + QE    PHE   92  far    0   100   0   -  8.6-8.7
      QA    GLY  121 + QE    PHE   92  far    0    99   0   -  8.7-9.1
      QA    GLY  127 + QE    PHE   92  far    0   100   0   -  9.7-18.6
      HA    GLN  105 + QE    PHE   92  far    0   100   0   -  9.8-10.3
    Violated in 20 structures by 0.59 A.
 
    Peak 112 from c13ar.peaks (3.78, 7.05, 131.01 ppm; 4.85 A increased from 4.08 A):
    1 out of 8 assignments used, quality = 0.62:
      HA    LEU   93 + QE    PHE   92  OK    62    65  95  99  4.1-4.9   3.9/164=73, 3332/165=55, ~440=52, 107/2.2=46...(10)
      HA    LEU   62 - QE    PHE   92  poor  20   100  20   -  3.9-5.7
      HA    GLU  113 - QE    PHE   92  far    0    85   0   -  5.6-6.3
      HA    VAL  104 - QE    PHE   92  far    0    87   0   -  7.4-8.0
      HD3   PRO  112 - QE    PHE   92  far    0    65   0   -  7.9-8.6
      HA2   GLY   94 - QE    PHE   92  far    0    98   0   -  8.4-9.0
      HA3   GLY   94 - QE    PHE   92  far    0    78   0   -  8.7-9.1
      HA    ARG   66 - QE    PHE   92  far    0    81   0   -  9.9-11.0
    Violated in 2 structures by 0.03 A.
 
    Peak 113 from c13ar.peaks (7.05, 6.89, 128.40 ppm; 3.00 A):
    1 out of 2 assignments used, quality = 1.00:
      QE    PHE   92 + HZ    PHE   92  OK   100   100 100 100  2.2-2.2   2.2=100
      HD2   HIS   51 - HZ    PHE   92  far    0    89   0   -  9.6-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 114 from c13ar.peaks (6.90, 7.05, 131.01 ppm; 2.40 A):
    2 out of 5 assignments used, quality = 1.00:
      HZ    PHE   92 + QE    PHE   92  OK    99    99 100 100  2.2-2.2   2.2=100
      QD    PHE   92 + QE    PHE   92  OK    87    87 100 100  2.2-2.2   2.2=100
      HE22  GLN   59 - QE    PHE   92  far    0    93   0   -  5.6-6.1
      HE22  GLN  107 - QE    PHE   92  far    0   100   0   -  8.3-10.0
      HE22  GLN   64 - QE    PHE   92  far    0    60   0   -  9.4-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 115 from c13ar.peaks (6.55, 6.89, 128.40 ppm; 4.30 A):
    1 out of 1 assignment used, quality = 0.93:
      QE    TYR   52 + HZ    PHE   92  OK    93    93 100 100  2.5-4.2   109/2.2=77, 3974/181=54, 46/116=53, 240/183=50...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 116 from c13ar.peaks (4.62, 6.89, 128.40 ppm; 4.37 A):
    1 out of 1 assignment used, quality = 0.99:
      HA    PRO   58 + HZ    PHE   92  OK    99    99 100 100  2.7-3.3   2.3/170=86, 2.3/168=86, 110/2.2=63, 46/115=55...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 117 from c13ar.peaks (3.93, 6.89, 128.40 ppm; 3.47 A):
    1 out of 4 assignments used, quality = 0.97:
      HA    ALA  116 + HZ    PHE   92  OK    97    97 100 100  1.9-2.5   3892=71, 2.1/176=58, 3959/174=38, 2136/168=34...(17)
      HA    GLN   59 - HZ    PHE   92  far    0    81   0   -  5.4-6.1
      HA    ALA  115 - HZ    PHE   92  far    0   100   0   -  5.8-6.2
      HA    LEU   89 - HZ    PHE   92  far    0   100   0   -  7.9-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 119 from c13ar.peaks (7.12, 7.36, 113.93 ppm; 4.37 A increased from 3.68 A):
    1 out of 2 assignments used, quality = 0.89:
      HZ3   TRP   72 + HZ2   TRP   72  OK    89    89 100 100  4.3-4.3   4.3=100
      HE3   TRP   72 - HZ2   TRP   72  far    0   100   0   -  5.0-5.0
    Violated in 0 structures by 0.00 A.
 
    Peak 120 from c13ar.peaks (4.51, 7.40, 125.83 ppm; 3.94 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    LEU   87 + HH2   TRP   72  far    0    96   0   -  4.4-5.2
    Violated in 20 structures by 0.89 A.
 
    Peak 121 from c13ar.peaks (4.50, 7.36, 113.93 ppm; 4.43 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    LEU   87 + HZ2   TRP   72  far    0   100   0   -  6.7-7.5
    Violated in 20 structures by 2.73 A.
 
    Peak 122 from c13ar.peaks (3.31, 7.11, 120.14 ppm; 3.77 A):
    1 out of 1 assignment used, quality = 0.95:
      HB2   TRP   72 + HE3   TRP   72  OK    95    97 100  99  2.4-2.5   1.8/124=72, 4.2=71, 212/2.5=34, 2638/123=31...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 123 from c13ar.peaks (3.12, 7.11, 120.14 ppm; 3.94 A):
    1 out of 1 assignment used, quality = 0.91:
      HA    CYS   69 + HE3   TRP   72  OK    91    98 100  92  1.9-2.2   213/2.5=58, 2637/124=37, 2638/122=35, 3.6/136=32...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 124 from c13ar.peaks (2.77, 7.11, 120.14 ppm; 3.85 A):
    1 out of 1 assignment used, quality = 0.98:
      HB3   TRP   72 + HE3   TRP   72  OK    98    99 100 100  2.5-3.9   1.8/122=77, 4.2=76, 2637/123=34, 2633/125=33...(13)
    Violated in 1 structures by 0.00 A.
 
    Peak 125 from c13ar.peaks (1.62, 7.11, 120.14 ppm; 4.81 A increased from 4.53 A):
    1 out of 6 assignments used, quality = 0.96:
      QB    ALA   43 + HE3   TRP   72  OK    96    98 100  98  4.0-4.7   1629/4.2=67, 1630/4.2=60, 1632/5.1=54, 1652/6.0=40...(6)
      QG    ARG   48 - HE3   TRP   72  far    0   100   0   -  5.0-8.5
      QG    ARG   46 - HE3   TRP   72  far    0    60   0   -  6.5-9.7
      HG    LEU   45 - HE3   TRP   72  far    0   100   0   -  8.4-10.5
      QG    ARG   66 - HE3   TRP   72  far    0    65   0   -  8.9-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 127 from c13ar.peaks (10.33, 7.18, 126.87 ppm; 3.17 A):
    1 out of 1 assignment used, quality = 1.00:
      HE1   TRP   72 + HD1   TRP   72  OK   100   100 100 100  2.6-2.6   2.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 128 from c13ar.peaks (10.33, 7.36, 113.93 ppm; 3.83 A):
    1 out of 1 assignment used, quality = 1.00:
      HE1   TRP   72 + HZ2   TRP   72  OK   100   100 100 100  2.8-2.8   2.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 129 from c13ar.peaks (9.18, 6.92, 131.53 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 0.78:
      H     PHE   92 + QD    PHE   92  OK    78    78 100 100  4.1-4.2   4.5=96, 3250/2.4=78, 3.0/108=51, 2401/2395=50...(18)
    Violated in 0 structures by 0.00 A.
 
    Peak 130 from c13ar.peaks (7.76, 7.05, 131.01 ppm; 4.78 A increased from 4.49 A):
    1 out of 4 assignments used, quality = 0.57:
      H     ALA   61 + QE    PHE   92  OK    57    57 100 100  3.7-4.5   2.9/158=90, 4.6/132=52, 869=45, ~171=42...(9)
      H     ALA  117 - QE    PHE   92  far   17   100  18   -  4.8-5.5
      H     GLY   94 - QE    PHE   92  far    0    90   0   -  6.9-7.4
      H     GLU   90 - QE    PHE   92  far    0    96   0   -  8.7-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 131 from c13ar.peaks (7.88, 7.05, 131.01 ppm; 4.86 A increased from 4.57 A):
    1 out of 1 assignment used, quality = 0.68:
      H     VAL  119 + QE    PHE   92  OK    68    68 100 100  4.2-4.9   4.0/163=73, 582=65, 4.0/3977=60, 627/2.2=46...(11)
    Violated in 1 structures by 0.00 A.
 
    Peak 132 from c13ar.peaks (8.11, 7.05, 131.01 ppm; 4.42 A):
    1 out of 4 assignments used, quality = 0.99:
      H     LEU   62 + QE    PHE   92  OK    99    99 100 100  2.8-4.4   187=83, 882/1666=75, 186/2.2=68, 888/166=52...(11)
      H     LEU   93 - QE    PHE   92  far    0    78   0   -  5.1-5.6
      H     GLN   64 - QE    PHE   92  far    0    89   0   -  6.6-7.7
      H     ALA  102 - QE    PHE   92  far    0    57   0   -  9.8-10.6
    Violated in 2 structures by 0.00 A.
 
    Peak 133 from c13ar.peaks (8.50, 7.05, 131.01 ppm; 4.67 A):
    1 out of 4 assignments used, quality = 0.97:
      H     ALA  116 + QE    PHE   92  OK    97    97 100 100  3.0-4.0   964=82, 2.9/162=80, 982/1688=75, ~117=53...(14)
      H     GLN   59 - QE    PHE   92  far   15    99  15   -  4.6-5.3
      H     GLN  101 - QE    PHE   92  far    0   100   0   -  7.7-8.7
      H     LEU   89 - QE    PHE   92  far    0    96   0   -  8.4-8.8
    Violated in 0 structures by 0.00 A.
 
    Peak 134 from c13ar.peaks (9.93, 7.40, 125.83 ppm; 5.16 A increased from 4.58 A):
    1 out of 1 assignment used, quality = 0.51:
      HE    ARG   48 + HH2   TRP   72  OK    51   100  95  53  3.6-5.2   1345=40, 2.9/1988=21
    Violated in 3 structures by 0.00 A.
 
    Peak 135 from c13ar.peaks (10.33, 7.40, 125.83 ppm; 5.05 A):
    1 out of 1 assignment used, quality = 1.00:
      HE1   TRP   72 + HH2   TRP   72  OK   100   100 100 100  5.0-5.0   5.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 136 from c13ar.peaks (7.96, 7.11, 120.14 ppm; 5.45 A increased from 4.59 A):
    1 out of 2 assignments used, quality = 0.93:
      H     ARG   70 + HE3   TRP   72  OK    93   100  98  95  4.8-5.5   3.6/123=85, 991/208=55, 222/8.8=22
      H     GLU   41 - HE3   TRP   72  far    0   100   0   -  8.4-8.8
    Violated in 1 structures by 0.00 A.
 
    Peak 137 from c13ar.peaks (8.04, 7.11, 120.14 ppm; 4.64 A):
    0 out of 2 assignments used, quality = 0.00:
      H     LEU   84 + HE3   TRP   72  far    0   100   0   -  8.0-8.7
      H     CYS   49 + HE3   TRP   72  far    0    90   0   -  8.4-9.1
    Violated in 20 structures by 2.98 A.
 
    Peak 138 from c13ar.peaks (4.21, 7.36, 113.93 ppm; 4.79 A):
    0 out of 3 assignments used, quality = 0.00:
      HA    LEU   86 + HZ2   TRP   72  far    0    76   0   -  9.3-10.1
      HA    ALA  117 + HZ2   TRP  372  far    0    63   0   -  9.7-60.2
      HA    LEU  118 + HZ2   TRP  372  far    0    81   0   -  9.7-58.2
    Violated in 20 structures by 5.01 A.
 
    Peak 139 from c13ar.peaks (4.06, 7.36, 113.93 ppm; 4.98 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    ALA   43 + HZ2   TRP   72  far    0    92   0   -  9.7-10.7
    Violated in 20 structures by 5.41 A.
 
    Peak 140 from c13ar.peaks (6.56, 6.92, 131.53 ppm; 5.50 A increased from 4.66 A):
    1 out of 1 assignment used, quality = 0.87:
      QE    TYR   52 + QD    PHE   92  OK    87    92  95 100  4.8-5.6   109/2.2=98, 115/3.8=79, 240/153=67, 239/148=60...(7)
    Violated in 8 structures by 0.03 A.
 
    Peak 141 from c13ar.peaks (3.08, 6.92, 131.53 ppm; 3.42 A):
    1 out of 2 assignments used, quality = 0.83:
      HB2   PHE   92 + QD    PHE   92  OK    83    83 100 100  2.3-2.4   2.4=100
      HD2   ARG   66 - QD    PHE   92  far    0    99   0   -  8.8-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 142 from c13ar.peaks (2.33, 6.92, 131.53 ppm; 4.51 A):
    0 out of 5 assignments used, quality = 0.00:
      HB    VAL   88 + QD    PHE   92  far    0   100   0   -  5.3-6.8
      HG3   GLU   60 + QD    PHE   92  far    0    63   0   -  7.9-9.3
      QB    GLN  107 + QD    PHE   92  far    0    65   0   -  8.6-10.8
      HB2   LEU   87 + QD    PHE   92  far    0   100   0   -  9.1-9.7
      QG    GLU   99 + QD    PHE   92  far    0    96   0   -  9.8-11.6
    Violated in 20 structures by 1.45 A.
 
    Peak 143 from c13ar.peaks (2.33, 7.22, 131.53 ppm; 4.80 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 144 from c13ar.peaks (1.91, 6.92, 131.53 ppm; 3.52 A):
    2 out of 8 assignments used, quality = 0.92:
      QB    ALA   61 + QD    PHE   92  OK    88    89 100  99  1.9-2.8   158/2.2=71, 1598/2395=34, 882/186=33, 1595/147=29...(13)
      HB2   LEU   93 + QD    PHE   92  OK    34    83  43  97  3.3-5.1   3.1/3289=44, 4.0/440=36, 3.1/3296=31, ~164=26...(14)
      HB3   PRO  112 - QD    PHE   92  far    0   100   0   -  4.4-5.2
      HG    LEU  118 - QD    PHE   92  far    0    73   0   -  6.0-6.9
      HB3   PRO  109 - QD    PHE   92  far    0    73   0   -  6.5-7.3
      HB3   GLU  113 - QD    PHE   92  far    0    99   0   -  7.9-8.6
      HG    LEU  122 - QD    PHE   92  far    0    73   0   -  9.5-10.1
      HB3   ARG  103 - QD    PHE   92  far    0    99   0   - 10.0-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 145 from c13ar.peaks (1.41, 6.92, 131.53 ppm; 3.29 A):
    1 out of 3 assignments used, quality = 0.97:
      QB    ALA  115 + QD    PHE   92  OK    97    99 100  98  2.1-2.7   1687=74, 180/2.2=54, 3320/148=27, 1678/147=24...(12)
      HG    LEU   62 - QD    PHE   92  far    2    83   3   -  3.2-5.2
      QB    ALA   55 - QD    PHE   92  far    0    83   0   -  9.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 147 from c13ar.peaks (0.29, 6.92, 131.53 ppm; 3.74 A):
    1 out of 2 assignments used, quality = 1.00:
      QD2   LEU   62 + QD    PHE   92  OK   100   100 100 100  2.1-3.5   2308=96, 166/2.2=53, 2361/2395=44, 3238/2.4=40...(22)
      QD1   LEU   73 - QD    PHE   92  far    0    99   0   -  9.9-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 148 from c13ar.peaks (0.54, 6.92, 131.53 ppm; 3.90 A):
    1 out of 1 assignment used, quality = 0.95:
      QD1   LEU   96 + QD    PHE   92  OK    95   100  95 100  3.0-4.1   165/2.2=70, 3318/3289=54, 2.1/153=49, 3353=48...(16)
    Violated in 2 structures by 0.01 A.
 
    Peak 149 from c13ar.peaks (0.77, 6.92, 131.53 ppm; 3.14 A):
    2 out of 2 assignments used, quality = 0.94:
      QD1   LEU   65 + QD    PHE   92  OK    81    83 100  98  2.1-2.9   2395=52, 3233/2.4=35, 2261/147=34, 2394/3.7=30...(17)
      QD2   LEU   93 + QD    PHE   92  OK    69    73 100  95  2.2-3.0   164/2.2=52, 3289=36, 3318/148=31, 767/440=30...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 150 from c13ar.peaks (0.91, 6.92, 131.53 ppm; 3.72 A):
    0 out of 8 assignments used, quality = 0.00:
      QG1   VAL   88 + QD    PHE   92  far    0   100   0   -  3.9-5.1
      QD1   LEU   93 + QD    PHE   92  far    0    63   0   -  4.1-4.8
      QD1   LEU  118 + QD    PHE   92  far    0    71   0   -  5.0-5.9
      QG2   ILE  100 + QD    PHE   92  far    0    99   0   -  5.6-6.2
      QD2   LEU  118 + QD    PHE   92  far    0    99   0   -  6.0-6.7
      HB3   LEU   96 + QD    PHE   92  far    0    95   0   -  6.3-6.9
      QD1   ILE  100 + QD    PHE   92  far    0    65   0   -  7.2-7.7
      QD2   LEU   86 + QD    PHE   92  far    0    89   0   -  9.8-10.6
    Violated in 10 structures by 0.10 A.
 
    Peak 151 from c13ar.peaks (1.07, 6.92, 131.53 ppm; 4.39 A increased from 4.13 A):
    1 out of 2 assignments used, quality = 0.64:
      QG1   VAL  119 + QD    PHE   92  OK    64    65 100  98  3.9-4.4   3973/2.2=58, 3319/148=50, ~3977=47, 3972/3.8=43...(8)
      QD1   LEU   68 - QD    PHE   92  far    0    83   0   -  7.5-8.4
    Violated in 3 structures by 0.00 A.
 
    Peak 152 from c13ar.peaks (2.08, 6.92, 131.53 ppm; 5.28 A increased from 4.22 A):
    2 out of 8 assignments used, quality = 0.98:
      HB2   PRO  112 + QD    PHE   92  OK    90    93  98  99  4.5-5.3   2266/147=77, 3794/2760=59, 3793/3200=45, 2.3/108=37...(9)
      HB3   PRO   58 + QD    PHE   92  OK    78    98  80 100  4.9-5.6   159/2.2=95, 170/3.8=82, ~156=74, ~2170=65...(9)
      HG2   PRO  109 - QD    PHE   92  far    2    78   3   -  5.3-6.2
      QB    GLU  114 - QD    PHE   92  far    0    57   0   -  6.4-7.0
      QB    GLN   59 - QD    PHE   92  far    0    68   0   -  7.3-7.9
      HB2   GLN  101 - QD    PHE   92  far    0    65   0   -  8.9-9.9
      HG3   PRO   97 - QD    PHE   92  far    0    90   0   -  9.1-9.7
      QB    GLN  105 - QD    PHE   92  far    0    97   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 153 from c13ar.peaks (-0.07, 6.92, 131.53 ppm; 4.82 A increased from 4.53 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   96 + QD    PHE   92  OK    99    99 100 100  3.0-4.8   2.1/148=93, 167/2.2=87, 183/3.8=65, ~165=64...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 154 from c13ar.peaks (3.08, 7.05, 131.01 ppm; 4.49 A increased from 3.78 A):
    1 out of 2 assignments used, quality = 0.83:
      HB2   PHE   92 + QE    PHE   92  OK    83    83 100 100  4.4-4.4   4.4=100
      HD2   ARG   66 - QE    PHE   92  far    0    99   0   -  9.5-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 155 from c13ar.peaks (3.21, 7.05, 131.01 ppm; 4.47 A):
    0 out of 2 assignments used, quality = 0.00:
      HD3   PRO   97 + QE    PHE   92  far    0    65   0   -  6.4-7.1
      QD    ARG  124 + QE    PHE   92  far    0    96   0   - 10.0-14.0
    Violated in 20 structures by 2.31 A.
 
    Peak 156 from c13ar.peaks (2.39, 7.05, 131.01 ppm; 4.20 A):
    1 out of 5 assignments used, quality = 1.00:
      HB2   PRO   58 + QE    PHE   92  OK   100   100 100 100  2.8-3.6   168/2.2=83, 1.8/159=82, 2.3/110=64, 2170=62...(18)
      HG2   GLN  101 - QE    PHE   92  far    0    92   0   -  6.6-7.6
      HG2   GLU   60 - QE    PHE   92  far    0    89   0   -  7.1-8.4
      HG2   GLU  114 - QE    PHE   92  far    0   100   0   -  8.8-9.5
      QG    GLN  105 - QE    PHE   92  far    0    97   0   -  9.6-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 157 from c13ar.peaks (2.28, 7.05, 131.01 ppm; 4.81 A increased from 4.05 A):
    2 out of 8 assignments used, quality = 0.99:
      HB    VAL  119 + QE    PHE   92  OK    98    98 100 100  3.5-4.9   2.1/163=96, 2.1/3977=82, 3966/2.2=76, ~174=68...(11)
      HG2   PRO   58 + QE    PHE   92  OK    30    87  35 100  4.8-5.3   2.3/159=88, 2.3/156=85, ~170=64, ~168=63...(14)
      QG    GLU   54 - QE    PHE   92  far    0    92   0   -  5.9-6.9
      HB2   GLN   64 - QE    PHE   92  far    0   100   0   -  7.6-8.2
      QB    GLN  107 - QE    PHE   92  far    0    83   0   -  7.9-9.9
      HG2   PRO   97 - QE    PHE   92  far    0   100   0   -  8.1-8.9
      HG3   GLU  114 - QE    PHE   92  far    0    98   0   -  8.3-9.1
      HB2   LEU   89 - QE    PHE   92  far    0    95   0   -  8.5-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 158 from c13ar.peaks (1.91, 7.05, 131.01 ppm; 3.31 A):
    1 out of 8 assignments used, quality = 0.87:
      QB    ALA   61 + QE    PHE   92  OK    87    89 100  98  1.9-2.7   1666=71, 144/2.2=42, 882/132=31, 2.9/130=30...(10)
      HG    LEU  118 - QE    PHE   92  far    0    73   0   -  4.5-5.2
      HB2   LEU   93 - QE    PHE   92  far    0    83   0   -  5.1-6.5
      HB3   PRO  112 - QE    PHE   92  far    0   100   0   -  6.1-6.8
      HB3   PRO  109 - QE    PHE   92  far    0    73   0   -  6.5-7.2
      HG    LEU  122 - QE    PHE   92  far    0    73   0   -  7.5-8.1
      HB3   GLU  113 - QE    PHE   92  far    0    99   0   -  7.7-8.5
      HB3   ARG  103 - QE    PHE   92  far    0    99   0   -  8.6-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 159 from c13ar.peaks (2.09, 7.05, 131.01 ppm; 3.99 A):
    1 out of 7 assignments used, quality = 0.92:
      HB3   PRO   58 + QE    PHE   92  OK    92    92 100 100  2.7-3.5   170/2.2=78, 1.8/156=70, 2.3/110=58, ~168=52...(18)
      HG2   PRO  109 - QE    PHE   92  far    0    90   0   -  5.3-6.6
      HB2   PRO  112 - QE    PHE   92  far    0    99   0   -  5.7-6.4
      QB    GLN   59 - QE    PHE   92  far    0    83   0   -  6.1-6.5
      QB    GLU  114 - QE    PHE   92  far    0    73   0   -  6.1-6.9
      HG3   PRO   97 - QE    PHE   92  far    0    97   0   -  8.2-8.9
      QB    GLN  105 - QE    PHE   92  far    0   100   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 160 from c13ar.peaks (1.62, 7.05, 131.01 ppm; 4.22 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ALA   95 + QE    PHE   92  far    0    98   0   -  5.4-5.9
    Violated in 20 structures by 1.46 A.
 
    Peak 162 from c13ar.peaks (1.26, 7.05, 131.01 ppm; 3.86 A):
    1 out of 3 assignments used, quality = 0.90:
      QB    ALA  116 + QE    PHE   92  OK    90    90 100 100  3.0-3.5   176/2.2=70, 1657=54, ~117=45, 2.9/133=45...(18)
      QG2   THR   56 - QE    PHE   92  far    0    83   0   -  5.0-5.9
      HG3   GLN   91 - QE    PHE   92  far    0    90   0   -  6.9-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 163 from c13ar.peaks (1.10, 7.05, 131.01 ppm; 3.55 A):
    1 out of 2 assignments used, quality = 1.00:
      QG1   VAL  119 + QE    PHE   92  OK   100   100 100 100  2.0-2.6   3973=95, 174/2.2=67, 3951/165=47, 2.1/3977=45...(18)
      QG2   VAL   88 - QE    PHE   92  far    0    90   0   -  7.4-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 164 from c13ar.peaks (0.77, 7.05, 131.01 ppm; 3.57 A increased from 3.36 A):
    1 out of 3 assignments used, quality = 0.55:
      QD2   LEU   93 + QE    PHE   92  OK    55    60 100  92  2.9-3.6   3318/165=36, 149/2.2=35, 3290=32, 3.9/112=29...(9)
      QD1   LEU   65 - QE    PHE   92  far    0    92   0   -  3.7-4.6
      QD1   LEU   87 - QE    PHE   92  far    0    60   0   -  9.9-11.3
    Violated in 2 structures by 0.00 A.
 
    Peak 165 from c13ar.peaks (0.54, 7.05, 131.01 ppm; 3.82 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + QE    PHE   92  OK   100   100 100 100  2.4-3.6   148/2.2=66, 3354=64, 2.1/167=63, 3951/163=59...(15)
    Violated in 0 structures by 0.00 A.
 
    Peak 166 from c13ar.peaks (0.29, 7.05, 131.01 ppm; 4.38 A increased from 3.90 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   62 + QE    PHE   92  OK   100   100 100 100  3.2-4.4   147/2.2=85, 2309=85, 1618/162=56, 1595/1666=54...(19)
    Violated in 1 structures by 0.00 A.
 
    Peak 167 from c13ar.peaks (-0.07, 7.05, 131.01 ppm; 4.10 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + QE    PHE   92  OK   100   100 100 100  2.8-4.0   3349=89, 2.1/165=78, 3949/163=65, 183/2.2=62...(14)
    Violated in 0 structures by 0.00 A.
 
    Peak 168 from c13ar.peaks (2.39, 6.89, 128.40 ppm; 3.63 A):
    1 out of 3 assignments used, quality = 1.00:
      HB2   PRO   58 + HZ    PHE   92  OK   100   100 100 100  2.2-2.7   1.8/170=73, 156/2.2=54, 2.3/116=49, ~159=39...(16)
      HG2   GLN  101 - HZ    PHE   92  far    0    92   0   -  8.2-9.1
      HG2   GLU   60 - HZ    PHE   92  far    0    89   0   -  9.3-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 169 from c13ar.peaks (2.28, 6.89, 128.40 ppm; 4.44 A increased from 3.74 A):
    2 out of 6 assignments used, quality = 1.00:
      HB    VAL  119 + HZ    PHE   92  OK    98    98 100 100  2.8-4.4   2.1/174=91, 2.1/181=87, 3966=84, 3960/3892=61...(11)
      HG2   PRO   58 + HZ    PHE   92  OK    87    87 100 100  3.9-4.4   2.3/170=87, 2.3/168=87, 3.8/116=54, ~159=51...(14)
      QG    GLU   54 - HZ    PHE   92  far    0    92   0   -  6.2-7.1
      HG2   PRO   97 - HZ    PHE   92  far    0   100   0   -  8.6-9.6
      QB    GLN  107 - HZ    PHE   92  far    0    83   0   -  9.6-11.7
      HG3   GLU  114 - HZ    PHE   92  far    0    98   0   -  9.9-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 170 from c13ar.peaks (2.09, 6.89, 128.40 ppm; 3.61 A):
    1 out of 6 assignments used, quality = 0.92:
      HB3   PRO   58 + HZ    PHE   92  OK    92    92 100 100  1.9-2.4   1.8/168=72, 159/2.2=58, 2174=51, 2.3/116=48...(18)
      QB    GLN   59 - HZ    PHE   92  far    0    83   0   -  6.7-7.2
      HB2   PRO  112 - HZ    PHE   92  far    0    99   0   -  7.0-7.7
      HG2   PRO  109 - HZ    PHE   92  far    0    90   0   -  7.6-9.0
      QB    GLU  114 - HZ    PHE   92  far    0    73   0   -  7.8-8.4
      HG3   PRO   97 - HZ    PHE   92  far    0    97   0   -  8.6-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 171 from c13ar.peaks (1.91, 6.89, 128.40 ppm; 4.94 A increased from 4.16 A):
    1 out of 8 assignments used, quality = 0.89:
      QB    ALA   61 + HZ    PHE   92  OK    89    89 100 100  4.1-4.7   158/2.2=99, 1605/116=63, 144/3.8=56, 1664/115=56...(9)
      HG    LEU  118 - HZ    PHE   92  far    0    73   0   -  5.9-6.3
      HB2   LEU   93 - HZ    PHE   92  far    0    83   0   -  7.2-8.7
      HG    LEU  122 - HZ    PHE   92  far    0    73   0   -  7.5-8.3
      HB3   PRO  112 - HZ    PHE   92  far    0   100   0   -  7.6-8.4
      HB3   GLU  113 - HZ    PHE   92  far    0    99   0   -  8.7-9.4
      HB3   PRO  109 - HZ    PHE   92  far    0    73   0   -  8.8-9.4
      HB3   ARG  103 - HZ    PHE   92  far    0    99   0   -  9.6-11.0
    Violated in 0 structures by 0.00 A.
 
    Peak 174 from c13ar.peaks (1.10, 6.89, 128.40 ppm; 3.50 A):
    1 out of 2 assignments used, quality = 1.00:
      QG1   VAL  119 + HZ    PHE   92  OK   100   100 100 100  2.4-3.4   3972=88, 163/2.2=64, 2.1/181=61, 2.1/3966=40...(16)
      QG2   VAL   88 - HZ    PHE   92  far    0    90   0   -  9.2-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 176 from c13ar.peaks (1.26, 6.89, 128.40 ppm; 3.81 A):
    1 out of 3 assignments used, quality = 0.90:
      QB    ALA  116 + HZ    PHE   92  OK    90    90 100 100  2.5-3.4   2.1/117=77, 162/2.2=67, 1620/170=48, 2132/168=41...(14)
      QG2   THR   56 - HZ    PHE   92  far    0    83   0   -  6.5-7.3
      HG3   GLN   91 - HZ    PHE   92  far    0    90   0   -  8.9-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 178 from c13ar.peaks (1.41, 6.89, 128.40 ppm; 4.48 A increased from 4.21 A):
    2 out of 2 assignments used, quality = 0.96:
      QB    ALA  115 + HZ    PHE   92  OK    95   100  95 100  4.0-4.5   1688/2.2=88, 145/3.8=70, 4.6/176=52, 5.0/117=49...(6)
      HG    LEU   62 + HZ    PHE   92  OK    24    92  28  94  4.2-6.0   ~166=50, ~2309=48, ~2302=43, 2298/3.8=32...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 180 from c13ar.peaks (1.41, 7.05, 131.01 ppm; 3.23 A):
    1 out of 3 assignments used, quality = 0.98:
      QB    ALA  115 + QE    PHE   92  OK    98   100 100  98  1.9-2.6   1688=66, 145/2.2=61, 3320/165=29, 178/2.2=28...(11)
      HG    LEU   62 - QE    PHE   92  poor  19    92  23  90  3.1-5.2   2.1/166=38, ~147=29, ~2308=28, 884/132=28...(10)
      QB    ALA   55 - QE    PHE   92  far    0    71   0   -  8.8-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 181 from c13ar.peaks (0.99, 6.89, 128.40 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 0.97:
      QG2   VAL  119 + HZ    PHE   92  OK    97    97 100 100  1.9-3.2   3976=76, 2.1/174=75, 3977/2.2=50, 2.1/3966=48...(17)
      HG    LEU   65 - HZ    PHE   92  far    0    90   0   -  8.6-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 182 from c13ar.peaks (0.54, 6.89, 128.40 ppm; 4.69 A increased from 4.41 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + HZ    PHE   92  OK   100   100 100 100  3.9-4.5   165/2.2=90, 2.1/183=85, 3951/174=82, 148/3.8=67...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 183 from c13ar.peaks (-0.06, 6.89, 128.40 ppm; 4.18 A):
    1 out of 1 assignment used, quality = 0.93:
      QD2   LEU   96 + HZ    PHE   92  OK    93    93 100 100  3.0-4.0   167/2.2=66, 3949/174=65, 2.1/182=61, 1753/181=57...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 184 from c13ar.peaks (3.20, 7.40, 125.83 ppm; 4.35 A):
    0 out of 3 assignments used, quality = 0.00:
      HD2   ARG   44 + HH2   TRP   72  far    2    81   3   -  4.4-6.5
      QD    ARG   74 + HH2   TRP   72  far    0    98   0   -  8.9-10.9
      HD3   PRO   75 + HH2   TRP   72  far    0    68   0   -  9.6-10.1
    Violated in 20 structures by 1.24 A.
 
    Peak 185 from c13ar.peaks (3.20, 7.36, 113.93 ppm; 4.17 A):
    0 out of 3 assignments used, quality = 0.00:
      HD2   ARG   44 + HZ2   TRP   72  far    6    83   8   -  3.3-5.8
      QD    ARG   74 + HZ2   TRP   72  far    0    99   0   -  7.7-10.1
      HD3   PRO   75 + HZ2   TRP   72  far    0    71   0   -  9.7-10.1
    Violated in 20 structures by 0.81 A.
 
    Peak 186 from c13ar.peaks (2.61, 7.36, 113.93 ppm; 4.54 A increased from 3.82 A):
    1 out of 3 assignments used, quality = 0.99:
      HD3   ARG   44 + HZ2   TRP   72  OK    99   100 100  99  2.5-4.4   3.0/199=68, 1833=55, 1836/2.8=50, 1.8/1838=36...(9)
      HB2   CYS   69 - HZ2   TRP   72  far    0    99   0   -  5.7-8.7
      HG2   MET   83 - HZ2   TRP   72  far    0    93   0   -  8.7-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 188 from c13ar.peaks (2.48, 7.36, 113.93 ppm; 3.90 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   CYS   69 + HZ2   TRP   72  far    0    68   0   -  6.0-8.3
      QB    GLU   90 + HZ2   TRP   72  far    0    97   0   -  8.3-9.3
    Violated in 20 structures by 3.10 A.
 
    Peak 189 from c13ar.peaks (2.29, 7.36, 113.93 ppm; 4.45 A):
    0 out of 3 assignments used, quality = 0.00:
      QG    GLU  125 + HZ2   TRP  372  far    0    95   0   -  5.7-39.6
      HG2   GLU   41 + HZ2   TRP   72  far    0    71   0   -  7.9-11.0
      HG2   PRO   40 + HZ2   TRP   72  far    0    73   0   -  8.1-8.9
    Violated in 20 structures by 3.66 A.
 
    Peak 190 from c13ar.peaks (1.78, 7.36, 113.93 ppm; 4.18 A increased from 3.93 A):
    1 out of 8 assignments used, quality = 0.63:
      HG    LEU   87 + HZ2   TRP   72  OK    63    68  93 100  4.0-4.3   2.1/192=79, 203/2.5=68, ~204=52, ~3090=51...(8)
      QE    MET   83 - HZ2   TRP   72  far    0    98   0   -  6.7-7.1
      QB    ARG   48 - HZ2   TRP   72  far    0   100   0   -  7.2-8.6
      HB2   LEU   86 - HZ2   TRP   72  far    0    87   0   -  7.2-8.5
      HB3   GLU   41 - HZ2   TRP   72  far    0    95   0   -  7.8-9.5
      HB2   LEU   45 - HZ2   TRP   72  far    0    65   0   -  8.3-10.3
      HG    LEU   86 - HZ2   TRP   72  far    0    76   0   -  8.5-9.6
      QB    LEU   84 - HZ2   TRP   72  far    0    65   0   -  9.1-9.8
    Violated in 3 structures by 0.03 A.
 
    Peak 191 from c13ar.peaks (1.34, 7.36, 113.93 ppm; 3.91 A):
    0 out of 2 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HZ2   TRP   72  far    6    84   8   -  3.8-6.5
      HB3   LEU   86 + HZ2   TRP   72  far    0   100   0   -  6.9-7.5
    Violated in 20 structures by 1.87 A.
 
    Peak 192 from c13ar.peaks (1.00, 7.36, 113.93 ppm; 3.85 A):
    1 out of 2 assignments used, quality = 0.99:
      QD2   LEU   87 + HZ2   TRP   72  OK    99   100 100  99  3.4-3.9   204/2.5=78, 2.1/190=62, 3134/198=50, 3089/4.3=43...(8)
     ?HB3   LEU   73 - HZ2   TRP   72  far    5   100   5   -  3.8-6.5
    Violated in 1 structures by 0.00 A.
 
    Peak 193 from c13ar.peaks (0.89, 7.36, 113.93 ppm; 4.18 A):
    0 out of 4 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HZ2   TRP   72  far   10   100  10   -  3.8-6.5
      QD2   LEU   86 + HZ2   TRP   72  far    0    99   0   -  8.2-9.2
      QG2   VAL   77 + HZ2   TRP   72  far    0    97   0   -  9.2-10.3
      QG1   VAL   88 + HZ2   TRP   72  far    0    97   0   -  9.9-10.8
    Violated in 18 structures by 1.76 A.
 
    Peak 194 from c13ar.peaks (0.69, 7.36, 113.93 ppm; 4.09 A):
    0 out of 2 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HZ2   TRP   72  far    9    92  10   -  3.8-6.5
      QD1   LEU   86 + HZ2   TRP   72  far    0    71   0   -  6.3-7.2
    Violated in 18 structures by 1.61 A.
 
    Peak 195 from c13ar.peaks (0.29, 7.36, 113.93 ppm; 4.73 A):
    2 out of 3 assignments used, quality = 0.95:
      QD1   LEU   73 + HZ2   TRP   72  OK    88    96  93 100  4.1-4.9   2.1/198=90, 206/2.5=76, 3110/192=59, ~207=56...(16)
      HB3   ARG   44 + HZ2   TRP   72  OK    55   100  55 100  3.7-6.1   2.9/199=74, 261/2.8=66, 3.9/186=58, 226/5.0=44...(9)
     ?HB3   LEU   73 - HZ2   TRP   72  far    4    41  10   -  3.8-6.5
    Violated in 1 structures by 0.00 A.
 
    Peak 198 from c13ar.peaks (-0.65, 7.36, 113.93 ppm; 3.99 A):
    1 out of 1 assignment used, quality = 0.93:
      QD2   LEU   73 + HZ2   TRP   72  OK    93    99  95 100  3.1-3.7   207/2.5=64, 3134/192=56, 1787=46, 262/2.8=43...(13)
    Violated in 0 structures by 0.00 A.
 
    Peak 199 from c13ar.peaks (-0.74, 7.36, 113.93 ppm; 4.31 A):
    1 out of 1 assignment used, quality = 0.81:
      HG3   ARG   44 + HZ2   TRP   72  OK    81    97  85  97  3.1-4.5   3.0/186=58, 263/2.8=45, ~261=30, ~253=30...(12)
    Violated in 2 structures by 0.01 A.
 
    Peak 200 from c13ar.peaks (2.61, 7.40, 125.83 ppm; 4.23 A):
    0 out of 3 assignments used, quality = 0.00:
      HD3   ARG   44 + HH2   TRP   72  far    7   100   8   -  4.1-5.6
      HB2   CYS   69 + HH2   TRP   72  far    0    99   0   -  4.3-7.2
      HG2   MET   83 + HH2   TRP   72  far    0    93   0   -  8.7-9.7
    Violated in 17 structures by 0.26 A.
 
    Peak 201 from c13ar.peaks (2.48, 7.40, 125.83 ppm; 4.04 A):
    0 out of 2 assignments used, quality = 0.00:
      QB    GLU   90 + HH2   TRP   72  far    0   100   0   -  6.2-7.3
      HG3   GLN   71 + HH2   TRP   72  far    0    65   0   -  9.4-13.1
    Violated in 20 structures by 2.75 A.
 
    Peak 202 from c13ar.peaks (2.27, 7.40, 125.83 ppm; 4.55 A):
    0 out of 2 assignments used, quality = 0.00:
      HB2   LEU   89 + HH2   TRP   72  far    0   100   0   -  9.1-9.9
      HG3   GLU   85 + HH2   TRP   72  far    0    98   0   -  9.9-10.3
    Violated in 20 structures by 4.18 A.
 
    Peak 203 from c13ar.peaks (1.78, 7.40, 125.83 ppm; 4.15 A):
    1 out of 8 assignments used, quality = 0.68:
      HG    LEU   87 + HH2   TRP   72  OK    68    68 100 100  1.8-2.7   2.1/204=91, 2.1/205=77, 190/2.5=67, ~3089=46...(9)
      HB2   LEU   86 - HH2   TRP   72  far    0    87   0   -  5.9-7.2
      QB    ARG   48 - HH2   TRP   72  far    0   100   0   -  6.1-7.4
      QE    MET   83 - HH2   TRP   72  far    0    98   0   -  6.7-7.5
      HG    LEU   86 - HH2   TRP   72  far    0    76   0   -  7.4-8.3
      QB    LEU   84 - HH2   TRP   72  far    0    65   0   -  7.6-8.6
      HB2   LEU   45 - HH2   TRP   72  far    0    65   0   -  8.9-10.7
      HB3   GLU   41 - HH2   TRP   72  far    0    95   0   -  9.5-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 204 from c13ar.peaks (1.00, 7.40, 125.83 ppm; 3.22 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   87 + HH2   TRP   72  OK   100   100 100 100  2.0-2.6   3090=92, 2.1/205=48, 3089/2.4=48, 192/2.5=45...(9)
      HG    LEU   65 - HH2   TRP   72  far    0    65   0   -  9.6-12.1
    Violated in 0 structures by 0.00 A.
 
    Peak 205 from c13ar.peaks (0.74, 7.40, 125.83 ppm; 3.91 A):
    1 out of 5 assignments used, quality = 0.90:
      QD1   LEU   87 + HH2   TRP   72  OK    90   100  90 100  3.1-4.3   2.1/204=86, 2.1/203=64, 3133/207=46, 3095=42...(12)
      QD1   LEU   84 - HH2   TRP   72  far    0   100   0   -  6.1-7.0
      QD2   LEU   45 - HH2   TRP   72  far    0    97   0   -  7.3-10.4
      QD1   LEU   65 - HH2   TRP   72  far    0    93   0   -  9.5-10.3
    Violated in 2 structures by 0.04 A.
 
    Peak 206 from c13ar.peaks (0.29, 7.40, 125.83 ppm; 4.47 A):
    1 out of 3 assignments used, quality = 0.88:
      QD1   LEU   73 + HH2   TRP   72  OK    88    96  93 100  3.2-4.7   2.1/207=82, 217/2.4=69, 3115/205=63, 3110/204=62...(14)
      HB3   ARG   44 - HH2   TRP   72  far   12   100  13   -  4.2-7.1
    Violated in 2 structures by 0.16 A.
 
    Peak 207 from c13ar.peaks (-0.65, 7.40, 125.83 ppm; 4.08 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   73 + HH2   TRP   72  OK    99    99 100 100  2.8-3.4   198/2.5=69, 3134/204=68, 2.1/206=62, 218/2.4=61...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 208 from c13ar.peaks (0.95, 7.11, 120.14 ppm; 4.88 A increased from 4.11 A):
    1 out of 3 assignments used, quality = 0.97:
     ?HB3   LEU   73 + HE3   TRP   72  OK    97   100  98 100  4.3-5.0   1894/211=69, 991/136=63, 753/6.2=60, 1896/209=53...(9)
      QD2   LEU   68 - HE3   TRP   72  far    0    90   0   -  5.3-6.6
      HG    LEU   65 - HE3   TRP   72  far    0    71   0   -  8.6-10.0
    Violated in 3 structures by 0.01 A.
 
    Peak 209 from c13ar.peaks (0.76, 7.11, 120.14 ppm; 4.12 A):
    1 out of 5 assignments used, quality = 0.56:
      HG    LEU   73 + HE3   TRP   72  OK    56    60  95  99  3.1-4.1   2.1/211=56, 3.0/208=48, 2.1/210=41, ~218=40...(14)
      QD1   LEU   87 - HE3   TRP   72  far    8    76  10   -  3.9-4.8
      QD1   LEU   84 - HE3   TRP   72  far    0    76   0   -  4.9-5.6
      QD1   LEU   65 - HE3   TRP   72  far    0    98   0   -  8.6-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 210 from c13ar.peaks (0.29, 7.11, 120.14 ppm; 4.21 A):
    2 out of 4 assignments used, quality = 0.98:
      QD1   LEU   73 + HE3   TRP   72  OK    94    99  95 100  2.4-3.0   2.1/209=74, 217/2.5=64, 2.1/211=59, 1925=53...(16)
      HB3   ARG   44 + HE3   TRP   72  OK    65    99  90  73  3.1-5.3   261/5.3=31, 1825/125=30, 226/5.1=28, 195/5.0=13
      QD2   LEU   62 - HE3   TRP   72  far    0   100   0   -  9.9-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 211 from c13ar.peaks (-0.65, 7.11, 120.14 ppm; 4.80 A increased from 4.26 A):
    1 out of 1 assignment used, quality = 0.99:
      QD2   LEU   73 + HE3   TRP   72  OK    99    99 100 100  3.0-4.7   2.1/209=88, 218/2.5=79, 3.1/208=63, 207/4.3=61...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 212 from c13ar.peaks (3.32, 7.10, 120.66 ppm; 5.00 A increased from 4.00 A):
    1 out of 1 assignment used, quality = 0.94:
      HB2   TRP   72 + HZ3   TRP   72  OK    94   100  95 100  4.8-4.9   122/2.5=80, ~124=69, 2638/213=54, 6.4=47...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 213 from c13ar.peaks (3.13, 7.10, 120.66 ppm; 4.26 A):
    1 out of 1 assignment used, quality = 0.82:
      HA    CYS   69 + HZ3   TRP   72  OK    82    90 100  90  3.4-4.2   123/2.5=73, 2638/212=34, 2637/6.4=24, 2538/8.1=13...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 214 from c13ar.peaks (2.77, 7.10, 120.66 ppm; 4.11 A):
    0 out of 2 assignments used, quality = 0.00:
      HB3   TRP   72 + HZ3   TRP   72  far    0   100   0   -  4.9-6.1
      QB    PRO   40 + HZ3   TRP   72  far    0    57   0   -  7.7-8.1
    Violated in 20 structures by 1.71 A.
 
    Peak 215 from c13ar.peaks (1.00, 7.10, 120.66 ppm; 3.92 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   87 + HZ3   TRP   72  OK   100   100 100 100  2.9-3.7   204/2.4=80, 3089=78, 3134/218=48, 192/4.3=43...(10)
      HG    LEU   65 - HZ3   TRP   72  far    0    76   0   -  7.7-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 216 from c13ar.peaks (0.76, 7.10, 120.66 ppm; 4.04 A):
    2 out of 6 assignments used, quality = 0.89:
      QD1   LEU   87 + HZ3   TRP   72  OK    75    76 100  99  3.0-3.6   2.1/215=74, ~204=49, ~3090=48, ~203=40...(9)
      HG    LEU   73 + HZ3   TRP   72  OK    54    60  90 100  3.4-5.2   2.1/218=66, 209/2.5=65, 2.1/217=63, ~207=41...(16)
      QD1   LEU   84 - HZ3   TRP   72  far    0    76   0   -  5.0-6.1
      QD1   LEU   65 - HZ3   TRP   72  far    0    98   0   -  7.9-8.7
      QD2   LEU   89 - HZ3   TRP   72  far    0    71   0   -  9.8-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 217 from c13ar.peaks (0.28, 7.10, 120.66 ppm; 4.40 A):
    1 out of 4 assignments used, quality = 0.95:
      QD1   LEU   73 + HZ3   TRP   72  OK    95   100  95 100  2.3-3.8   2.1/218=76, 206/2.4=66, 3110/215=59, ~207=49...(17)
      HB3   ARG   44 - HZ3   TRP   72  far   15    97  15   -  4.0-6.8
      QD2   LEU   62 - HZ3   TRP   72  far    0   100   0   -  9.1-9.7
    Violated in 2 structures by 0.11 A.
 
    Peak 218 from c13ar.peaks (-0.64, 7.10, 120.66 ppm; 4.27 A):
    1 out of 1 assignment used, quality = 0.97:
      QD2   LEU   73 + HZ3   TRP   72  OK    97   100  98 100  3.0-4.0   207/2.4=70, 2.1/217=70, 3134/215=62, 211/2.5=56...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 219 from c13ar.peaks (3.31, 7.18, 126.87 ppm; 4.03 A):
    1 out of 1 assignment used, quality = 0.92:
      HB2   TRP   72 + HD1   TRP   72  OK    92    92 100 100  3.2-3.9   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 220 from c13ar.peaks (2.75, 7.18, 126.87 ppm; 3.26 A):
    2 out of 3 assignments used, quality = 0.97:
      HB3   TRP   72 + HD1   TRP   72  OK    85    97  95  92  2.9-3.2   3.8=61, 3.0/50=53, 124/5.1=16, 750/316=16...(8)
      QB    PRO   40 + HD1   TRP   72  OK    81    89 100  92  2.0-2.1   2.2/51=40, 2.2/221=40, 251/2.6=31, 1567=31...(8)
      HA    ARG   44 - HD1   TRP   72  far    0    83   0   -  4.6-5.8
    Violated in 0 structures by 0.00 A.
 
    Peak 221 from c13ar.peaks (2.29, 7.18, 126.87 ppm; 4.30 A increased from 3.44 A):
    1 out of 6 assignments used, quality = 0.74:
      HG2   PRO   40 + HD1   TRP   72  OK    74    76 100  97  3.8-4.2   2.2/1567=64, 1.8/222=63, 3.8/51=52, ~251=38
      QG    GLU  125 - HD1   TRP  372  far    2    93   3   -  2.6-35.3
      HG2   GLU   41 - HD1   TRP   72  far    0    68   0   -  6.3-8.0
      HB2   PRO  126 - HD1   TRP  372  far    0    78   0   -  9.0-54.0
      HG3   GLU   76 - HD1   TRP   72  far    0    99   0   -  9.1-13.3
      HB2   PRO   38 - HD1   TRP   72  far    0    76   0   -  9.6-12.1
    Violated in 2 structures by 0.00 A.
 
    Peak 222 from c13ar.peaks (2.10, 7.18, 126.87 ppm; 4.87 A increased from 4.10 A):
    1 out of 3 assignments used, quality = 0.99:
      HG3   PRO   40 + HD1   TRP   72  OK    99    99 100 100  4.2-4.7   1.8/221=91, 2.2/1567=79, 3.8/51=65, ~251=49
      HB3   PRO   38 - HD1   TRP   72  far    0    71   0   -  8.5-11.1
      QB    PRO   75 - HD1   TRP   72  far    0    90   0   -  9.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 223 from c13ar.peaks (1.62, 7.18, 126.87 ppm; 3.17 A):
    0 out of 5 assignments used, quality = 0.00:
      QB    ALA   43 + HD1   TRP   72  far    0    95   0   -  4.1-5.2
      QG    ARG   48 + HD1   TRP   72  far    0   100   0   -  7.7-11.1
      HG    LEU   45 + HD1   TRP   72  far    0    99   0   -  8.3-10.5
      QG    ARG   46 + HD1   TRP   72  far    0    71   0   -  8.6-11.2
    Violated in 20 structures by 1.46 A.
 
    Peak 224 from c13ar.peaks (0.90, 7.18, 126.87 ppm; 4.09 A):
    0 out of 2 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HD1   TRP   72  far    5   100   5   -  3.9-6.2
      QG2   VAL   77 + HD1   TRP   72  far    0    87   0   -  8.9-10.4
    Violated in 20 structures by 1.81 A.
 
    Peak 225 from c13ar.peaks (0.68, 7.18, 126.87 ppm; 3.94 A):
    0 out of 2 assignments used, quality = 0.00:
     ?HB3   LEU   73 + HD1   TRP   72  far    5    91   5   -  3.9-6.2
      QD1   LEU   86 + HD1   TRP   72  far    0    97   0   -  9.2-10.2
    Violated in 20 structures by 1.97 A.
 
    Peak 226 from c13ar.peaks (0.30, 7.18, 126.87 ppm; 4.14 A):
    1 out of 3 assignments used, quality = 0.94:
      HB3   ARG   44 + HD1   TRP   72  OK    94    97 100  96  3.2-4.0   261/2.6=49, 4.0/647=38, 3.0/1842=33, ~256=32...(11)
     ?HB3   LEU   73 - HD1   TRP   72  far    2    43   5   -  3.9-6.2
      QD1   LEU   73 - HD1   TRP   72  far    0    73   0   -  4.5-5.8
    Violated in 1 structures by 0.00 A.
 
    Peak 227 from c13ar.peaks (-0.65, 7.18, 126.87 ppm; 4.25 A):
    0 out of 1 assignment used, quality = 0.00:
      QD2   LEU   73 + HD1   TRP   72  far    0    99   0   -  5.0-5.6
    Violated in 20 structures by 1.20 A.
 
    Peak 228 from c13ar.peaks (3.25, 6.54, 118.07 ppm; 4.22 A):
    1 out of 3 assignments used, quality = 0.96:
      HD3   PRO   97 + QE    TYR   52  OK    96    96 100 100  3.4-4.3   241/2.2=81, ~40=63, 1.8/3423=54, 2.3/3429=53...(13)
      QD    ARG  124 - QE    TYR   52  far    0    65   0   -  8.1-11.6
      QD    ARG  103 - QE    TYR   52  far    0   100   0   -  9.1-10.5
    Violated in 3 structures by 0.00 A.
 
    Peak 229 from c13ar.peaks (2.78, 6.54, 118.07 ppm; 3.99 A increased from 3.55 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    TYR   52 + QE    TYR   52  OK   100   100 100 100  3.9-4.0   3.9=100
      HB2   ASP  120 - QE    TYR   52  far    0    71   0   -  5.5-6.2
    Violated in 0 structures by 0.00 A.
 
    Peak 230 from c13ar.peaks (2.41, 6.54, 118.07 ppm; 4.29 A increased from 3.81 A):
    1 out of 2 assignments used, quality = 0.95:
      HB2   PRO   58 + QE    TYR   52  OK    95    95 100 100  3.5-4.2   1.8/232=95, 2.3/46=89, 3.0/48=76, 2131/238=55...(14)
      HG2   GLU   60 - QE    TYR   52  far    0   100   0   -  7.4-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 231 from c13ar.peaks (2.28, 6.54, 118.07 ppm; 3.21 A):
    1 out of 6 assignments used, quality = 0.90:
      QG    GLU   54 + QE    TYR   52  OK    90    93 100  97  1.9-3.0   2190=51, 243/2.2=50, 3.3/2183=38, 3876/237=29...(13)
      HB    VAL  119 - QE    TYR   52  far    5    99   5   -  2.2-5.0
      HG2   PRO   58 - QE    TYR   52  far    0    89   0   -  3.6-4.5
      HG2   PRO   97 - QE    TYR   52  far    0    99   0   -  4.0-5.1
      QG    GLU  125 - QE    TYR   52  far    0    68   0   -  7.2-13.2
      HB2   GLN   64 - QE    TYR   52  far    0   100   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 232 from c13ar.peaks (2.05, 6.54, 118.07 ppm; 3.38 A):
    1 out of 8 assignments used, quality = 0.62:
      HB3   PRO   58 + QE    TYR   52  OK    62    63 100  99  2.0-3.0   2.3/46=64, 3.0/48=51, 1.8/230=47, ~42=29...(14)
      QB    GLU   54 - QE    TYR   52  far    2    60   3   -  2.8-4.4
      HB3   PRO   97 - QE    TYR   52  far    0    96   0   -  5.3-7.0
      QB    GLU   99 - QE    TYR   52  far    0   100   0   -  7.0-8.1
      HG3   GLN  101 - QE    TYR   52  far    0    99   0   -  7.5-8.4
      HB2   GLU  125 - QE    TYR   52  far    0    96   0   -  7.8-14.0
      HB2   GLN  101 - QE    TYR   52  far    0    97   0   -  7.9-9.1
      QG    PRO  126 - QE    TYR   52  far    0    81   0   -  9.9-14.6
    Violated in 0 structures by 0.00 A.
 
    Peak 233 from c13ar.peaks (1.91, 6.54, 118.07 ppm; 2.93 A):
    0 out of 7 assignments used, quality = 0.00:
      QB    ALA   61 + QE    TYR   52  far    0    96   0   -  3.6-3.9
      HG    LEU  122 + QE    TYR   52  far    0    60   0   -  5.7-6.8
      HG    LEU  118 + QE    TYR   52  far    0    60   0   -  7.3-8.5
      HB3   ARG  103 + QE    TYR   52  far    0    97   0   -  7.9-9.7
      HB2   ARG  124 + QE    TYR   52  far    0    99   0   -  8.2-11.6
      HB2   LEU   93 + QE    TYR   52  far    0    71   0   -  9.0-10.1
      HB3   PRO  112 + QE    TYR   52  far    0   100   0   -  9.8-10.8
    Violated in 20 structures by 0.80 A.
 
    Peak 234 from c13ar.peaks (1.60, 6.54, 118.07 ppm; 4.23 A):
    1 out of 2 assignments used, quality = 0.67:
      HG12  ILE  100 + QE    TYR   52  OK    67    68 100  98  2.4-3.7   2.1/237=85, ~3486=37, 3469/240=29, 3375/3423=25...(8)
      QB    ALA   95 - QE    TYR   52  far    0    98   0   -  6.2-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 235 from c13ar.peaks (1.43, 6.54, 118.07 ppm; 4.28 A):
    0 out of 3 assignments used, quality = 0.00:
      QB    ALA  115 + QE    TYR   52  far    0    73   0   -  6.3-7.0
      QB    ALA   55 + QE    TYR   52  far    0   100   0   -  6.4-6.8
      QB    ALA  102 + QE    TYR   52  far    0    89   0   -  8.8-9.9
    Violated in 20 structures by 1.63 A.
 
    Peak 236 from c13ar.peaks (1.28, 6.54, 118.07 ppm; 4.90 A increased from 4.13 A):
    1 out of 2 assignments used, quality = 1.00:
      QG2   THR   56 + QE    TYR   52  OK   100   100 100 100  3.9-4.8   1769=91, 248/2.2=72, 1764/2183=56, 827/400=52...(17)
      HG3   GLN   91 - QE    TYR   52  far    0   100   0   -  9.6-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 237 from c13ar.peaks (0.89, 6.54, 118.07 ppm; 3.63 A increased from 3.42 A):
    1 out of 8 assignments used, quality = 0.96:
      QD1   ILE  100 + QE    TYR   52  OK    96    97 100  99  2.3-3.6   3485=73, 2.1/234=54, 3472/240=47, 3876/231=42...(8)
      QG2   ILE  100 - QE    TYR   52  far   15    98  15   -  2.7-4.2
      QD2   LEU  122 - QE    TYR   52  far    0    76   0   -  4.8-6.0
      QD1   LEU  122 - QE    TYR   52  far    0    78   0   -  5.3-6.4
      HB3   LEU   96 - QE    TYR   52  far    0    60   0   -  5.4-6.0
      QQG   VAL  104 - QE    TYR   52  far    0    85   0   -  6.1-6.9
      QD2   LEU  118 - QE    TYR   52  far    0    73   0   -  7.9-8.9
      QG1   VAL   88 - QE    TYR   52  far    0    90   0   -  8.2-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 238 from c13ar.peaks (0.97, 6.54, 118.07 ppm; 3.49 A):
    1 out of 2 assignments used, quality = 0.97:
      QG2   VAL  119 + QE    TYR   52  OK    97    98 100  99  2.3-3.2   3974=58, 1753/240=44, 250/2.2=44, 1760/48=31...(14)
      HG    LEU   65 - QE    TYR   52  far    0   100   0   -  8.9-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 239 from c13ar.peaks (0.54, 6.54, 118.07 ppm; 5.14 A increased from 4.57 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + QE    TYR   52  OK   100   100 100 100  4.0-5.0   2.1/240=99, 251/2.2=82, ~252=77, 1754/238=73...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 240 from c13ar.peaks (-0.07, 6.54, 118.07 ppm; 3.63 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   96 + QE    TYR   52  OK   100   100 100 100  2.6-3.6   252/2.2=73, 3346=62, 1753/238=50, 3472/237=47...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 241 from c13ar.peaks (3.24, 6.82, 132.56 ppm; 3.70 A):
    1 out of 3 assignments used, quality = 0.99:
      HD3   PRO   97 + QD    TYR   52  OK    99    99 100 100  2.4-3.5   1.8/40=86, 228/2.2=55, 3327/252=46, 3421=43...(12)
      HB2   PHE   50 - QD    TYR   52  far    0    89   0   -  8.8-9.1
      QD    ARG  124 - QD    TYR   52  far    0    81   0   -  9.9-13.5
    Violated in 0 structures by 0.00 A.
 
    Peak 242 from c13ar.peaks (2.78, 6.82, 132.56 ppm; 2.80 A):
    1 out of 2 assignments used, quality = 1.00:
      QB    TYR   52 + QD    TYR   52  OK   100   100 100 100  2.1-2.2   2.1=100
      HB2   ASP  120 - QD    TYR   52  far    0    71   0   -  7.5-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 243 from c13ar.peaks (2.28, 6.82, 132.56 ppm; 3.73 A increased from 3.32 A):
    1 out of 6 assignments used, quality = 0.72:
      QG    GLU   54 + QD    TYR   52  OK    72    83  88  99  3.4-3.9   231/2.2=78, 2191=46, 3.3/2184=36, ~2193=29...(12)
      HG2   PRO   97 - QD    TYR   52  far    0   100   0   -  3.9-5.0
      HB    VAL  119 - QD    TYR   52  far    0    93   0   -  4.2-6.2
      HG2   PRO   58 - QD    TYR   52  far    0    76   0   -  5.7-6.3
      HB2   GLN   64 - QD    TYR   52  far    0   100   0   -  7.6-8.3
      QG    GLU  125 - QD    TYR   52  far    0    83   0   -  8.7-15.0
    Violated in 2 structures by 0.01 A.
 
    Peak 244 from c13ar.peaks (1.91, 6.82, 132.56 ppm; 2.84 A):
    1 out of 6 assignments used, quality = 0.88:
      QB    ALA   61 + QD    TYR   52  OK    88    96 100  92  2.2-2.8   1665=48, 1664/2.2=32, 1605/42=25, 266/60=22...(10)
      HG    LEU  122 - QD    TYR   52  far    0    60   0   -  7.6-8.6
      HB2   LEU   93 - QD    TYR   52  far    0    71   0   -  8.0-9.0
      HG    LEU  118 - QD    TYR   52  far    0    60   0   -  8.4-9.4
      HB3   ARG  103 - QD    TYR   52  far    0    97   0   -  8.6-10.6
      HB3   PRO  112 - QD    TYR   52  far    0   100   0   -  9.0-10.0
    Violated in 1 structures by 0.00 A.
 
    Peak 245 from c13ar.peaks (2.09, 6.82, 132.56 ppm; 4.01 A increased from 3.56 A):
    2 out of 6 assignments used, quality = 0.93:
      HG3   PRO   97 + QD    TYR   52  OK    89    99  90 100  3.4-4.6   2.3/40=85, 2.3/241=75, 3432=42, ~228=39...(13)
      HB3   PRO   58 + QD    TYR   52  OK    42    89  48 100  3.7-4.4   2.3/42=71, ~46=48, ~230=44, ~48=37...(12)
      QB    GLN   59 - QD    TYR   52  far    0    87   0   -  7.4-7.8
      HB2   PRO  112 - QD    TYR   52  far    0    99   0   -  8.6-9.6
      HG2   PRO  109 - QD    TYR   52  far    0    93   0   -  9.6-11.5
      HG3   PRO   98 - QD    TYR   52  far    0    97   0   -  9.7-10.3
    Violated in 1 structures by 0.00 A.
 
    Peak 246 from c13ar.peaks (1.61, 6.82, 132.56 ppm; 3.77 A):
    0 out of 2 assignments used, quality = 0.00:
      QB    ALA   95 + QD    TYR   52  far    0   100   0   -  4.5-4.8
      QG    ARG   66 + QD    TYR   52  far    0    87   0   -  9.8-10.8
    Violated in 20 structures by 0.95 A.
 
    Peak 247 from c13ar.peaks (1.45, 6.82, 132.56 ppm; 4.39 A):
    0 out of 3 assignments used, quality = 0.00:
      QB    ALA   55 + QD    TYR   52  far    0    90   0   -  6.8-7.1
      QB    ALA  102 + QD    TYR   52  far    0   100   0   -  9.0-10.0
      HB3   LEU  118 + QD    TYR   52  far    0    89   0   -  9.2-10.4
    Violated in 20 structures by 2.28 A.
 
    Peak 248 from c13ar.peaks (1.29, 6.82, 132.56 ppm; 4.99 A increased from 4.43 A):
    1 out of 3 assignments used, quality = 1.00:
      QG2   THR   56 + QD    TYR   52  OK   100   100 100 100  4.0-4.7   1768/244=87, 236/2.2=76, 2078/2088=58, 1775/61=53...(11)
      HB3   LEU   62 - QD    TYR   52  far    0    68   0   -  5.7-8.9
      HG3   GLN   91 - QD    TYR   52  far    0    98   0   -  7.6-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 249 from c13ar.peaks (0.90, 6.82, 132.56 ppm; 3.49 A):
    0 out of 7 assignments used, quality = 0.00:
      QG2   ILE  100 + QD    TYR   52  far    5   100   5   -  3.2-4.8
      QD1   ILE  100 + QD    TYR   52  far    0    87   0   -  4.0-4.9
      HB3   LEU   96 + QD    TYR   52  far    0    78   0   -  4.4-5.0
      QQG   VAL  104 + QD    TYR   52  far    0    68   0   -  6.0-6.9
      QD1   LEU  122 + QD    TYR   52  far    0    60   0   -  6.5-7.5
      QG1   VAL   88 + QD    TYR   52  far    0    98   0   -  7.1-8.6
      QD2   LEU  118 + QD    TYR   52  far    0    89   0   -  8.7-9.5
    Violated in 17 structures by 0.32 A.
 
    Peak 250 from c13ar.peaks (0.97, 6.82, 132.56 ppm; 4.48 A increased from 3.77 A):
    1 out of 2 assignments used, quality = 0.98:
      QG2   VAL  119 + QD    TYR   52  OK    98    98 100 100  3.7-4.3   238/2.2=91, 1753/252=74, 1754/251=43, ~3975=42...(6)
      HG    LEU   65 - QD    TYR   52  far    0   100   0   -  7.0-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 251 from c13ar.peaks (0.54, 6.82, 132.56 ppm; 4.86 A increased from 4.32 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   96 + QD    TYR   52  OK   100   100 100 100  3.7-4.7   2.1/252=99, 239/2.2=69, ~240=68, ~1749=60...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 252 from c13ar.peaks (-0.07, 6.82, 132.56 ppm; 3.35 A):
    1 out of 1 assignment used, quality = 0.97:
      QD2   LEU   96 + QD    TYR   52  OK    97   100 100  98  1.9-2.5   240/2.2=57, 1749/2.1=43, 1751/40=39, 3327/241=34...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 254 from c13ar.peaks (4.53, 8.16, 137.22 ppm; 4.67 A):
    0 out of 1 assignment used, quality = 0.00:
      HA    CYS   49 + HE1   HIS   51  far    0   100   0   - 10.0-10.6
    Violated in 20 structures by 5.66 A.
 
    Peak 255 from c13ar.peaks (3.81, 8.16, 137.22 ppm; 5.27 A):
    0 out of 2 assignments used, quality = 0.00:
      HD2   PRO   97 + HE1   HIS   51  far    0    97   0   -  8.2-10.0
      HA    GLU   54 + HE1   HIS   51  far    0    73   0   -  8.7-9.0
    Violated in 20 structures by 2.89 A.
 
    Peak 256 from c13ar.peaks (3.09, 8.16, 137.22 ppm; 4.92 A):
    0 out of 1 assignment used, quality = 0.00:
      HB2   CYS   49 + HE1   HIS   51  far    0    95   0   -  9.3-11.6
    Violated in 20 structures by 6.13 A.
 
    Peak 257 from c13ar.peaks (2.90, 8.16, 137.22 ppm; 4.84 A increased from 4.56 A):
    1 out of 2 assignments used, quality = 0.73:
      HB3   HIS   51 + HE1   HIS   51  OK    73    81 100  90  4.8-4.8   5.3=75, 2043/258=34, 784/7.6=25, 2054/7.5=21
      HB3   CYS   49 - HE1   HIS   51  far    0    96   0   -  9.6-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 258 from c13ar.peaks (2.17, 8.16, 137.22 ppm; 3.86 A):
    1 out of 2 assignments used, quality = 0.87:
      QG    GLU   53 + HE1   HIS   51  OK    87    90 100  97  2.7-3.1   2.5/259=57, 2.5/260=47, 2092=45, 2089/4.2=35...(7)
      HB3   GLN   64 - HE1   HIS   51  far    0    63   0   -  9.8-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 259 from c13ar.peaks (2.00, 8.16, 137.22 ppm; 4.21 A):
    1 out of 3 assignments used, quality = 0.74:
      HB2   GLU   53 + HE1   HIS   51  OK    74    78 100  95  3.0-3.1   2.5/258=74, 1.8/260=63, 3.0/64=45
      QB    GLU   54 - HE1   HIS   51  far    0    78   0   -  8.3-8.6
      HB3   GLU   60 - HE1   HIS   51  far    0    98   0   -  9.8-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 260 from c13ar.peaks (1.78, 8.16, 137.22 ppm; 4.74 A increased from 4.46 A):
    1 out of 1 assignment used, quality = 0.98:
      HB3   GLU   53 + HE1   HIS   51  OK    98    99 100  99  4.3-4.5   1.8/259=90, 2.5/258=87, 3.0/64=58
    Violated in 0 structures by 0.00 A.
 
    Peak 261 from c13ar.peaks (3.29, 7.29, 130.75 ppm; 4.69 A increased from 4.41 A):
    1 out of 2 assignments used, quality = 0.63:
      HB2   PHE   50 + QE    PHE   50  OK    63    63 100 100  4.4-4.4   4.4=100
      HB2   PHE   47 - QE    PHE   50  far    0    93   0   -  6.4-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 262 from c13ar.peaks (2.77, 7.29, 130.75 ppm; 4.05 A):
    1 out of 1 assignment used, quality = 0.86:
      QB    TYR   52 + QE    PHE   50  OK    86    87 100  99  3.5-4.1   2.5/72=73, 2.1/60=60, 2065=42, 1602/266=42...(11)
    Violated in 1 structures by 0.00 A.
 
    Peak 263 from c13ar.peaks (2.62, 7.29, 130.75 ppm; 4.48 A increased from 4.22 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   PHE   50 + QE    PHE   50  OK   100   100 100 100  4.4-4.4   4.4=100
      HB2   CYS   69 - QE    PHE   50  far    0    89   0   -  9.2-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 264 from c13ar.peaks (2.29, 7.29, 130.75 ppm; 3.86 A):
    1 out of 5 assignments used, quality = 0.93:
      HB2   GLN   64 + QE    PHE   50  OK    93    99 100  94  2.2-3.4   275/2.2=57, 2330/71=42, 1.8/265=40, ~276=37...(7)
      QG    GLU   54 - QE    PHE   50  far    0    68   0   -  7.8-8.5
      HG2   PRO   58 - QE    PHE   50  far    0    60   0   -  9.0-9.8
      HB    VAL  119 - QE    PHE   50  far    0    83   0   -  9.3-10.0
      HG2   PRO   97 - QE    PHE   50  far    0    99   0   - 10.0-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 265 from c13ar.peaks (2.15, 7.29, 130.75 ppm; 4.03 A increased from 3.80 A):
    2 out of 5 assignments used, quality = 0.99:
      HB3   GLN   64 + QE    PHE   50  OK    96    98 100  98  2.6-3.9   1.8/264=80, 276/2.2=50, ~275=44, 2464/269=23...(8)
      QG    GLU   53 + QE    PHE   50  OK    73   100  78  94  3.7-4.2   2084/2071=44, 2093/797=39, 2090=34, 2088/60=33...(8)
      HB2   LEU   68 - QE    PHE   50  far    0    95   0   -  5.4-8.3
      HB2   GLU   60 - QE    PHE   50  far    0    73   0   -  6.0-7.7
      QB    GLU   67 - QE    PHE   50  far    0    63   0   -  7.0-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 266 from c13ar.peaks (1.91, 7.29, 130.75 ppm; 3.28 A):
    1 out of 4 assignments used, quality = 0.94:
      QB    ALA   61 + QE    PHE   50  OK    94    96 100  99  1.9-2.0   2.1/71=57, 1667=56, 277/2.2=45, 244/60=34...(12)
      QB    ARG   46 - QE    PHE   50  far    0    85   0   -  7.5-8.4
      HB3   PRO  112 - QE    PHE   50  far    0   100   0   -  8.3-9.4
      HB2   LEU   93 - QE    PHE   50  far    0    71   0   -  8.8-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 267 from c13ar.peaks (1.62, 7.29, 130.75 ppm; 4.35 A increased from 3.87 A):
    1 out of 4 assignments used, quality = 1.00:
      QB    ALA   95 + QE    PHE   50  OK   100   100 100 100  3.6-4.4   278/2.2=90, 1723=76, 1717/72=56, 1712/271=48...(15)
      QG    ARG   66 - QE    PHE   50  far    0    71   0   -  7.3-7.9
      QG    ARG   48 - QE    PHE   50  far    0   100   0   -  8.8-9.6
      QB    ALA   43 - QE    PHE   50  far    0    99   0   -  8.9-10.6
    Violated in 2 structures by 0.00 A.
 
    Peak 268 from c13ar.peaks (1.44, 7.29, 130.75 ppm; 4.12 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    ALA   55 + QE    PHE   50  far    0    98   0   -  7.7-8.2
    Violated in 20 structures by 3.79 A.
 
    Peak 269 from c13ar.peaks (1.05, 7.29, 130.75 ppm; 4.68 A increased from 3.94 A):
    1 out of 1 assignment used, quality = 0.99:
      QD1   LEU   68 + QE    PHE   50  OK    99   100 100  99  3.4-4.7   2510/2.2=92, 2013/4.4=50, 2009/4.4=48, 2509/6.5=29...(6)
    Violated in 2 structures by 0.00 A.
 
    Peak 270 from c13ar.peaks (0.97, 7.29, 130.75 ppm; 4.56 A increased from 4.06 A):
    1 out of 3 assignments used, quality = 1.00:
      HG    LEU   65 + QE    PHE   50  OK   100   100 100 100  3.4-4.4   283/2.2=90, 2.1/271=86, 2.1/272=83, ~281=64...(10)
      QD2   LEU   68 - QE    PHE   50  far    0    99   0   -  5.6-6.8
      QG2   VAL  119 - QE    PHE   50  far    0    98   0   -  7.2-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 271 from c13ar.peaks (0.76, 7.29, 130.75 ppm; 3.99 A):
    1 out of 4 assignments used, quality = 1.00:
      QD1   LEU   65 + QE    PHE   50  OK   100   100 100 100  2.1-3.1   284/2.2=79, 2.1/272=68, 2.1/270=57, 1598/266=55...(13)
      QD2   LEU   89 - QE    PHE   50  far    0    85   0   -  8.2-9.6
      QD1   LEU   87 - QE    PHE   50  far    0    89   0   -  9.6-10.8
      QD2   LEU   45 - QE    PHE   50  far    0    65   0   -  9.9-11.7
    Violated in 0 structures by 0.00 A.
 
    Peak 272 from c13ar.peaks (0.60, 7.29, 130.75 ppm; 4.12 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   65 + QE    PHE   50  OK   100   100 100 100  3.2-3.7   281/2.2=87, 2.1/271=75, 2.1/270=61, ~284=51...(16)
    Violated in 1 structures by 0.00 A.
 
    Peak 273 from c13ar.peaks (3.28, 7.02, 132.31 ppm; 3.13 A):
    1 out of 3 assignments used, quality = 0.81:
      HB2   PHE   50 + QD    PHE   50  OK    81    81 100 100  2.3-2.5   2.5=100
      HB2   PHE   47 - QD    PHE   50  far    0    99   0   -  4.7-6.8
      QD    ARG   46 - QD    PHE   50  far    0    68   0   -  6.9-8.9
    Violated in 0 structures by 0.00 A.
 
    Peak 274 from c13ar.peaks (2.63, 7.02, 132.31 ppm; 3.08 A):
    1 out of 2 assignments used, quality = 0.89:
      HB3   PHE   50 + QD    PHE   50  OK    89    89 100 100  2.3-2.5   2.5=100
      HB2   CYS   69 - QD    PHE   50  far    0    57   0   -  8.5-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 275 from c13ar.peaks (2.28, 7.02, 132.31 ppm; 4.36 A increased from 4.10 A):
    1 out of 3 assignments used, quality = 0.98:
      HB2   GLN   64 + QD    PHE   50  OK    98   100 100  98  3.7-4.1   264/2.2=81, 1.8/276=71, ~265=32, 7.1/281=23...(6)
      HG3   GLU   67 - QD    PHE   50  far    0    57   0   -  8.0-8.9
      QG    GLU   54 - QD    PHE   50  far    0    83   0   -  9.1-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 276 from c13ar.peaks (2.14, 7.02, 132.31 ppm; 4.63 A increased from 3.90 A):
    1 out of 7 assignments used, quality = 0.99:
      HB3   GLN   64 + QD    PHE   50  OK    99   100 100  99  3.9-4.7   1.8/275=85, ~264=64, 2464/2510=56, 265/2.2=43...(7)
      HB2   LEU   68 - QD    PHE   50  far    3    68   5   -  4.6-6.9
      QG    GLU   53 - QD    PHE   50  far    0    90   0   -  4.9-5.4
      QB    GLU   67 - QD    PHE   50  far    0    92   0   -  7.6-8.3
      HB2   GLU   60 - QD    PHE   50  far    0    97   0   -  8.1-9.8
      QG    GLU   90 - QD    PHE   50  far    0   100   0   -  8.8-10.7
      QB    GLN   71 - QD    PHE   50  far    0   100   0   -  9.2-11.0
    Violated in 2 structures by 0.00 A.
 
    Peak 277 from c13ar.peaks (1.91, 7.02, 132.31 ppm; 4.12 A increased from 3.66 A):
    1 out of 4 assignments used, quality = 0.95:
      QB    ALA   61 + QD    PHE   50  OK    95    96 100 100  3.6-3.9   266/2.2=88, 1598/284=55, ~71=50, ~2258=46...(10)
      QB    ARG   46 - QD    PHE   50  far    0    85   0   -  5.8-6.6
      HB3   PRO  112 - QD    PHE   50  far    0   100   0   -  8.5-9.3
      HB2   LEU   93 - QD    PHE   50  far    0    71   0   -  8.7-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 278 from c13ar.peaks (1.62, 7.02, 132.31 ppm; 3.39 A increased from 3.01 A):
    1 out of 5 assignments used, quality = 0.97:
      QB    ALA   95 + QD    PHE   50  OK    97    97 100 100  2.8-3.3   1722=90, 267/2.2=42, 2008/2.5=33, 1711/281=30...(15)
      QG    ARG   46 - QD    PHE   50  far    0    71   0   -  5.3-8.3
      QG    ARG   48 - QD    PHE   50  far    0   100   0   -  6.9-7.8
      QB    ALA   43 - QD    PHE   50  far    0    95   0   -  7.8-9.2
      HG    LEU   45 - QD    PHE   50  far    0    99   0   -  9.9-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 279 from c13ar.peaks (1.05, 7.02, 132.31 ppm; 3.75 A increased from 3.16 A):
    1 out of 1 assignment used, quality = 1.00:
      QD1   LEU   68 + QD    PHE   50  OK   100   100 100 100  2.3-3.6   2510=100, 269/2.2=47, 2013/2.5=46, 2009/2.5=44...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 281 from c13ar.peaks (0.60, 7.02, 132.31 ppm; 3.32 A):
    1 out of 1 assignment used, quality = 1.00:
      QD2   LEU   65 + QD    PHE   50  OK   100   100 100 100  2.0-2.5   2403=65, 2.1/284=59, 2.1/283=55, 2370/2.5=48...(17)
    Violated in 0 structures by 0.00 A.
 
    Peak 283 from c13ar.peaks (0.97, 7.02, 132.31 ppm; 3.71 A increased from 3.49 A):
    1 out of 4 assignments used, quality = 1.00:
      HG    LEU   65 + QD    PHE   50  OK   100   100 100 100  3.4-3.7   2.1/281=77, 2.1/284=72, 270/2.2=48, ~271=37...(13)
      QD2   LEU   68 - QD    PHE   50  far    0    99   0   -  4.5-5.7
      QG2   VAL  119 - QD    PHE   50  far    0    98   0   -  8.7-9.1
      QD2   LEU   87 - QD    PHE   50  far    0    68   0   -  9.6-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 284 from c13ar.peaks (0.76, 7.02, 132.31 ppm; 3.56 A):
    1 out of 5 assignments used, quality = 1.00:
      QD1   LEU   65 + QD    PHE   50  OK   100   100 100 100  2.5-3.5   2396=85, 2.1/281=73, 2.1/283=64, 271/2.2=56...(16)
      QD2   LEU   45 - QD    PHE   50  far    0    65   0   -  8.2-9.9
      QD2   LEU   89 - QD    PHE   50  far    0    85   0   -  8.3-9.4
      QD1   LEU   87 - QD    PHE   50  far    0    89   0   -  8.8-9.8
      QD1   LEU   84 - QD    PHE   50  far    0    89   0   -  9.9-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 285 from c13ar.peaks (3.11, 7.18, 129.20 ppm; 4.80 A):
    0 out of 2 assignments used, quality = 0.00:
      HA    CYS   69 + HZ    PHE   47  far    0    98   0   -  5.4-6.3
      HB2   PHE   92 + HZ    PHE   47  far    0   100   0   -  6.7-7.3
    Violated in 20 structures by 0.85 A.
 
    Peak 286 from c13ar.peaks (2.54, 7.18, 129.20 ppm; 4.21 A):
    0 out of 1 assignment used, quality = 0.00:
      HG2   PRO  112 + HZ    PHE   47  far    0   100   0   -  6.9-7.9
    Violated in 20 structures by 3.52 A.
 
    Peak 288 from c13ar.peaks (1.70, 7.18, 129.20 ppm; 3.62 A):
    2 out of 3 assignments used, quality = 0.99:
      HB3   LEU   87 + HZ    PHE   47  OK    95    98 100  97  2.1-3.0   1.8/290=62, 3.1/292=40, 3.0/296=37, 3103=35...(10)
      QB    GLN   91 + HZ    PHE   47  OK    86    93 100  92  1.9-2.3   2.5/295=50, 3.4/85=38, 2.5/87=36, 314/2.2=27...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 290 from c13ar.peaks (2.34, 7.18, 129.20 ppm; 4.03 A):
    1 out of 2 assignments used, quality = 0.90:
      HB2   LEU   87 + HZ    PHE   47  OK    90    92 100  98  2.0-2.6   3.1/292=50, 3.0/296=48, 1.8/3103=47, 3105=43...(10)
      HB    VAL   88 - HZ    PHE   47  far    4    85   5   -  4.0-5.2
    Violated in 0 structures by 0.00 A.
 
    Peak 291 from c13ar.peaks (0.60, 7.18, 129.20 ppm; 4.43 A increased from 4.17 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   65 + HZ    PHE   47  OK   100   100 100 100  3.3-4.4   319/2.2=88, 2404/3.8=64, ~2397=50, 3140/88=47...(14)
      HG2   ARG   44 - HZ    PHE   47  far    0   100   0   -  6.9-9.8
    Violated in 1 structures by 0.00 A.
 
    Peak 292 from c13ar.peaks (0.76, 7.18, 129.20 ppm; 4.53 A increased from 4.03 A):
    1 out of 6 assignments used, quality = 0.75:
      QD1   LEU   87 + HZ    PHE   47  OK    75    76 100  99  3.4-4.4   3.1/290=71, 2.1/296=69, 3.1/3103=51, 5.0/321=43...(8)
      QD1   LEU   65 - HZ    PHE   47  far    0    98   0   -  4.9-5.8
      QD1   LEU   84 - HZ    PHE   47  far    0    76   0   -  6.0-7.1
      HG    LEU   73 - HZ    PHE   47  far    0    60   0   -  6.9-8.0
      QD2   LEU   89 - HZ    PHE   47  far    0    71   0   -  7.0-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 293 from c13ar.peaks (0.93, 7.18, 129.20 ppm; 3.76 A):
    0 out of 3 assignments used, quality = 0.00:
      QG1   VAL   88 + HZ    PHE   47  far    0    76   0   -  4.4-5.1
      QD1   LEU   93 + HZ    PHE   47  far    0   100   0   -  9.0-9.4
    Violated in 20 structures by 0.96 A.
 
    Peak 294 from c13ar.peaks (1.13, 7.18, 129.20 ppm; 3.73 A):
    1 out of 2 assignments used, quality = 0.84:
      QG2   VAL   88 + HZ    PHE   47  OK    84    92  93  99  3.2-4.0   3.2/88=60, 3164/2.2=56, 3.9/321=36, ~2762=33...(13)
    Violated in 4 structures by 0.02 A.
 
    Peak 295 from c13ar.peaks (1.31, 7.18, 129.20 ppm; 4.24 A):
    1 out of 4 assignments used, quality = 0.55:
      HG3   GLN   91 + HZ    PHE   47  OK    55    63 100  87  3.1-4.3   4.0/87=41, 2.5/288=38, 4.9/85=38, 3216/291=28
      HB3   LEU   89 - HZ    PHE   47  far    0    68   0   -  6.7-7.3
      HB3   LEU   62 - HZ    PHE   47  far    0    99   0   -  9.2-10.2
    Violated in 2 structures by 0.00 A.
 
    Peak 296 from c13ar.peaks (1.80, 7.18, 129.20 ppm; 4.76 A increased from 3.81 A):
    1 out of 6 assignments used, quality = 0.99:
      HG    LEU   87 + HZ    PHE   47  OK    99    99 100 100  4.3-4.6   3099=91, 2.1/292=80, 3.0/290=78, 3.0/3103=57...(10)
      QB    ARG   48 - HZ    PHE   47  far    0    85   0   -  5.5-6.7
      HG    LEU   84 - HZ    PHE   47  far    0    89   0   -  6.7-9.6
      HG    LEU   86 - HZ    PHE   47  far    0   100   0   -  8.4-9.2
      HG3   PRO  112 - HZ    PHE   47  far    0    83   0   -  8.5-9.5
      QE    MET   83 - HZ    PHE   47  far    0    63   0   -  8.6-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 297 from c13ar.peaks (3.28, 7.24, 132.05 ppm; 3.62 A):
    1 out of 3 assignments used, quality = 0.99:
      HB2   PHE   47 + QD    PHE   47  OK    99    99 100 100  2.3-2.5   2.4=100
      HB2   PHE   50 - QD    PHE   47  far    0    81   0   -  3.8-4.9
      QD    ARG   46 - QD    PHE   47  far    0    68   0   -  6.6-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 298 from c13ar.peaks (3.05, 7.24, 132.05 ppm; 3.61 A):
    1 out of 3 assignments used, quality = 0.93:
      HB3   PHE   47 + QD    PHE   47  OK    93    93 100 100  2.3-2.4   2.4=100
      HB3   PHE   92 - QD    PHE   47  far    0   100   0   -  6.9-7.7
      HD3   ARG   66 - QD    PHE   47  far    0    97   0   -  8.5-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 299 from c13ar.peaks (2.80, 7.24, 132.05 ppm; 4.01 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    TYR   52 + QD    PHE   47  far    0    93   0   -  9.0-9.6
    Violated in 20 structures by 5.41 A.
 
    Peak 300 from c13ar.peaks (2.54, 7.24, 132.05 ppm; 4.22 A):
    0 out of 1 assignment used, quality = 0.00:
      HG2   PRO  112 + QD    PHE   47  far    0   100   0   -  8.9-9.6
    Violated in 20 structures by 5.18 A.
 
    Peak 301 from c13ar.peaks (2.17, 7.24, 132.05 ppm; 3.74 A):
    1 out of 6 assignments used, quality = 0.99:
      HB2   LEU   68 + QD    PHE   47  OK    99    99 100  99  2.5-3.6   3.1/306=51, 1.8/2523=49, 2519=47, 3.1/2530=38...(13)
      HB3   GLN   64 - QD    PHE   47  far    0    63   0   -  6.3-7.1
      QB    GLN   71 - QD    PHE   47  far    0    63   0   -  6.4-7.9
      QG    GLU   90 - QD    PHE   47  far    0    60   0   -  7.3-8.6
      QG    GLU   53 - QD    PHE   47  far    0    90   0   -  9.7-10.4
      HG3   GLU   41 - QD    PHE   47  far    0    68   0   -  9.9-11.6
    Violated in 1 structures by 0.00 A.
 
    Peak 302 from c13ar.peaks (1.34, 7.24, 132.05 ppm; 4.24 A):
    1 out of 5 assignments used, quality = 0.97:
      HB3   LEU   65 + QD    PHE   47  OK    97    97 100 100  2.6-3.8   315/2.2=77, 3.1/2404=68, 3.0/102=65, 3.1/304=49...(14)
      HB3   LEU   86 - QD    PHE   47  far    0   100   0   -  8.5-8.9
      HB3   LEU   62 - QD    PHE   47  far    0    71   0   -  8.7-9.5
      HB3   LEU   89 - QD    PHE   47  far    0    99   0   -  9.3-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 303 from c13ar.peaks (0.60, 7.24, 132.05 ppm; 3.54 A):
    2 out of 3 assignments used, quality = 1.00:
      QD2   LEU   65 + QD    PHE   47  OK   100   100 100 100  1.9-2.9   2404=88, 319/2.2=64, 3.1/302=42, 3.7/102=39...(15)
      HG2   ARG   44 + QD    PHE   47  OK    23   100  60  38  3.2-5.9   3.0/1837=25, 6.9/103=12, ~3237=5
    Violated in 0 structures by 0.00 A.
 
    Peak 304 from c13ar.peaks (0.76, 7.24, 132.05 ppm; 4.93 A increased from 3.95 A):
    1 out of 6 assignments used, quality = 0.95:
      QD1   LEU   65 + QD    PHE   47  OK    95   100  95 100  4.3-5.1   2398=96, 2.1/2404=95, 2397/2.2=87, 3.1/302=77...(13)
      QD1   LEU   87 - QD    PHE   47  far    2    89   3   -  4.9-5.8
      QD2   LEU   45 - QD    PHE   47  far    0    65   0   -  5.8-6.9
      QD1   LEU   84 - QD    PHE   47  far    0    89   0   -  6.1-7.1
      QD2   LEU   89 - QD    PHE   47  far    0    85   0   -  8.8-9.5
    Violated in 3 structures by 0.01 A.
 
    Peak 305 from c13ar.peaks (0.97, 7.24, 132.05 ppm; 4.70 A increased from 3.76 A):
    2 out of 3 assignments used, quality = 1.00:
      QD2   LEU   68 + QD    PHE   47  OK   100   100 100 100  4.3-4.7   2530=92, 2483/2.4=90, 2.1/306=89, 3.1/301=79...(17)
      HG    LEU   65 + QD    PHE   47  OK    98    98 100 100  3.8-4.7   2.1/2404=92, 3.0/302=73, 2.1/304=70, 317/2.2=65...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 306 from c13ar.peaks (1.07, 7.24, 132.05 ppm; 3.99 A increased from 3.75 A):
    1 out of 2 assignments used, quality = 0.78:
      QD1   LEU   68 + QD    PHE   47  OK    78    78 100 100  2.5-3.8   3.1/301=61, 2.1/2530=51, 3.1/2523=46, ~2483=44...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 307 from c13ar.peaks (1.58, 7.24, 132.05 ppm; 3.71 A):
    0 out of 4 assignments used, quality = 0.00:
      QG    ARG   66 + QD    PHE   47  far    0    93   0   -  6.5-7.2
      QB    ALA   63 + QD    PHE   47  far    0    63   0   -  8.4-8.7
      QG    ARG   74 + QD    PHE   47  far    0    98   0   -  8.8-9.7
    Violated in 20 structures by 2.41 A.
 
    Peak 308 from c13ar.peaks (3.06, 7.37, 131.27 ppm; 4.44 A):
    1 out of 4 assignments used, quality = 0.83:
      HB3   PHE   47 + QE    PHE   47  OK    83    83 100 100  4.4-4.4   4.4=100
      HB3   PHE   92 - QE    PHE   47  far    0   100   0   -  5.3-6.0
      HB2   CYS   49 - QE    PHE   47  far    0    68   0   -  8.2-9.5
      HD3   ARG   66 - QE    PHE   47  far    0    89   0   -  8.2-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 309 from c13ar.peaks (3.29, 7.37, 131.27 ppm; 4.67 A increased from 4.40 A):
    1 out of 2 assignments used, quality = 0.93:
      HB2   PHE   47 + QE    PHE   47  OK    93    93 100 100  4.4-4.4   4.4=100
      HB2   PHE   50 - QE    PHE   47  far    0    63   0   -  5.3-6.1
    Violated in 0 structures by 0.00 A.
 
    Peak 310 from c13ar.peaks (2.81, 7.37, 131.27 ppm; 4.49 A):
    0 out of 1 assignment used, quality = 0.00:
      QB    TYR   52 + QE    PHE   47  far    0    65   0   -  8.5-9.0
    Violated in 20 structures by 4.33 A.
 
    Peak 311 from c13ar.peaks (2.52, 7.37, 131.27 ppm; 3.93 A):
    1 out of 2 assignments used, quality = 0.50:
      HB3   CYS   69 + QE    PHE   47  OK    50    93  55  97  2.9-5.3   1.8/312=59, 986/91=39, 2557/3164=35, ~2547=35...(9)
      HG2   PRO  112 - QE    PHE   47  far    0    93   0   -  6.8-7.6
    Violated in 6 structures by 0.38 A.
 
    Peak 312 from c13ar.peaks (2.60, 7.37, 131.27 ppm; 4.54 A increased from 4.04 A):
    1 out of 3 assignments used, quality = 0.90:
      HB2   CYS   69 + QE    PHE   47  OK    90   100  90 100  3.8-4.7   1.8/311=91, 2547/2.2=64, 2550=63, 2561/3164=56...(10)
      HB3   PHE   50 - QE    PHE   47  far    2    92   3   -  4.6-5.4
      HD3   ARG   44 - QE    PHE   47  far    0    98   0   -  5.0-7.5
    Violated in 2 structures by 0.03 A.
 
    Peak 313 from c13ar.peaks (1.91, 7.37, 131.27 ppm; 3.82 A):
    0 out of 4 assignments used, quality = 0.00:
      QB    ALA   61 + QE    PHE   47  far    0    87   0   -  6.4-7.3
      HB3   PRO  112 + QE    PHE   47  far    0   100   0   -  6.5-6.9
      QB    ARG   46 + QE    PHE   47  far    0    95   0   -  7.2-7.6
      HB2   LEU   93 + QE    PHE   47  far    0    85   0   -  8.6-10.2
    Violated in 20 structures by 1.91 A.
 
    Peak 314 from c13ar.peaks (1.69, 7.37, 131.27 ppm; 3.84 A):
    2 out of 4 assignments used, quality = 1.00:
      QB    GLN   91 + QE    PHE   47  OK    98   100 100  98  2.3-2.8   3.4/98=42, 3217/319=35, ~295=34, 3218/2397=32...(12)
      HB3   LEU   87 + QE    PHE   47  OK    96   100 100  96  2.0-2.6   3103/2.2=43, ~290=43, ~3105=35, ~3099=28...(10)
      HB3   MET   83 - QE    PHE   47  far    0    78   0   -  8.4-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 315 from c13ar.peaks (1.34, 7.37, 131.27 ppm; 3.97 A):
    1 out of 5 assignments used, quality = 0.97:
      HB3   LEU   65 + QE    PHE   47  OK    97    97 100 100  1.9-2.2   302/2.2=63, 3.1/319=63, 3.0/93=55, 2381=54...(18)
      HB3   LEU   86 - QE    PHE   47  far    0   100   0   -  6.7-7.2
      HB3   LEU   89 - QE    PHE   47  far    0    99   0   -  7.1-7.8
      HB3   LEU   62 - QE    PHE   47  far    0    71   0   -  7.5-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 316 from c13ar.peaks (1.10, 7.37, 131.27 ppm; 3.88 A):
    1 out of 2 assignments used, quality = 0.97:
      QG2   VAL   88 + QE    PHE   47  OK    97    97 100 100  2.4-3.7   3164=87, 2.1/2762=56, 3.2/95=54, 3165/2.2=49...(16)
    Violated in 0 structures by 0.00 A.
 
    Peak 317 from c13ar.peaks (0.95, 7.37, 131.27 ppm; 4.70 A increased from 3.76 A):
    1 out of 4 assignments used, quality = 0.78:
      HG    LEU   65 + QE    PHE   47  OK    78    78 100 100  2.5-4.6   2.1/319=94, 2.1/2397=83, 3.0/315=78, ~2404=63...(14)
      QD2   LEU   68 - QE    PHE   47  far    0    95   0   -  6.0-6.6
      QD1   LEU   93 - QE    PHE   47  far    0    81   0   -  8.9-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 318 from c13ar.peaks (0.76, 7.37, 131.27 ppm; 4.33 A increased from 3.85 A):
    2 out of 6 assignments used, quality = 0.99:
      QD1   LEU   65 + QE    PHE   47  OK    98    98 100 100  3.5-4.2   2397=98, 2.1/319=87, 3.1/315=67, 2.1/317=64...(15)
      QD1   LEU   87 + QE    PHE   47  OK    55    76  73 100  3.7-4.6   292/2.2=67, ~3099=44, ~296=42, ~290=39...(15)
      QD1   LEU   84 - QE    PHE   47  far    0    76   0   -  5.7-6.6
      HG    LEU   73 - QE    PHE   47  far    0    60   0   -  5.7-7.1
      QD2   LEU   89 - QE    PHE   47  far    0    71   0   -  7.1-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 319 from c13ar.peaks (0.60, 7.37, 131.27 ppm; 3.64 A):
    1 out of 3 assignments used, quality = 1.00:
      QD2   LEU   65 + QE    PHE   47  OK   100   100 100 100  1.9-2.6   2405=91, 2404/2.2=66, 2.1/2397=53, 291/2.2=49...(17)
      HG2   ARG   44 - QE    PHE   47  far    0   100   0   -  4.5-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 320 from c13ar.peaks (7.72, 7.04, 120.66 ppm; 5.48 A increased from 4.38 A):
    1 out of 2 assignments used, quality = 1.00:
      H     HIS   51 + HD2   HIS   51  OK   100   100 100 100  5.2-5.3   784/4.0=85, 5.8=83, 782/4.0=81, 5.9/69=49...(7)
      H     THR   56 - HD2   HIS   51  far    0   100   0   -  7.9-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 321 from c13ar.peaks (8.95, 7.18, 129.20 ppm; 4.52 A):
    1 out of 1 assignment used, quality = 0.99:
      H     VAL   88 + HZ    PHE   47  OK    99    99 100 100  2.8-3.4   3.0/88=84, 3.9/294=63, 4.4/290=53, 370=46...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 322 from c13ar.peaks (8.39, 7.24, 132.05 ppm; 4.71 A):
    1 out of 1 assignment used, quality = 0.87:
      H     ARG   48 + QD    PHE   47  OK    87    87 100 100  2.5-3.4   137=86, 3.6/101=76, 742/2.4=69, 743/2.4=68...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 323 from c13ar.peaks (7.10, 7.40, 125.83 ppm; 3.01 A):
    1 out of 2 assignments used, quality = 1.00:
      HZ3   TRP   72 + HH2   TRP   72  OK   100   100 100 100  2.4-2.4   2.4=100
      HE3   TRP   72 - HH2   TRP   72  far    0    97   0   -  4.3-4.3
    Violated in 0 structures by 0.00 A.
 
    Peak 324 from c13ar.peaks (7.40, 7.10, 120.66 ppm; 3.22 A):
    1 out of 2 assignments used, quality = 1.00:
      HH2   TRP   72 + HZ3   TRP   72  OK   100   100 100 100  2.4-2.4   2.4=100
      H     GLU   67 - HZ3   TRP   72  far    0    96   0   -  9.2-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 325 from c13ar.peaks (7.39, 7.11, 120.14 ppm; 4.37 A increased from 3.50 A):
    1 out of 4 assignments used, quality = 0.97:
      HH2   TRP   72 + HE3   TRP   72  OK    97    97 100 100  4.3-4.3   4.3=100
      QE    PHE   47 - HE3   TRP   72  far   15    87  18   -  3.8-5.0
      HZ2   TRP   72 - HE3   TRP   72  far    0    78   0   -  5.0-5.0
      H     GLU   67 - HE3   TRP   72  far    0   100   0   -  8.4-8.9
    Violated in 0 structures by 0.00 A.
 
    Average quality of peak assignments : 0.840
    Average number of used assignments  : 1.000
    Average rank of reference assignment: 1.012
    Peaks with increased upper limit    : 968
    Peaks with decreased upper limit    : 0
 
    Protons used in less than 30% of expected peaks:
    Peak observation distance: 3.59 A
    Atom  Residue     Shift  Peaks   Used Expect
    QA    GLY  128    3.838     38      0      1
    HA    ASP  337    4.934      0      0      3
    HB2   ASP  337    2.792      1      0      4
    HB3   ASP  337    2.639      2      0      4
    HA    PRO  338    4.521      1      0      6
    HB2   PRO  338    2.267      0      0      5
    HB3   PRO  338    2.079      0      0      5
    QG    PRO  338    2.045      0      0      6
    QD    PRO  338    3.927      1      0      8
    H     GLY  339    8.578      2      0      7
    HA2   GLY  339    4.211      1      0      4
    HA3   GLY  339    4.062      2      0      4
    HA    PRO  340    4.693      1      0      7
    QB    PRO  340    2.736      2      0      9
    HG2   PRO  340    2.267      6      0      5
    HG3   PRO  340    2.110      2      0      5
    HD2   PRO  340    3.845      3      0      7
    HD3   PRO  340    3.697      2      0      7
    H     GLU  341    7.963      8      0     12
    HA    GLU  341    4.466      3      0      9
    HB2   GLU  341    2.051      3      0      5
    HB3   GLU  341    1.796      6      0      5
    HG2   GLU  341    2.316      1      0      6
    HG3   GLU  341    2.194      0      0      6
    H     ALA  342    7.875      0      0      7
    HA    ALA  342    4.059      5      0      5
    QB    ALA  342    1.443      1      0      9
    H     ALA  343    7.858      2      0      7
    HA    ALA  343    4.047      1      0      8
    QB    ALA  343    1.609      2      0     10
    H     ARG  344    8.426      2      0     10
    HA    ARG  344    2.733      1      0     13
    HB2   ARG  344    1.502      1      0     12
    HB3   ARG  344    0.295      1      0     12
    HG2   ARG  344    0.604      1      0      8
    HG3   ARG  344   -0.750      2      0      8
    HD2   ARG  344    3.183      2      0      7
    HD3   ARG  344    2.608      1      0      7
    HE    ARG  344    8.632      1      0      4
    H     LEU  345    8.111      2      0     13
    HA    LEU  345    3.763      2      0      9
    HB2   LEU  345    1.756      2      0      7
    HB3   LEU  345    1.390      1      0      7
    HG    LEU  345    1.615      3      0      7
    QD1   LEU  345    0.818      8      0     10
    QD2   LEU  345    0.728      7      0     10
    H     ARG  346    7.543      3      0     13
    HA    ARG  346    3.980      2      0     10
    QB    ARG  346    1.924      0      0      8
    QG    ARG  346    1.647      2      0      4
    QD    ARG  346    3.254      4      0      7
    H     PHE  347    7.650      1      0      8
    HA    PHE  347    4.429      0      0     11
    HB2   PHE  347    3.273      0      0     11
    HB3   PHE  347    3.035      1      0     11
    QD    PHE  347    7.244      0      0     19
    QE    PHE  347    7.368      0      0     19
    HZ    PHE  347    7.180      0      0     11
    H     ARG  348    8.370      0      0     10
    HA    ARG  348    3.834      0      0     10
    QB    ARG  348    1.783      0      0      6
    QG    ARG  348    1.618      1      0      7
    QD    ARG  348    2.841      0      0      6
    HE    ARG  348    9.927      0      0      3
    H     CYS  349    8.028      0      0      8
    HA    CYS  349    4.529      0      0      4
    HB2   CYS  349    3.081      0      0      5
    HB3   CYS  349    2.883      0      0      5
    H     PHE  350    6.894      0      0      7
    HA    PHE  350    4.141      0      0      5
    HB2   PHE  350    3.259      0      0     13
    HB3   PHE  350    2.614      0      0     13
    QD    PHE  350    7.023      0      0     11
    QE    PHE  350    7.291      0      0     10
    H     HIS  351    7.725      0      0      5
    HA    HIS  351    4.724      0      0      5
    HB2   HIS  351    2.961      0      0      6
    HB3   HIS  351    2.874      0      0      6
    HD2   HIS  351    7.036      0      0      3
    HE1   HIS  351    8.158      0      0      3
    H     TYR  352    8.296      0      0      7
    HA    TYR  352    4.101      0      0      7
    QB    TYR  352    2.784      0      0     10
    QD    TYR  352    6.816      0      0     12
    QE    TYR  352    6.541      0      0     18
    H     GLU  353    8.449      0      0      8
    HA    GLU  353    4.233      0      0      6
    HB2   GLU  353    1.973      0      0      9
    HB3   GLU  353    1.791      0      0      9
    QG    GLU  353    2.152      0      0      7
    H     GLU  354    8.438      0      0      5
    HA    GLU  354    3.831      0      0      9
    QB    GLU  354    2.017      0      0      5
    QG    GLU  354    2.264      0      0      5
    H     ALA  355    8.401      0      0      9
    HA    ALA  355    4.279      0      0      3
    QB    ALA  355    1.433      0      0      5
    H     THR  356    7.716      0      0      9
    HA    THR  356    4.253      0      0      4
    HB    THR  356    4.290      0      0      3
    QG2   THR  356    1.283      0      0     14
    H     GLY  357    7.616      0      0      6
    HA2   GLY  357    4.423      0      0      5
    HA3   GLY  357    4.208      0      0      5
    HA    PRO  358    4.609      0      0      9
    HB2   PRO  358    2.393      0      0     17
    HB3   PRO  358    2.074      0      0     17
    HG2   PRO  358    2.261      0      0     17
    HG3   PRO  358    2.195      0      0     17
    HD2   PRO  358    4.091      0      0     12
    HD3   PRO  358    3.815      0      0     12
    H     GLN  359    8.491      0      0     15
    HA    GLN  359    3.955      0      0     11
    QB    GLN  359    2.109      0      0      5
    HG2   GLN  359    2.502      0      0      8
    HG3   GLN  359    2.449      0      0      8
    HE21  GLN  359    7.618      0      0     12
    HE22  GLN  359    6.913      0      0     12
    H     GLU  360    8.578      0      0      7
    HA    GLU  360    4.223      0      0      8
    HB2   GLU  360    2.125      0      0      7
    HB3   GLU  360    2.004      0      0      7
    HG2   GLU  360    2.406      0      0      9
    HG3   GLU  360    2.354      0      0      9
    H     ALA  361    7.789      0      0      9
    HA    ALA  361    4.316      0      0     11
    QB    ALA  361    1.893      0      0     13
    H     LEU  362    8.120      0      0     12
    HA    LEU  362    3.781      0      0     14
    HB2   LEU  362    1.753      0      0      8
    HB3   LEU  362    1.314      0      0      8
    HG    LEU  362    1.393      0      0      9
    QD1   LEU  362    0.481      0      0     24
    QD2   LEU  362    0.286      0      0     24
    H     ALA  363    7.728      0      0      8
    HA    ALA  363    4.101      0      0      6
    QB    ALA  363    1.549      0      0      7
    H     GLN  364    8.129      0      0     10
    HA    GLN  364    4.120      0      0      9
    HB2   GLN  364    2.283      0      0     10
    HB3   GLN  364    2.140      0      0     10
    HG2   GLN  364    2.726      0      0     12
    HG3   GLN  364    2.482      0      0     12
    HE21  GLN  364    7.652      0      0      5
    HE22  GLN  364    6.870      0      0      5
    H     LEU  365    8.628      0      0     12
    HA    LEU  365    3.917      0      0     14
    HB2   LEU  365    1.946      0      0     15
    HB3   LEU  365    1.349      0      0     15
    HG    LEU  365    0.976      0      0      7
    QD1   LEU  365    0.752      0      0     29
    QD2   LEU  365    0.598      0      0     29
    H     ARG  366    8.675      0      0     10
    HA    ARG  366    3.800      0      0      9
    QB    ARG  366    1.861      0      0     10
    QG    ARG  366    1.591      0      0     10
    HD2   ARG  366    3.089      0      0      4
    HD3   ARG  366    3.038      0      0      4
    H     GLU  367    7.387      0      0      9
    HA    GLU  367    4.212      0      0      7
    QB    GLU  367    2.121      0      0      7
    HG2   GLU  367    2.374      0      0     11
    HG3   GLU  367    2.254      0      0     11
    H     LEU  368    8.514      0      0     12
    HA    LEU  368    4.067      0      0     14
    HB2   LEU  368    2.162      0      0     12
    HB3   LEU  368    1.515      0      0     12
    HG    LEU  368    2.039      0      0      7
    QD1   LEU  368    1.047      0      0     25
    QD2   LEU  368    0.967      0      0     25
    H     CYS  369    8.588      0      0      8
    HA    CYS  369    3.116      0      0     10
    HB2   CYS  369    2.601      0      0     11
    HB3   CYS  369    2.508      0      0     11
    H     ARG  370    7.962      0      0      8
    HA    ARG  370    3.616      0      0     13
    QB    ARG  370    1.978      0      0     10
    HG2   ARG  370    1.745      0      0     10
    HG3   ARG  370    1.528      0      0     10
    HD2   ARG  370    3.228      0      0      8
    HD3   ARG  370    3.164      1      0      8
    H     GLN  371    8.308      1      0     10
    HA    GLN  371    3.978      0      0      8
    QB    GLN  371    2.140      1      0      9
    HG2   GLN  371    2.706      0      0      9
    HG3   GLN  371    2.449      0      0      9
    HE21  GLN  371    7.863      0      0      9
    HE22  GLN  371    6.725      0      0      9
    H     TRP  372    7.345      1      0      9
    HA    TRP  372    4.888      0      0      9
    HB2   TRP  372    3.321      0      0     13
    HB3   TRP  372    2.763      0      0     13
    HD1   TRP  372    7.177      2      0      7
    HE3   TRP  372    7.113      0      0      8
    HE1   TRP  372   10.324      3      0      2
    HZ3   TRP  372    7.099      0      0     11
    HZ2   TRP  372    7.364      2      0      4
    HH2   TRP  372    7.397      0      0      9
    H     LEU  373    7.992      0      0     12
    HA    LEU  373    3.235      0      0      7
    HB2   LEU  373    1.257      0      0     10
    HB3   LEU  373    0.972      2      0     10
    HG    LEU  373    0.790      1      0      8
    QD1   LEU  373    0.281      0      0     28
    QD2   LEU  373   -0.640      0      0     28
    H     ARG  374    8.350      1      0     12
    HA    ARG  374    4.132      0      0      8
    HB2   ARG  374    1.921      2      0      6
    HB3   ARG  374    1.798      2      0      6
    QG    ARG  374    1.586      2      0      7
    QD    ARG  374    3.195      2      0      4
    HA    PRO  375    4.349      0      0      6
    QB    PRO  375    2.088      0      0     11
    QG    PRO  375    1.986      0      0     14
    HD2   PRO  375    3.999      0      0     10
    HD3   PRO  375    3.178      0      0     10
    H     GLU  376    9.829      1      0      7
    HA    GLU  376    4.193      0      0      3
    QB    GLU  376    1.990      1      0      7
    HG2   GLU  376    2.387      1      0      6
    HG3   GLU  376    2.284      0      0      6
    H     VAL  377    7.781      1      0     11
    HA    VAL  377    4.425      0      0      5
    HB    VAL  377    2.191      0      0      4
    QG1   VAL  377    0.901      3      0     11
    QG2   VAL  377    0.884      2      0     11
    H     ARG  378    8.027      1      0     10
    HA    ARG  378    4.631      0      0      6
    HB2   ARG  378    1.703      0      0     13
    HB3   ARG  378    1.528      0      0     13
    HG2   ARG  378    1.769      0      0      9
    HG3   ARG  378    1.479      0      0      9
    HD2   ARG  378    3.063      0      0      7
    HD3   ARG  378    2.772      0      0      7
    H     SER  379    8.542      0      0      8
    HA    SER  379    4.445      0      0      7
    HB2   SER  379    4.445      0      0      7
    HB3   SER  379    3.996      0      0      7
    H     LYS  380    9.093      0      0     13
    HA    LYS  380    3.790      0      0     12
    HB2   LYS  380    1.873      0      0     12
    HB3   LYS  380    1.498      0      0     12
    HG2   LYS  380    1.622      0      0     10
    HG3   LYS  380    1.168      0      0     10
    QD    LYS  380    1.742      0      0      9
    HE2   LYS  380    3.081      0      0      8
    HE3   LYS  380    2.984      0      0      8
    H     GLU  381    8.707      0      0     13
    HA    GLU  381    3.833      0      0      9
    HB2   GLU  381    2.013      0      0      6
    HB3   GLU  381    1.939      0      0      6
    HG2   GLU  381    2.417      0      0      5
    HG3   GLU  381    2.220      0      0      5
    H     GLN  382    7.849      0      0     10
    HA    GLN  382    3.952      0      0      6
    QB    GLN  382    1.998      0      0      7
    QG    GLN  382    2.445      0      0      6
    H     MET  383    8.241      0      0     10
    HA    MET  383    3.662      0      0     10
    HB2   MET  383    2.220      0      0     10
    HB3   MET  383    1.664      0      0     10
    HG2   MET  383    2.595      0      0     14
    HG3   MET  383    2.149      0      0     14
    QE    MET  383    1.774      0      0     18
    H     LEU  384    8.048      0      0     10
    HA    LEU  384    3.763      0      0     12
    QB    LEU  384    1.756      0      0     10
    HG    LEU  384    1.819      0      0      6
    QD1   LEU  384    0.738      0      0     32
    H     GLU  385    7.872      0      0      9
    HA    GLU  385    4.073      0      0     11
    QB    GLU  385    2.122      0      0      9
    HG2   GLU  385    2.390      0      0      8
    HG3   GLU  385    2.259      0      0      8
    H     LEU  386    7.190      0      0     15
    HA    LEU  386    4.190      0      0      9
    HB2   LEU  386    1.765      0      0      9
    HB3   LEU  386    1.338      0      0      9
    HG    LEU  386    1.806      0      0      7
    QD1   LEU  386    0.667      0      0     15
    QD2   LEU  386    0.888      0      0     15
    H     LEU  387    7.569      0      0     11
    HA    LEU  387    4.495      0      0      8
    HB2   LEU  387    2.327      0      0     15
    HB3   LEU  387    1.690      0      0     15
    HG    LEU  387    1.809      0      0      8
    QD1   LEU  387    0.738      1      0     23
    QD2   LEU  387    0.999      1      0     23
    H     VAL  388    8.961      0      0     12
    HA    VAL  388    3.716      0      0     12
    HB    VAL  388    2.323      0      0     10
    QG1   VAL  388    0.905      0      0     34
    QG2   VAL  388    1.112      0      0     34
    H     LEU  389    8.509      0      0     12
    HA    LEU  389    3.935      0      0     16
    HB2   LEU  389    2.266      0      0     14
    HB3   LEU  389    1.333      0      0     14
    HG    LEU  389    1.732      0      0      5
    QD1   LEU  389    0.814      0      0     20
    QD2   LEU  389    0.736      0      0     20
    H     GLU  390    7.747      0      0      9
    HA    GLU  390    4.037      0      0      7
    QB    GLU  390    2.471      0      0      5
    QG    GLU  390    2.139      0      0      3
    H     GLN  391    7.918      0      0      8
    HA    GLN  391    3.969      0      0      7
    QB    GLN  391    1.685      0      0     10
    HG2   GLN  391    1.838      0      0     12
    HG3   GLN  391    1.279      0      0     12
    HE21  GLN  391    6.673      0      0      8
    HE22  GLN  391    6.443      0      0      8
    H     PHE  392    9.154      0      0      8
    HA    PHE  392    3.992      0      0      8
    HB2   PHE  392    3.102      0      0     15
    HB3   PHE  392    3.051      0      0     15
    QD    PHE  392    6.917      0      0     17
    QE    PHE  392    7.048      0      0     20
    HZ    PHE  392    6.891      0      0      9
    H     LEU  393    8.134      0      0     11
    HA    LEU  393    3.752      0      0     13
    HB2   LEU  393    1.930      0      0     10
    HB3   LEU  393    1.369      0      0     10
    HG    LEU  393    1.996      0      0     10
    QD1   LEU  393    0.933      0      0     25
    QD2   LEU  393    0.796      0      0     25
    H     GLY  394    7.775      0      0      8
    HA2   GLY  394    3.788      0      0      6
    HA3   GLY  394    3.757      0      0      6
    H     ALA  395    7.614      0      0      6
    HA    ALA  395    4.497      0      0      3
    QB    ALA  395    1.612      0      0     12
    H     LEU  396    6.934      0      0     11
    HA    LEU  396    4.066      0      0     10
    HB2   LEU  396    1.544      0      0     17
    HB3   LEU  396    0.918      0      0     17
    HG    LEU  396    1.874      0      0      8
    QD1   LEU  396    0.540      1      0     29
    QD2   LEU  396   -0.073      0      0     29
    HA    PRO  397    4.765      0      0      4
    HB2   PRO  397    2.582      0      0     11
    HB3   PRO  397    2.034      0      0     11
    HG2   PRO  397    2.284      0      0     12
    HG3   PRO  397    2.099      0      0     12
    HD2   PRO  397    3.818      0      0     17
    HD3   PRO  397    3.236      0      0     17
    HA    PRO  398    4.161      0      0      5
    HB2   PRO  398    2.399      0      0      7
    HB3   PRO  398    1.988      0      0      7
    HG2   PRO  398    2.187      0      0      6
    HG3   PRO  398    2.101      0      0      6
    HD2   PRO  398    3.897      0      0      9
    HD3   PRO  398    3.835      0      0      9
    H     GLU  399    9.547      0      0     15
    HA    GLU  399    4.151      0      0      5
    QB    GLU  399    2.045      0      0      4
    QG    GLU  399    2.338      0      0     12
    H     ILE  400    7.361      0      0     13
    HA    ILE  400    4.010      0      0     13
    HB    ILE  400    1.815      0      0     15
    QG2   ILE  400    0.898      1      0     22
    HG12  ILE  400    1.577      0      0     16
    HG13  ILE  400    1.165      0      0     16
    QD1   ILE  400    0.878      3      0     19
    H     GLN  401    8.498      0      0     16
    HA    GLN  401    3.561      0      0     16
    HB2   GLN  401    2.056      0      0     11
    HB3   GLN  401    1.950      0      0     11
    HG2   GLN  401    2.374      0      0     13
    HG3   GLN  401    2.052      0      0     13
    HE21  GLN  401    7.621      0      0     14
    HE22  GLN  401    6.714      0      0     14
    H     ALA  402    8.082      0      0      7
    HA    ALA  402    4.132      0      0      5
    QB    ALA  402    1.446      0      0      4
    H     ARG  403    7.356      0      0     11
    HA    ARG  403    4.182      2      0      7
    HB2   ARG  403    1.995      0      0     12
    HB3   ARG  403    1.916      1      0     12
    HG2   ARG  403    1.833      0      0      8
    HG3   ARG  403    1.744      0      0      8
    QD    ARG  403    3.244      3      0      9
    H     VAL  404    7.966      0      0      9
    HA    VAL  404    3.797      0      0     10
    HB    VAL  404    1.965      0      0     12
    QQG   VAL  404    0.870      1      0     33
    H     GLN  405    8.577      0      0      9
    HA    GLN  405    3.973      0      0      9
    QB    GLN  405    2.094      0      0      8
    QG    GLN  405    2.400      0      0      6
    HE21  GLN  405    7.257      0      0     13
    HE22  GLN  405    6.696      0      0     13
    H     GLY  406    8.067      0      0      5
    QA    GLY  406    3.951      1      0      2
    H     GLN  407    7.462      1      0      9
    HA    GLN  407    4.327      5      0      4
    QB    GLN  407    2.299      0      0     12
    QG    GLN  407    2.438      1      0      9
    HE21  GLN  407    7.486      2      0     14
    HE22  GLN  407    6.899      1      0     14
    H     ARG  408    8.017      1      0     10
    HA    ARG  408    4.315      0      0      9
    HB2   ARG  408    1.764      0      0      5
    HB3   ARG  408    1.710      0      0      5
    QG    ARG  408    1.528      0      0      6
    HD2   ARG  408    3.271      0      0      7
    HD3   ARG  408    3.145      0      0      7
    HA    PRO  409    4.462      0      0      6
    HB2   PRO  409    1.990      1      0     16
    HB3   PRO  409    1.886      0      0     16
    HG2   PRO  409    2.105      0      0     15
    HG3   PRO  409    1.749      0      0     15
    HD2   PRO  409    3.661      0      0     14
    HD3   PRO  409    3.599      2      0     14
    H     GLY  410    8.920      0      0     12
    HA2   GLY  410    4.280      0      0      5
    HA3   GLY  410    3.819      0      0      5
    H     SER  411    7.454      0      0     13
    HA    SER  411    5.020      0      0      9
    HB2   SER  411    4.309      0      0     10
    HB3   SER  411    3.993      0      0     10
    HA    PRO  412    3.979      0      0     12
    HB2   PRO  412    2.097      0      0     20
    HB3   PRO  412    1.908      0      0     20
    HG2   PRO  412    2.536      0      0     17
    HG3   PRO  412    1.822      0      0     17
    HD2   PRO  412    4.133      0      0     16
    HD3   PRO  412    3.806      0      0     16
    H     GLU  413    8.930      0      0     15
    HA    GLU  413    3.798      0      0     10
    HB2   GLU  413    2.016      0      0      6
    HB3   GLU  413    1.918      0      0      6
    HG2   GLU  413    2.465      0      0      7
    HG3   GLU  413    2.224      0      0      7
    H     GLU  414    7.829      0      0     11
    HA    GLU  414    4.087      1      0      7
    QB    GLU  414    2.113      0      0     13
    HG2   GLU  414    2.390      0      0      8
    HG3   GLU  414    2.270      0      0      8
    H     ALA  415    7.947      0      0     12
    HA    ALA  415    3.936      2      0     12
    QB    ALA  415    1.405      0      0     21
    H     ALA  416    8.507      0      0      7
    HA    ALA  416    3.924      0      0      9
    QB    ALA  416    1.247      0      0     17
    H     ALA  417    7.760      1      0     10
    HA    ALA  417    4.241      3      0      7
    QB    ALA  417    1.522      5      0      6
    H     LEU  418    7.833      2      0     11
    HA    LEU  418    4.192      3      0      7
    HB2   LEU  418    2.120      1      0     12
    HB3   LEU  418    1.466      0      0     12
    HG    LEU  418    1.934      0      0     10
    QD1   LEU  418    0.930      4      0     33
    QD2   LEU  418    0.913      5      0     33
    H     VAL  419    7.903      0      0     14
    HA    VAL  419    3.487      0      0     10
    HB    VAL  419    2.270      0      0      9
    QG1   VAL  419    1.094      0      0     33
    QG2   VAL  419    0.982      0      0     33
    H     ASP  420    8.391      0      0     11
    HA    ASP  420    4.562      0      0     12
    HB2   ASP  420    2.804      0      0     11
    HB3   ASP  420    2.719      2      0     11
    H     GLY  421    7.966      1      0      7
    QA    GLY  421    3.976      6      0      3
    H     LEU  422    7.645      2      0      9
    HA    LEU  422    4.310      0      0      6
    HB2   LEU  422    1.848      1      0      6
    HB3   LEU  422    1.569      0      0      6
    HG    LEU  422    1.934      2      0      8
    QD1   LEU  422    0.867      2      0     28
    QD2   LEU  422    0.866      3      0     28
    H     ARG  423    7.804      2      0     11
    HA    ARG  423    4.326      1      0      8
    QB    ARG  423    1.973      0      0      7
    HG2   ARG  423    1.822      0      0      7
    HG3   ARG  423    1.753      0      0      7
    QD    ARG  423    3.322      0      0     12
    H     ARG  424    8.002      1      0      8
    HA    ARG  424    4.366      2      0      5
    HB2   ARG  424    1.897      0      0      5
    HB3   ARG  424    1.799      0      0      5
    QG    ARG  424    1.680      1      0      5
    QD    ARG  424    3.221      1      0      3
    H     GLU  425    8.249      3      0      5
    HA    GLU  425    4.588      3      0      6
    HB2   GLU  425    2.058      4      0      4
    HB3   GLU  425    1.935      4      0      4
    QG    GLU  425    2.304      5      0      3
    HA    PRO  426    4.437      4      0      4
    HB2   PRO  426    2.312      4      0      6
    HB3   PRO  426    1.981      3      0      6
    QG    PRO  426    2.067      2      0      6
    HD2   PRO  426    3.822      5      0      5
    HD3   PRO  426    3.732      1      0      5
    H     GLY  427    8.491      1      0      6
    QA    GLY  427    3.967      0      0      2
    H     GLY  428    7.940      0      0      3
    QA    GLY  428    3.838      0      0      1
 
    Peaks:
      selected                               :   5087
      with assignment                        :   4613
      without assignment                     :    474
      with diagonal assignment               :    500
    Cross peaks:
      with off-diagonal assignment           :   4113
      with unique assignment                 :   3679
      with short-range assignment    |i-j|<=1:   2759
      with medium-range assignment 1<|i-j|<5 :    661
      with long-range assignment     |i-j|>=5:    693
    Comparison with reference assignment:
      Cross peaks with reference assignment  :    634
      with identical reference assignment    :    543
      with compatible reference assignment   :    625
      with incompatible reference assignment :      8
      with additional reference assignment   :      2
      with additional assignment             :   3480