- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75
         quality=0.2 violation=0.9
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.37, residual support = 46.3:
      O   HA    MET   11 - HN    MET   11   2.77 +/- 0.26  96.742% * 99.3074% (0.95  10.0   3.37  46.33) =  99.997%  kept
          HA    ALA   12 - HN    MET   11   5.16 +/- 0.47   3.227% *  0.0762% (0.73   1.0   0.02  11.96) =   0.003%
          HA    GLU-  14 - HN    MET   11  11.12 +/- 0.84   0.029% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  20.20 +/- 3.32   0.002% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  28.31 +/- 1.83   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  30.55 +/- 2.65   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  34.69 +/- 2.75   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  31.58 +/- 3.64   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  36.25 +/- 3.29   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  38.20 +/- 3.07   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.41 +/- 2.36   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  39.50 +/- 1.94   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.567, support = 2.8, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.73 +/- 0.22  42.808% * 68.6590% (0.71  10.0   2.38  12.45) =  62.369%  kept
      O   HA    MET   11 - HN    ALA   12   2.60 +/- 0.16  57.100% * 31.0568% (0.32  10.0   3.48  11.96) =  37.631%  kept
          HA    GLU-  14 - HN    ALA   12   8.01 +/- 0.94   0.092% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.55 +/- 1.41   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  29.76 +/- 1.41   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  34.24 +/- 2.60   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.02 +/- 1.76   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  32.48 +/- 2.10   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  36.09 +/- 2.38   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.72, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.59 +/- 0.37  97.330% * 97.9907% (0.14  10.0   1.72   5.19) =  99.995%  kept
          HA    GLU-  14 - HN    SER   13   5.01 +/- 0.42   2.670% *  0.1667% (0.20   1.0   0.02   6.62) =   0.005%
          HA    PHE   59 - HN    SER   13  23.79 +/- 1.08   0.000% *  0.4433% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  27.83 +/- 1.10   0.000% *  0.4433% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  31.65 +/- 1.96   0.000% *  0.8259% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  32.09 +/- 2.38   0.000% *  0.1300% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.65:
      O   QB    SER   13 - HN    SER   13   2.93 +/- 0.35  99.969% * 99.5044% (0.87  10.0   2.06   7.65) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  14.23 +/- 2.10   0.018% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  14.50 +/- 1.59   0.012% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  27.99 +/- 1.31   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  29.59 +/- 2.80   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.80 +/- 1.75   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.1:
      O   HA    GLN   17 - HN    VAL   18   2.57 +/- 0.07  99.709% * 99.5491% (0.81  10.0   5.47  50.08) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.10 +/- 0.15   0.234% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  11.78 +/- 0.51   0.012% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  10.50 +/- 1.40   0.029% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  13.85 +/- 0.92   0.004% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.35 +/- 0.91   0.010% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.63 +/- 1.19   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  17.81 +/- 1.30   0.001% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  21.41 +/- 1.77   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.49, residual support = 77.3:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.02  99.344% * 98.8751% (0.36  10.0   5.49  77.28) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.71 +/- 0.10   0.607% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  10.87 +/- 0.94   0.039% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  16.11 +/- 1.24   0.004% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  17.15 +/- 1.15   0.002% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  17.48 +/- 1.12   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  18.22 +/- 0.73   0.002% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  22.86 +/- 1.27   0.000% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.09, residual support = 6.62:
      O   HA    SER   13 - HN    GLU-  14   2.38 +/- 0.15  98.314% * 99.4257% (0.67  10.0   2.09   6.62) =  99.998%  kept
          HA    GLU-  15 - HN    GLU-  14   4.84 +/- 0.45   1.643% *  0.0994% (0.67   1.0   0.02   1.17) =   0.002%
          HA    GLN   17 - HN    GLU-  14   9.38 +/- 0.89   0.037% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  14.25 +/- 2.28   0.003% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  16.28 +/- 1.42   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  20.17 +/- 1.40   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  17.46 +/- 0.87   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  23.73 +/- 0.88   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  20.47 +/- 1.64   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  24.78 +/- 1.15   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.44, residual support = 16.5:
          HN    GLN   17 - HN    GLY   16   2.38 +/- 0.10  99.978% * 86.2156% (0.13   3.44  16.50) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.77 +/- 0.75   0.004% *  3.6721% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  11.64 +/- 2.17   0.016% *  0.5717% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.28 +/- 1.52   0.001% *  2.5449% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  22.08 +/- 1.34   0.000% *  3.4201% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  26.10 +/- 0.88   0.000% *  3.5755% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 16.5:
        T HN    GLY   16 - HN    GLN   17   2.38 +/- 0.10 100.000% * 99.8536% (1.00 10.00   3.44  16.50) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.18 +/- 0.84   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  23.92 +/- 0.70   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.478, support = 2.07, residual support = 6.11:
      O   HA    GLU-  15 - HN    GLY   16   2.57 +/- 0.18  97.739% * 76.7295% (0.47  10.0   2.07   6.05) =  99.363%  kept
          HA    GLN   17 - HN    GLY   16   4.90 +/- 0.09   2.123% * 22.6334% (0.97   1.0   2.90  16.50) =   0.637%  kept
          HA    SER   13 - HN    GLY   16   8.48 +/- 0.65   0.097% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  13.59 +/- 2.24   0.008% *  0.1562% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  11.90 +/- 1.07   0.012% *  0.1083% (0.67   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  11.69 +/- 1.67   0.017% *  0.0487% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.26 +/- 1.04   0.003% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.06 +/- 0.55   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  22.82 +/- 1.32   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.738, support = 0.0199, residual support = 0.0199:
          HA    VAL   18 - HN    GLY   16   6.60 +/- 0.15  47.633% * 12.6997% (0.90   0.02   0.02) =  64.893%  kept
          HA    VAL   70 - HN    GLY   16   6.71 +/- 1.53  51.320% *  6.1679% (0.44   0.02   0.02) =  33.956%  kept
          HA    LYS+  33 - HN    GLY   16  14.10 +/- 2.53   0.597% * 10.5138% (0.75   0.02   0.02) =   0.673%  kept
          HA    GLU-  29 - HN    GLY   16  17.33 +/- 2.06   0.140% * 12.3380% (0.87   0.02   0.02) =   0.185%
          HA    GLN   32 - HN    GLY   16  17.01 +/- 2.33   0.163% *  9.4500% (0.67   0.02   0.02) =   0.165%
          HA    GLN  116 - HN    GLY   16  18.99 +/- 1.03   0.088% *  6.1679% (0.44   0.02   0.02) =   0.058%
          HA    SER   48 - HN    GLY   16  23.82 +/- 0.78   0.022% * 12.6997% (0.90   0.02   0.02) =   0.031%
          HB2   SER   82 - HN    GLY   16  25.70 +/- 1.14   0.013% * 13.2768% (0.94   0.02   0.02) =   0.019%
          HD2   PRO   52 - HN    GLY   16  25.25 +/- 0.73   0.015% *  6.6964% (0.47   0.02   0.02) =   0.011%
          HA    ALA   88 - HN    GLY   16  27.42 +/- 0.92   0.009% *  9.9899% (0.71   0.02   0.02) =   0.009%
    Distance limit 3.43 A violated in 20 structures by 2.24 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.977, support = 5.08, residual support = 82.0:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.02  59.799% * 95.5846% (0.99  10.0   5.17  84.34) =  97.254%  kept
          HA    GLU-  15 - HN    GLN   17   3.09 +/- 0.07  40.094% *  4.0257% (0.49   1.0   1.72   0.02) =   2.746%  kept
          HA    SER   13 - HN    GLN   17   9.03 +/- 0.67   0.073% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  11.92 +/- 0.81   0.013% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  15.30 +/- 1.79   0.004% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  12.88 +/- 1.30   0.009% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.72 +/- 1.04   0.006% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  17.44 +/- 0.62   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  21.31 +/- 1.25   0.000% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.3:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.34) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  22.85 +/- 3.38   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  21.47 +/- 1.71   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  21.59 +/- 1.25   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  22.18 +/- 1.37   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  30.26 +/- 1.19   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  31.67 +/- 1.88   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.65 +/- 0.77   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.3:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.34) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  18.42 +/- 1.56   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  22.27 +/- 2.72   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  22.85 +/- 3.38   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  29.41 +/- 2.17   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.243, support = 3.29, residual support = 18.1:
      O   HA1   GLY   16 - HN    GLN   17   3.22 +/- 0.04  91.412% * 63.1689% (0.22  10.0   3.26  16.50) =  95.313%  kept
          HA    VAL   18 - HN    GLN   17   4.84 +/- 0.11   8.003% * 35.4599% (0.65   1.0   3.86  50.08) =   4.684%  kept
          HA    VAL   70 - HN    GLN   17   8.15 +/- 1.28   0.533% *  0.2831% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    GLN   17  12.76 +/- 1.79   0.033% *  0.1493% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  15.08 +/- 1.94   0.012% *  0.2370% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.40 +/- 1.50   0.004% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  18.60 +/- 0.90   0.003% *  0.2831% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  24.74 +/- 0.99   0.000% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  21.92 +/- 0.91   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   3.32 +/- 0.74 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.61 A violated in 1 structures by 0.14 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.9, residual support = 22.4:
      O   HA    VAL   18 - HN    ILE   19   2.23 +/- 0.04  99.942% * 99.2246% (0.65  10.0   4.90  22.42) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.68 +/- 0.41   0.016% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.44 +/- 0.48   0.035% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  13.97 +/- 0.72   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  13.94 +/- 0.67   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.76 +/- 0.88   0.002% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  18.49 +/- 1.00   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.14 +/- 1.04   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.34 +/- 0.45   0.000% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.79, residual support = 175.4:
      O   HA    ILE   19 - HN    ILE   19   2.92 +/- 0.02  99.959% * 99.7071% (0.87  10.0   6.79 175.42) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.37 +/- 0.53   0.030% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.77 +/- 0.46   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.52 +/- 0.67   0.003% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.09 +/- 0.72   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.67 +/- 0.88   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.05, residual support = 25.4:
      O   HA    ILE   19 - HN    ALA   20   2.27 +/- 0.05  99.976% * 99.7374% (0.97  10.0   5.05  25.44) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.43 +/- 0.43   0.021% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.08 +/- 0.24   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  18.25 +/- 1.01   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.60 +/- 0.74   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.38 +/- 1.04   0.000% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.91 +/- 0.03  99.894% * 99.9455% (0.97  10.0   3.14  15.23) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.27 +/- 0.54   0.106% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.93, residual support = 10.1:
        T HN    LYS+  74 - HN    CYS   21   2.57 +/- 0.52  99.898% * 99.2410% (0.76 10.00   3.93  10.15) = 100.000%  kept
          HN    THR   46 - HN    CYS   21  10.06 +/- 0.43   0.044% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.04 +/- 0.50   0.051% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.14 +/- 0.56   0.001% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  19.23 +/- 0.64   0.001% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  16.84 +/- 0.67   0.002% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  17.97 +/- 1.06   0.002% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  21.48 +/- 2.69   0.001% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  24.12 +/- 0.82   0.000% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  32.53 +/- 1.97   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.3:
      O   HA    ALA   20 - HN    CYS   21   2.24 +/- 0.01  99.985% * 99.8901% (0.95  10.0   2.86  14.27) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.05 +/- 0.55   0.013% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  19.24 +/- 1.47   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.18 +/- 1.01   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  17.66 +/- 0.89   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.52 +/- 0.65   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.77 +/- 0.03  99.991% * 99.8043% (0.83  10.0   3.84  41.02) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.68 +/- 0.91   0.008% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  19.82 +/- 1.37   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  25.10 +/- 0.60   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.56:
          HA    PHE   59 - HN    ASP-  62   3.48 +/- 0.24  98.844% * 92.4913% (0.52   1.50   6.56) =  99.984%  kept
          HA    ILE   56 - HN    ASP-  62   7.55 +/- 0.47   1.066% *  1.2332% (0.52   0.02   0.02) =   0.014%
          HA    ASP- 113 - HN    ASP-  62  14.03 +/- 0.87   0.027% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP-  62  12.45 +/- 0.86   0.053% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  17.53 +/- 0.74   0.007% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.39 +/- 0.79   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  21.34 +/- 0.64   0.002% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.02 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.45, residual support = 21.3:
          HN    THR   23 - HN    HIS   22   3.71 +/- 0.03  98.922% * 97.3668% (0.69   3.45  21.28) =  99.991%  kept
          HE3   TRP   27 - HN    HIS   22   8.15 +/- 0.64   0.988% *  0.8196% (1.00   0.02   0.02) =   0.008%
          QE    PHE   95 - HN    HIS   22  15.38 +/- 1.34   0.022% *  0.5965% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  12.94 +/- 0.65   0.059% *  0.1439% (0.18   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  18.52 +/- 0.60   0.007% *  0.2535% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  22.95 +/- 1.60   0.002% *  0.8196% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 4.72:
          HA    ALA   20 - HN    HIS   22   4.85 +/- 0.12  99.647% * 62.6587% (0.95   0.02   4.73) =  99.915%  kept
          HA    LEU   71 - HN    HIS   22  12.61 +/- 0.75   0.340% * 14.7469% (0.22   0.02   0.02) =   0.080%
          HA    LYS+ 102 - HN    HIS   22  21.82 +/- 1.73   0.013% * 22.5944% (0.34   0.02   0.02) =   0.005%
    Distance limit 3.83 A violated in 16 structures by 1.02 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.684, support = 3.59, residual support = 12.9:
        T HN    THR   26 - HN    THR   23   4.56 +/- 0.07  86.177% * 94.6106% (0.69 10.00   3.60  12.98) =  99.120%  kept
          HN    LEU   80 - HN    THR   23   6.29 +/- 0.47  13.714% *  5.2771% (0.34  1.00   2.25   5.86) =   0.880%  kept
          HN    ALA   34 - HN    THR   23  14.34 +/- 0.22   0.089% *  0.0343% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  18.78 +/- 1.09   0.019% *  0.0780% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.14 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.45, residual support = 21.3:
        T HN    HIS   22 - HN    THR   23   3.71 +/- 0.03  88.615% * 99.9047% (0.99 10.00   3.45  21.28) =  99.988%  kept
          HN    ASP-  76 - HN    THR   23   5.39 +/- 0.54  11.385% *  0.0953% (0.95  1.00   0.02   0.02) =   0.012%
    Distance limit 3.44 A violated in 0 structures by 0.27 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.94, residual support = 34.8:
        T HN    GLU-  25 - HN    VAL   24   2.66 +/- 0.12  98.924% * 99.8571% (0.98 10.00   7.94  34.80) = 100.000%  kept
          HN    ASN   28 - HN    VAL   24   5.80 +/- 0.27   1.048% *  0.0419% (0.41  1.00   0.02  12.24) =   0.000%
          HN    ASP-  44 - HN    VAL   24  11.45 +/- 1.37   0.028% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.94, residual support = 34.8:
        T HN    VAL   24 - HN    GLU-  25   2.66 +/- 0.12 100.000% *100.0000% (1.00 10.00   7.94  34.80) = 100.000%  kept
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.3, residual support = 29.5:
        T HN    THR   26 - HN    GLU-  25   3.01 +/- 0.05  99.997% * 99.9840% (0.97 10.00   5.30  29.46) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.73 +/- 0.85   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.976, support = 5.29, residual support = 29.2:
        T HN    GLU-  25 - HN    THR   26   3.01 +/- 0.05  88.993% * 94.1370% (0.98 10.00   5.30  29.46) =  99.249%  kept
          HN    ASN   28 - HN    THR   26   4.26 +/- 0.10  10.987% *  5.7678% (0.41  1.00   2.92   0.02) =   0.751%  kept
          HN    ASP-  44 - HN    THR   26  12.37 +/- 0.79   0.020% *  0.0952% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.48, residual support = 22.5:
          HN    TRP   27 - HN    THR   26   2.52 +/- 0.09  99.991% * 98.4636% (0.99   4.48  22.52) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  13.90 +/- 0.34   0.004% *  0.2690% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.16 +/- 0.37   0.001% *  0.2869% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.20 +/- 0.27   0.002% *  0.1106% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  16.50 +/- 0.53   0.001% *  0.1664% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  19.83 +/- 1.49   0.000% *  0.3046% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  20.52 +/- 0.90   0.000% *  0.3389% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  19.80 +/- 1.27   0.000% *  0.0600% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.927, support = 3.49, residual support = 12.8:
          HN    THR   23 - HN    THR   26   4.56 +/- 0.07  73.481% * 61.0668% (0.97   3.60  12.98) =  92.348%  kept
          HD2   HIS   22 - HN    THR   26   5.91 +/- 1.14  20.239% *  9.8661% (0.45   1.25   0.11) =   4.109%  kept
          HE3   TRP   27 - HN    THR   26   6.93 +/- 0.37   6.158% * 27.9511% (0.49   3.27  22.52) =   3.542%  kept
          QE    PHE   95 - HN    THR   26  16.85 +/- 1.33   0.032% *  0.3323% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  14.59 +/- 0.85   0.073% *  0.0475% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  21.16 +/- 0.65   0.008% *  0.3242% (0.92   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  21.68 +/- 1.14   0.007% *  0.2130% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  25.00 +/- 1.35   0.003% *  0.1989% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.905, support = 4.69, residual support = 75.6:
          HE3   TRP   27 - HN    TRP   27   4.76 +/- 0.20  48.336% * 70.5067% (1.00   5.34 107.49) =  70.089%  kept
          HN    THR   23 - HN    TRP   27   4.73 +/- 0.18  50.530% * 28.7811% (0.69   3.16   0.93) =  29.910%  kept
          HN    LYS+  81 - HN    TRP   27  10.91 +/- 0.69   0.375% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.01 +/- 1.32   0.056% *  0.1924% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  11.31 +/- 1.62   0.373% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  13.81 +/- 1.11   0.095% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  15.67 +/- 1.31   0.045% *  0.0327% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.52 +/- 1.25   0.003% *  0.2643% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  19.37 +/- 0.74   0.011% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.61 +/- 0.89   0.153% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  17.78 +/- 0.94   0.018% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  23.68 +/- 0.99   0.003% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.22 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.48, residual support = 22.5:
        T HN    THR   26 - HN    TRP   27   2.52 +/- 0.09  99.996% * 99.8587% (0.97 10.00   4.48  22.52) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  13.84 +/- 0.79   0.004% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  20.52 +/- 0.90   0.000% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.54 +/- 0.82   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.2:
        T HN    GLN   90 - HN    ALA   91   2.46 +/- 0.49  99.784% * 91.0962% (0.12 10.00   6.75  32.16) = 100.000%  kept
        T HN    GLN   90 - HN    TRP   27  16.79 +/- 1.16   0.002% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91   7.84 +/- 1.50   0.174% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.80 +/- 0.73   0.025% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  17.92 +/- 1.79   0.002% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.80 +/- 0.83   0.012% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.78 +/- 0.47   0.000% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  19.51 +/- 1.83   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 4.97, residual support = 47.5:
        T HN    ASN   28 - HN    TRP   27   2.74 +/- 0.09  90.087% * 95.0922% (0.99 10.00   4.99  47.74) =  99.463%  kept
          HN    GLU-  25 - HN    TRP   27   3.97 +/- 0.11   9.869% *  4.6891% (0.38  1.00   2.60   0.16) =   0.537%  kept
          HN    ASP-  44 - HN    TRP   27  10.27 +/- 0.72   0.036% *  0.0394% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  19.64 +/- 0.78   0.001% *  0.1175% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.50 +/- 0.56   0.007% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  19.80 +/- 0.85   0.001% *  0.0467% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  19.19 +/- 1.09   0.001% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  27.38 +/- 1.07   0.000% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.37, residual support = 107.5:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.937% * 99.6433% (0.76  10.0   2.37 107.49) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27   9.85 +/- 1.57   0.061% *  0.1292% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  16.62 +/- 1.85   0.002% *  0.0996% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  23.56 +/- 2.24   0.000% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.65, residual support = 107.5:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.993% * 99.8682% (0.45  10.0   1.65 107.49) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  14.91 +/- 1.73   0.007% *  0.1318% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.966, support = 4.83, residual support = 32.5:
          HN    GLU-  29 - HN    ASN   28   2.76 +/- 0.14  85.511% * 66.5242% (0.98   4.98  34.58) =  92.231%  kept
          HN    GLN   30 - HN    ASN   28   3.73 +/- 0.07  14.474% * 33.1051% (0.80   3.04   8.10) =   7.769%  kept
          HN    ASP-  86 - HN    ASN   28  12.42 +/- 0.82   0.011% *  0.2363% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.50 +/- 0.49   0.002% *  0.0369% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.26 +/- 1.50   0.001% *  0.0606% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.85 +/- 2.05   0.001% *  0.0369% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.99, residual support = 47.7:
          HN    TRP   27 - HN    ASN   28   2.74 +/- 0.09  99.956% * 98.6177% (0.99   4.99  47.74) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  11.93 +/- 0.43   0.016% *  0.2420% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  13.45 +/- 0.79   0.008% *  0.1497% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.56 +/- 0.42   0.005% *  0.2581% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.51 +/- 0.21   0.011% *  0.0995% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  19.64 +/- 0.78   0.001% *  0.3049% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  19.92 +/- 1.37   0.001% *  0.2741% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  16.03 +/- 1.30   0.003% *  0.0540% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.07, residual support = 47.7:
          HD1   TRP   27 - HN    ASN   28   3.66 +/- 0.58  99.333% * 98.0253% (0.41   5.07  47.74) =  99.995%  kept
          HE21  GLN   30 - HN    ASN   28   8.75 +/- 0.59   0.658% *  0.7191% (0.76   0.02   8.10) =   0.005%
          QD    PHE   59 - HN    ASN   28  19.48 +/- 1.77   0.007% *  0.3869% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  26.09 +/- 1.99   0.001% *  0.8687% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.07 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.43, residual support = 94.5:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.43  94.49) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  15.13 +/- 1.17   0.000% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 2.69:
          HA    GLU-  25 - HD21  ASN   28   4.72 +/- 0.19  99.026% * 96.5836% (1.00   1.27   2.69) =  99.990%  kept
          HA    SER   82 - HD21  ASN   28  10.89 +/- 1.15   0.787% *  0.8642% (0.57   0.02   0.02) =   0.007%
          HA    ILE   19 - HD21  ASN   28  13.72 +/- 0.44   0.176% *  1.4439% (0.95   0.02   0.02) =   0.003%
          HA    CYS   53 - HD21  ASN   28  21.61 +/- 0.85   0.011% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.45 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 5.69, residual support = 93.5:
      O   HA    ASN   28 - HN    ASN   28   2.77 +/- 0.04  93.498% * 85.9749% (0.84  10.0   5.71  94.49) =  98.917%  kept
          HA    THR   26 - HN    ASN   28   4.34 +/- 0.14   6.477% * 13.5817% (0.65   1.0   4.08   0.02) =   1.083%  kept
          HA    ALA   34 - HN    ASN   28  11.89 +/- 0.21   0.015% *  0.0993% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  13.73 +/- 1.84   0.009% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.42 +/- 0.82   0.000% *  0.0893% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  27.01 +/- 1.15   0.000% *  0.0974% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.34 +/- 1.11   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.72 +/- 1.50   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.905, support = 5.15, residual support = 100.9:
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.03  57.744% * 90.4766% (0.97  10.0   5.35 107.49) =  93.026%  kept
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.03  42.228% *  9.2758% (0.10  10.0   2.46  12.86) =   6.974%  kept
          HA    PRO   52 - HN    ALA   91  11.85 +/- 1.15   0.011% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  12.47 +/- 1.60   0.010% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  20.61 +/- 0.85   0.000% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.60 +/- 0.49   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  13.96 +/- 1.68   0.006% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.77 +/- 0.78   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.88 +/- 0.86   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.86 +/- 0.53   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.48, residual support = 22.5:
          HB    THR   26 - HN    TRP   27   2.97 +/- 0.14  99.957% * 99.0103% (0.99   4.48  22.52) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  12.68 +/- 0.81   0.018% *  0.0781% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  21.17 +/- 1.27   0.001% *  0.4303% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.39 +/- 0.83   0.022% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  27.58 +/- 0.62   0.000% *  0.3238% (0.73   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  20.60 +/- 0.75   0.001% *  0.0546% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  21.35 +/- 1.85   0.001% *  0.0400% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  21.83 +/- 0.81   0.001% *  0.0532% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  23.66 +/- 0.62 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.30 A violated in 20 structures by 19.36 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.224, support = 4.35, residual support = 34.6:
      O   HB    THR   26 - HN    THR   26   2.23 +/- 0.14  94.761% * 21.3631% (0.15  10.0   4.16  35.64) =  83.160%  kept
      O   HA    GLU-  25 - HN    THR   26   3.64 +/- 0.00   5.230% * 78.3875% (0.57  10.0   5.25  29.46) =  16.840%  kept
          HA    SER   82 - HN    THR   26  13.34 +/- 0.71   0.002% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.17 +/- 0.29   0.007% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  22.78 +/- 1.34   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.11 +/- 0.92   0.000% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.721, support = 3.16, residual support = 6.37:
          HB    THR   23 - HN    GLU-  25   3.98 +/- 0.47  64.420% * 39.2660% (0.53   3.43   6.37) =  57.027%  kept
          HA    THR   23 - HN    GLU-  25   4.48 +/- 0.26  31.802% * 59.9026% (0.98   2.81   6.37) =  42.948%  kept
          HA    LEU   80 - HN    GLU-  25   6.66 +/- 0.63   3.717% *  0.2989% (0.69   0.02   0.02) =   0.025%
          HA    ASP-  78 - HN    GLU-  25  13.04 +/- 0.72   0.059% *  0.4116% (0.95   0.02   0.02) =   0.001%
          HA    ASP- 105 - HN    GLU-  25  23.79 +/- 0.97   0.002% *  0.1210% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.27 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.87, residual support = 127.9:
      O   HA    GLU-  25 - HN    GLU-  25   2.69 +/- 0.02  99.966% * 99.7793% (0.87  10.0   5.87 127.88) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  10.73 +/- 0.73   0.027% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.60 +/- 0.23   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  22.10 +/- 1.03   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.711, support = 5.38, residual support = 25.8:
      O   HA    THR   23 - HN    VAL   24   2.68 +/- 0.21  68.426% * 92.2500% (0.73  10.0   5.38  25.83) =  96.896%  kept
          HB    THR   23 - HN    VAL   24   3.27 +/- 0.54  26.715% *  7.5618% (0.22   1.0   5.35  25.83) =   3.101%  kept
          HA    LEU   80 - HN    VAL   24   4.52 +/- 0.65   4.820% *  0.0433% (0.34   1.0   0.02  11.11) =   0.003%
          HA    ASP-  78 - HN    VAL   24  10.72 +/- 0.60   0.019% *  0.1226% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  10.84 +/- 1.13   0.020% *  0.0222% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.657, support = 3.15, residual support = 19.0:
      O   HA    THR   23 - HN    THR   23   2.31 +/- 0.18  91.666% * 37.7551% (0.61  10.0   3.04  19.04) =  87.133%  kept
      O   HB    THR   23 - HN    THR   23   3.54 +/- 0.31   8.228% * 62.1094% (1.00  10.0   3.94  19.04) =  12.866%  kept
          HA    LEU   80 - HN    THR   23   7.47 +/- 0.64   0.098% *  0.0589% (0.95   1.0   0.02   5.86) =   0.000%
          HA    ASP-  78 - HN    THR   23  11.28 +/- 0.43   0.007% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.74 +/- 0.75   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.723, support = 0.0199, residual support = 0.34:
          HA    ALA   20 - HN    THR   23   5.50 +/- 0.19  99.644% * 46.5057% (0.73   0.02   0.34) =  99.591%  kept
          HA    LEU   71 - HN    THR   23  14.12 +/- 0.64   0.356% * 53.4943% (0.84   0.02   0.02) =   0.409%
    Distance limit 3.86 A violated in 20 structures by 1.63 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.59, residual support = 13.0:
          HB    THR   26 - HN    THR   23   3.78 +/- 0.12  99.928% * 98.5651% (0.99   2.59  12.98) = 100.000%  kept
          HA    SER   82 - HN    THR   23  12.93 +/- 0.68   0.066% *  0.1346% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  19.97 +/- 1.41   0.005% *  0.7420% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  27.80 +/- 1.01   0.001% *  0.5583% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.18 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.43, residual support = 94.5:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.954% * 99.7763% (0.98  10.0   2.43  94.49) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   6.51 +/- 0.75   0.046% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.19 +/- 1.24   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  20.54 +/- 0.96   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.49 +/- 0.93   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.98, residual support = 34.6:
        T HN    ASN   28 - HN    GLU-  29   2.76 +/- 0.14  99.043% * 99.7796% (0.76 10.00   4.98  34.58) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.02 +/- 0.21   0.948% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  13.33 +/- 0.70   0.009% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.39 +/- 0.70   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 6.95, residual support = 50.0:
        T HN    LEU   31 - HN    GLN   30   2.51 +/- 0.09  99.989% * 98.4622% (0.73 10.00   6.95  50.02) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  26.42 +/- 0.82   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  18.06 +/- 1.00   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.29 +/- 0.72   0.008% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.64 +/- 1.14   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  17.71 +/- 1.26   0.001% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.49 +/- 0.85   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.41 +/- 0.62   0.001% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.76 +/- 0.56   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.28 +/- 0.52   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.88, residual support = 45.6:
        T HN    LEU   31 - HN    GLN   32   2.70 +/- 0.09  99.918% * 99.0995% (0.98 10.00   5.88  45.63) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.90 +/- 0.15   0.080% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  28.89 +/- 0.62   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.57 +/- 0.97   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  19.24 +/- 1.30   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  28.20 +/- 0.65   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.1:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.10) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  22.72 +/- 3.25   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  28.15 +/- 2.54   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.56 +/- 0.82   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  34.61 +/- 1.32   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 44.1:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.962% * 98.9152% (0.83  10.0 10.00   1.00  44.10) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   8.71 +/- 2.91   0.037% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  17.68 +/- 2.73   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  20.61 +/- 1.58   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.71 +/- 1.47   0.000% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  22.72 +/- 3.25   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  28.15 +/- 2.54   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.04 +/- 1.40   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  26.99 +/- 0.90   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  20.42 +/- 1.41   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  23.91 +/- 1.22   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  33.23 +/- 1.32   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  23.81 +/- 1.77   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  32.72 +/- 0.91   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  25.30 +/- 1.78   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 51.9:
          HN    GLU-  36 - HN    ASN   35   2.34 +/- 0.03  99.249% * 98.7867% (0.90   5.88  51.93) =  99.997%  kept
          HN    THR   39 - HN    ASN   35   5.33 +/- 0.24   0.731% *  0.3618% (0.97   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HN    ASN   35  10.55 +/- 1.21   0.015% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.40 +/- 0.24   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  18.41 +/- 0.77   0.000% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  26.31 +/- 0.79   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 55.5:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.47) = 100.000%  kept
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 55.5:
      O   HA    ASN   35 - HN    ASN   35   2.84 +/- 0.01  99.786% * 99.5029% (0.98  10.0   4.55  55.47) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   9.51 +/- 0.54   0.077% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.70 +/- 0.31   0.125% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  14.30 +/- 1.94   0.009% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.43 +/- 2.07   0.003% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  22.42 +/- 1.78   0.000% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.12 +/- 0.90   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  25.63 +/- 1.31   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  30.34 +/- 0.67   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.46, residual support = 154.9:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.916% * 99.6989% (0.90  10.0   2.46 154.87) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   7.40 +/- 2.20   0.084% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  16.40 +/- 1.54   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  26.88 +/- 2.00   0.000% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.46, residual support = 154.9:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.8775% (0.92  10.0 10.00   2.46 154.87) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  13.58 +/- 1.12   0.000% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.37 +/- 1.03   0.000% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.185, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    LYS+  99   7.15 +/- 0.44  93.816% *  0.4257% (0.02   0.02   0.02) =  53.706%  kept
          HA    VAL   42 - HN    GLN   30  12.32 +/- 0.50   3.840% *  6.4793% (0.25   0.02   0.02) =  33.456%  kept
          HA    GLN   90 - HN    GLN   30  20.77 +/- 1.24   0.185% * 25.0767% (0.97   0.02   0.02) =   6.224%  kept
          HA    ALA  110 - HN    GLN   30  25.06 +/- 1.20   0.056% * 25.9267% (1.00   0.02   0.02) =   1.963%  kept
          HA    VAL  107 - HN    GLN   30  22.50 +/- 0.52   0.104% *  8.8635% (0.34   0.02   0.02) =   1.244%  kept
          HA    VAL  107 - HN    LYS+  99  14.39 +/- 0.38   1.459% *  0.5823% (0.02   0.02   0.02) =   1.143%  kept
          HA    PHE   55 - HN    GLN   30  27.81 +/- 0.94   0.029% * 21.7040% (0.84   0.02   0.02) =   0.840%  kept
          HA    ALA   91 - HN    GLN   30  23.85 +/- 0.96   0.078% *  5.7850% (0.22   0.02   0.02) =   0.608%  kept
          HA    ALA  110 - HN    LYS+  99  20.34 +/- 0.81   0.187% *  1.7034% (0.07   0.02   0.02) =   0.428%
          HA    GLN   90 - HN    LYS+  99  22.12 +/- 0.94   0.114% *  1.6475% (0.06   0.02   0.02) =   0.254%
          HA    PHE   55 - HN    LYS+  99  25.44 +/- 0.73   0.048% *  1.4259% (0.05   0.02   0.02) =   0.091%
          HA    ALA   91 - HN    LYS+  99  23.26 +/- 0.74   0.084% *  0.3801% (0.01   0.02   0.02) =   0.043%
    Distance limit 4.19 A violated in 20 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.823, support = 4.64, residual support = 38.9:
          HN    ALA   34 - HN    LYS+  33   2.45 +/- 0.05  67.926% * 79.2996% (0.90   4.57  42.27) =  89.385%  kept
          HN    GLN   32 - HN    LYS+  33   2.78 +/- 0.03  32.074% * 19.9433% (0.20   5.21  10.96) =  10.615%  kept
          HN    LEU   80 - HN    LYS+  33  17.86 +/- 0.61   0.000% *  0.3735% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  27.81 +/- 0.80   0.000% *  0.3836% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 55.5:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.47) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  18.72 +/- 1.95   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.58 +/- 1.34   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  19.54 +/- 2.49   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  21.18 +/- 0.98   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  31.05 +/- 1.83   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.88, residual support = 51.9:
        T HN    ASN   35 - HN    GLU-  36   2.34 +/- 0.03  99.995% * 99.7986% (0.99 10.00   5.88  51.93) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.54 +/- 0.67   0.004% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  18.27 +/- 2.54   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.312, support = 3.7, residual support = 16.5:
          HN    GLU-  36 - HN    SER   37   2.41 +/- 0.04  88.615% * 39.6080% (0.25   3.97  19.09) =  84.282%  kept
          HN    THR   39 - HN    SER   37   3.41 +/- 0.10  11.375% * 57.5457% (0.65   2.22   2.45) =  15.718%  kept
          HN    TRP   27 - HN    SER   37  15.10 +/- 0.23   0.001% *  0.7926% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  11.76 +/- 1.25   0.008% *  0.1082% (0.14   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  19.89 +/- 1.51   0.000% *  0.3001% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  21.32 +/- 0.78   0.000% *  0.4850% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  22.85 +/- 0.98   0.000% *  0.5493% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  28.88 +/- 0.80   0.000% *  0.6111% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.934, support = 5.2, residual support = 22.2:
          HN    THR   39 - HN    LYS+  38   2.67 +/- 0.09  85.406% * 83.2266% (0.95   5.32  22.87) =  96.867%  kept
          HN    GLU-  36 - HN    LYS+  38   3.60 +/- 0.04  14.554% * 15.7971% (0.57   1.69   0.63) =   3.133%  kept
          HN    LYS+ 102 - HN    LYS+  38  10.25 +/- 1.24   0.037% *  0.1242% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  15.89 +/- 0.27   0.002% *  0.2529% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  21.04 +/- 0.79   0.000% *  0.3055% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  19.23 +/- 1.52   0.001% *  0.0448% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  22.74 +/- 0.90   0.000% *  0.1129% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  28.52 +/- 0.82   0.000% *  0.1360% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.67, residual support = 51.2:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.01  87.760% * 83.8757% (0.38  10.0   4.70  51.93) =  97.663%  kept
          HA    SER   37 - HN    GLU-  36   4.99 +/- 0.04  11.888% * 14.8131% (0.38   1.0   3.53  19.09) =   2.336%  kept
          HA    LEU   40 - HN    GLU-  36   9.99 +/- 0.20   0.187% *  0.2235% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  10.97 +/- 0.59   0.114% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  14.49 +/- 1.99   0.029% *  0.2114% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  16.83 +/- 2.32   0.014% *  0.2114% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.59 +/- 1.62   0.005% *  0.0839% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  23.34 +/- 1.86   0.001% *  0.1176% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  27.05 +/- 1.26   0.000% *  0.2157% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  25.28 +/- 0.56   0.001% *  0.1002% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.86 +/- 0.81   0.000% *  0.0919% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.06, residual support = 86.8:
      O   HA    GLU-  36 - HN    GLU-  36   2.84 +/- 0.01  99.999% * 99.7892% (0.69  10.0   6.06  86.78) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.89 +/- 0.81   0.000% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  24.77 +/- 0.73   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  23.92 +/- 2.17   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.06, residual support = 26.3:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.812% * 99.4774% (0.97  10.0   4.06  26.27) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.62 +/- 0.10   0.150% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.28 +/- 1.92   0.017% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  15.61 +/- 2.24   0.007% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.56 +/- 0.19   0.010% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.42 +/- 1.66   0.003% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.23 +/- 0.40   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.07 +/- 1.13   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.1:
      O   HA    GLU-  36 - HN    SER   37   3.45 +/- 0.01  99.997% * 99.6452% (0.34  10.0   4.29  19.09) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  20.12 +/- 0.86   0.003% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  25.78 +/- 0.78   0.001% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.79, residual support = 12.8:
      O   HA    SER   37 - HN    LYS+  38   3.43 +/- 0.01  98.980% * 99.2058% (0.73  10.0   4.79  12.81) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.46 +/- 0.09   0.934% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  13.99 +/- 1.83   0.030% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  16.67 +/- 2.13   0.011% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.94 +/- 0.14   0.034% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  17.76 +/- 1.62   0.006% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.49 +/- 1.96   0.003% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.95 +/- 1.04   0.001% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.18 +/- 0.33   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  27.67 +/- 0.83   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   4.21 +/- 0.03  99.979% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    ALA  124 - HN    LYS+  38  20.72 +/- 2.28   0.009% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  66 - HN    LYS+  38  19.78 +/- 0.86   0.010% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  25.97 +/- 0.76   0.002% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  30.61 +/- 0.79   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 38.4:
      O   HA    THR   39 - HN    THR   39   2.86 +/- 0.02  99.981% * 99.4345% (1.00  10.0   3.75  38.37) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.87 +/- 0.62   0.013% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  18.41 +/- 2.80   0.003% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.05 +/- 0.18   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.68 +/- 0.79   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.69 +/- 0.66   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  25.71 +/- 1.03   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.77 +/- 0.71   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.73 +/- 0.38   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 23.7:
      O   HA    THR   39 - HN    LEU   40   2.29 +/- 0.02  99.988% * 99.4345% (1.00  10.0   4.04  23.70) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.80 +/- 0.70   0.010% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.59 +/- 0.26   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  19.89 +/- 2.53   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.59 +/- 0.84   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.69 +/- 0.67   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.59 +/- 0.57   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  25.04 +/- 0.86   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  30.06 +/- 0.45   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 101.9:
      O   HA    LEU   40 - HN    LEU   40   2.80 +/- 0.01  95.450% * 99.4414% (1.00  10.0   5.12 101.91) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   4.86 +/- 0.55   4.236% *  0.0248% (0.25   1.0   0.02  13.07) =   0.001%
          HA    SER   37 - HN    LEU   40   8.35 +/- 0.13   0.135% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU   40   8.64 +/- 0.27   0.112% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.08 +/- 1.42   0.036% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  13.58 +/- 1.94   0.011% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.08 +/- 1.54   0.013% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  15.46 +/- 1.49   0.004% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  20.08 +/- 0.91   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.18 +/- 0.32   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.79 +/- 0.98   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.51, residual support = 73.8:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  99.990% * 99.4222% (0.22  10.0   4.51  73.84) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.62 +/- 0.30   0.007% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  17.25 +/- 1.16   0.003% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  23.47 +/- 0.51   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 0.995, support = 4.99, residual support = 18.8:
      O   HA    LEU   40 - HN    VAL   41   2.24 +/- 0.03  78.189% * 96.9478% (1.00  10.0   5.01  18.90) =  99.278%  kept
          HA    LYS+  99 - HN    VAL   41   2.89 +/- 0.41  21.770% *  2.5318% (0.25   1.0   2.09   0.02) =   0.722%  kept
          HA    ASN   35 - HN    VAL   41   8.37 +/- 0.28   0.029% *  0.0364% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  12.87 +/- 1.28   0.003% *  0.0917% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.93 +/- 0.28   0.006% *  0.0364% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  14.79 +/- 1.88   0.001% *  0.0510% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  13.82 +/- 1.23   0.002% *  0.0364% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.13 +/- 1.18   0.000% *  0.0917% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.11 +/- 0.95   0.000% *  0.0936% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  18.09 +/- 0.26   0.000% *  0.0435% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.85 +/- 0.94   0.000% *  0.0399% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.87, residual support = 24.1:
        T HN    LEU   98 - HN    VAL   41   3.75 +/- 0.48 100.000% *100.0000% (0.97 10.00   4.87  24.13) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.26, residual support = 4.69:
          HA    PHE   72 - HN    VAL   42   2.70 +/- 0.49 100.000% *100.0000% (0.22   1.26   4.69) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.2, residual support = 24.2:
      O   HA    VAL   41 - HN    VAL   42   2.20 +/- 0.03  99.993% * 99.4222% (0.22  10.0   5.20  24.20) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.24 +/- 0.15   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  14.33 +/- 1.23   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.33 +/- 0.34   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 88.5:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.915% * 99.6568% (0.87  10.0   5.46  88.48) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  10.40 +/- 1.01   0.061% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.06 +/- 0.23   0.013% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.55 +/- 0.17   0.007% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  17.77 +/- 1.39   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  19.23 +/- 0.74   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.81 +/- 0.66   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.06, residual support = 38.9:
      O   HA    VAL   42 - HN    VAL   43   2.20 +/- 0.02  99.990% * 99.7026% (1.00  10.0   5.06  38.91) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.71 +/- 0.10   0.004% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  12.89 +/- 0.65   0.003% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.43 +/- 1.25   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.76 +/- 0.41   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  15.50 +/- 0.60   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  18.59 +/- 0.62   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 2.76, residual support = 6.01:
          HA    LYS+  74 - HN    ASP-  44   3.38 +/- 0.35  99.463% * 96.0180% (0.28   2.76   6.01) =  99.997%  kept
          HA    VAL   41 - HN    ASP-  44   8.36 +/- 0.17   0.496% *  0.4952% (0.20   0.02   0.02) =   0.003%
          HA    MET   92 - HN    ASP-  44  13.53 +/- 0.83   0.029% *  2.1704% (0.87   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    ASP-  44  15.79 +/- 0.87   0.013% *  1.3164% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.3:
      O   HA    VAL   43 - HN    ASP-  44   2.20 +/- 0.02  99.982% * 99.8182% (0.87  10.0   3.71  15.26) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.92 +/- 0.29   0.012% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  11.82 +/- 0.80   0.005% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.49 +/- 0.43   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.77, residual support = 37.8:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.925% * 98.9185% (0.49  10.0   3.77  37.82) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.68 +/- 0.51   0.025% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  11.82 +/- 1.27   0.026% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  14.25 +/- 0.41   0.007% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.49 +/- 0.53   0.007% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.18 +/- 1.03   0.003% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  14.77 +/- 0.44   0.006% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  22.47 +/- 1.52   0.001% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.03 +/- 1.98   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.1:
        T HN    THR   94 - HN    PHE   45   3.76 +/- 0.33  99.843% * 99.8815% (0.84 10.00   3.30  27.06) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  11.24 +/- 0.49   0.157% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.02 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.62, residual support = 80.5:
          QD    PHE   45 - HN    PHE   45   1.93 +/- 0.29  99.998% * 98.5418% (0.53   5.62  80.51) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  12.87 +/- 0.76   0.002% *  0.6429% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.58 +/- 1.47   0.000% *  0.6301% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  17.67 +/- 1.11   0.000% *  0.1852% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.40 +/- 0.37 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.01, residual support = 80.5:
      O   HA    PHE   45 - HN    PHE   45   2.93 +/- 0.00  99.961% * 99.9134% (0.99  10.0   4.01  80.51) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.20 +/- 0.13   0.019% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.67 +/- 0.59   0.016% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  16.92 +/- 0.83   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.2:
      O   HA    ASP-  44 - HN    PHE   45   2.29 +/- 0.01  99.909% * 99.3093% (1.00  10.0   4.04  19.20) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   9.21 +/- 0.60   0.026% *  0.0984% (0.99   1.0   0.02   8.41) =   0.000%
          HA    ALA   57 - HN    PHE   45   8.36 +/- 0.87   0.052% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  12.94 +/- 0.52   0.003% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.17 +/- 1.19   0.003% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.87 +/- 0.49   0.002% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.67 +/- 0.40   0.002% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.02 +/- 0.41   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.69 +/- 0.21   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  20.82 +/- 0.91   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  28.96 +/- 1.89   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  26.30 +/- 1.45   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.42, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.50 +/- 0.08  99.613% * 94.4418% (0.22   4.42  12.49) =  99.998%  kept
          HE22  GLN   90 - HN    THR   46  12.82 +/- 1.93   0.305% *  0.2963% (0.15   0.02   0.02) =   0.001%
          HD2   HIS  122 - HN    THR   46  17.11 +/- 0.82   0.035% *  1.8165% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    THR   46  17.77 +/- 1.28   0.030% *  1.1647% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.81 +/- 1.87   0.012% *  1.8532% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  23.89 +/- 0.93   0.005% *  0.4275% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.08 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.97:
          HA    ASP-  76 - HN    THR   46   3.69 +/- 0.77  99.984% * 98.8092% (0.53   2.74   3.97) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.19 +/- 1.35   0.016% *  1.1908% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 2 structures by 0.23 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.97, residual support = 12.5:
      O   HA    PHE   45 - HN    THR   46   2.31 +/- 0.02  99.939% * 99.9017% (0.76  10.0   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.62 +/- 0.67   0.042% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  10.11 +/- 1.10   0.018% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  15.19 +/- 0.19   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.95 +/- 0.00  99.567% * 99.4016% (0.57  10.0   3.25  34.52) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   8.09 +/- 1.51   0.375% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.51 +/- 0.09   0.017% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  11.96 +/- 1.52   0.026% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.95 +/- 0.55   0.009% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.61 +/- 0.90   0.005% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.49 +/- 0.45   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.28, residual support = 11.4:
          HN    THR   77 - HN    THR   46   3.54 +/- 0.60 100.000% *100.0000% (1.00   3.28  11.41) = 100.000%  kept
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.893, support = 2.33, residual support = 10.9:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.01  59.474% * 96.8065% (0.90  10.0   2.36  10.96) =  97.990%  kept
          HA    CYS   50 - HN    ALA   47   3.15 +/- 0.25  40.172% *  2.9393% (0.73   1.0   0.75   7.12) =   2.010%  kept
          HA    TRP   49 - HN    ALA   47   6.99 +/- 0.20   0.323% *  0.0568% (0.53   1.0   0.02  14.94) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.43 +/- 0.87   0.019% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  13.16 +/- 1.21   0.009% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  16.16 +/- 0.71   0.002% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 12.7:
      O   HA    THR   46 - HN    ALA   47   2.56 +/- 0.06  99.819% * 99.4016% (0.57  10.0   3.07  12.68) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   8.49 +/- 1.82   0.137% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  10.98 +/- 0.48   0.017% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  10.67 +/- 1.67   0.024% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.96 +/- 0.11   0.002% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  17.46 +/- 1.09   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  29.40 +/- 0.42   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.834, support = 4.29, residual support = 14.8:
        T HN    TRP   49 - HN    SER   48   2.62 +/- 0.08  89.502% * 94.3890% (0.84 10.00   4.31  14.86) =  99.316%  kept
          HN    CYS   50 - HN    SER   48   3.76 +/- 0.17  10.492% *  5.5421% (0.61  1.00   1.62   0.02) =   0.684%  kept
          HN    VAL   83 - HN    SER   48  13.18 +/- 0.93   0.006% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.94 +/- 0.67   0.000% *  0.0465% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.07, residual support = 6.15:
      O   HA    ALA   47 - HN    SER   48   2.34 +/- 0.04  98.538% * 99.6576% (0.90  10.0   2.07   6.15) =  99.999%  kept
          HA    CYS   50 - HN    SER   48   5.46 +/- 0.12   0.620% *  0.0807% (0.73   1.0   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    SER   48   5.19 +/- 0.06   0.837% *  0.0585% (0.53   1.0   0.02  14.86) =   0.000%
          HA    VAL  108 - HN    SER   48  13.88 +/- 0.87   0.002% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  15.11 +/- 1.29   0.002% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  17.68 +/- 0.66   0.001% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 74.8:
          HD1   TRP   49 - HN    TRP   49   2.25 +/- 0.80  99.948% * 98.1867% (0.92   4.62  74.81) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.96 +/- 2.13   0.020% *  0.2979% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.61 +/- 0.88   0.022% *  0.1148% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.71 +/- 0.94   0.005% *  0.3163% (0.69   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  21.43 +/- 1.81   0.001% *  0.3688% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  17.88 +/- 0.96   0.003% *  0.0911% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  24.12 +/- 0.81   0.000% *  0.4514% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  30.37 +/- 1.22   0.000% *  0.1728% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 1 structures by 0.05 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.31, residual support = 14.9:
        T HN    SER   48 - HN    TRP   49   2.62 +/- 0.08 100.000% *100.0000% (0.84 10.00   4.31  14.86) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.974, support = 1.91, residual support = 7.12:
      O   HA    CYS   50 - HN    CYS   50   2.22 +/- 0.02  91.946% * 51.1416% (0.98  10.0   1.86   7.36) =  94.367%  kept
      O   HA    TRP   49 - HN    CYS   50   3.52 +/- 0.07   5.763% * 48.6896% (0.87  10.0   2.73   3.13) =   5.631%  kept
          HA    ALA   47 - HN    CYS   50   4.12 +/- 0.14   2.287% *  0.0318% (0.57   1.0   0.02   7.12) =   0.001%
          HA1   GLY  109 - HN    CYS   50  14.16 +/- 1.37   0.002% *  0.0542% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  13.50 +/- 0.92   0.002% *  0.0252% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.22 +/- 0.85   0.000% *  0.0386% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.29 +/- 1.15   0.000% *  0.0191% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 4.17, residual support = 73.3:
      O   HA    TRP   49 - HN    TRP   49   2.88 +/- 0.03  82.817% * 80.3949% (0.87  10.0   4.20  74.81) =  97.728%  kept
          HA    CYS   50 - HN    TRP   49   4.41 +/- 0.22   6.807% * 12.9523% (0.98   1.0   2.85   3.13) =   1.294%  kept
          HA    ALA   47 - HN    TRP   49   4.11 +/- 0.20  10.365% *  6.4266% (0.57   1.0   2.45  14.94) =   0.978%  kept
          HA1   GLY  109 - HN    TRP   49  15.11 +/- 1.34   0.005% *  0.0894% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  14.52 +/- 0.84   0.005% *  0.0416% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  19.70 +/- 0.89   0.001% *  0.0637% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  27.99 +/- 1.41   0.000% *  0.0316% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.07, residual support = 74.8:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.975% * 99.6863% (0.92  10.0   2.07  74.81) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  11.89 +/- 2.57   0.024% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  23.47 +/- 1.64   0.000% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  18.56 +/- 0.94   0.001% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  24.00 +/- 1.55   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  30.25 +/- 1.48   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.39, residual support = 1.39:
      O   HA    CYS   50 - HN    GLY   51   3.08 +/- 0.26  83.483% * 99.4351% (0.98  10.0   1.39   1.39) =  99.975%  kept
          HA    TRP   49 - HN    GLY   51   4.46 +/- 0.95  15.651% *  0.1265% (0.87   1.0   0.02   0.02) =   0.024%
          HA    ALA   47 - HN    GLY   51   6.77 +/- 0.62   0.840% *  0.0825% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  13.67 +/- 1.78   0.014% *  0.1407% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  13.75 +/- 1.27   0.011% *  0.0654% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  21.54 +/- 1.03   0.001% *  0.1001% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.76 +/- 1.17   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.74, residual support = 10.2:
      O   HA1   GLY   51 - HN    GLY   51   2.39 +/- 0.26  99.934% * 99.5416% (0.92  10.0   2.74  10.17) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51   9.72 +/- 0.89   0.049% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  11.21 +/- 0.81   0.011% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  16.34 +/- 1.41   0.001% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.48 +/- 0.52   0.003% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.16 +/- 1.28   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.75 +/- 1.46   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.11 +/- 1.06   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  30.50 +/- 0.55   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  36.94 +/- 2.14   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.14, residual support = 32.5:
        T HN    ARG+  54 - HN    CYS   53   2.63 +/- 0.11  99.994% * 99.1159% (0.98 10.00   6.14  32.50) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.38 +/- 0.58   0.006% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  24.44 +/- 0.74   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  30.47 +/- 0.52   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.14, residual support = 32.5:
        T HN    CYS   53 - HN    ARG+  54   2.63 +/- 0.11  99.991% * 99.6035% (0.85 10.00   6.14  32.50) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.38 +/- 0.58   0.006% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  17.43 +/- 0.94   0.001% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  19.78 +/- 0.87   0.001% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.83 +/- 1.07   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  20.45 +/- 0.99   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.79 +/- 0.67   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  21.48 +/- 1.30   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.248, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.06 +/- 0.95  80.319% *  4.3392% (0.10   0.02   0.02) =  59.799%  kept
          HN    TRP   87 - HN    ARG+  54  19.03 +/- 0.69   3.362% * 29.7440% (0.69   0.02   0.02) =  17.156%  kept
          HD21  ASN   69 - HN    ASP-  62  15.45 +/- 1.10  12.465% *  5.8573% (0.14   0.02   0.02) =  12.528%  kept
          HN    GLN   17 - HN    ARG+  54  21.29 +/- 0.95   1.630% * 23.1904% (0.54   0.02   0.02) =   6.486%  kept
          HD21  ASN   69 - HN    ARG+  54  26.85 +/- 1.18   0.432% * 31.3037% (0.72   0.02   0.02) =   2.320%  kept
          HN    TRP   87 - HN    ASP-  62  21.07 +/- 0.53   1.792% *  5.5654% (0.13   0.02   0.02) =   1.711%  kept
    Distance limit 3.79 A violated in 20 structures by 6.84 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 17.7:
          HN    PHE   55 - HN    ILE   56   2.48 +/- 0.18  99.827% * 99.1179% (0.95   3.94  17.72) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.51 +/- 0.47   0.035% *  0.1640% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.20 +/- 0.14   0.084% *  0.0200% (0.04   0.02   5.18) =   0.000%
          HN    LEU   31 - HZ2   TRP   87   9.41 +/- 1.25   0.053% *  0.0087% (0.02   0.02   1.72) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.20 +/- 1.08   0.001% *  0.4610% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.41 +/- 0.73   0.000% *  0.1995% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.35 +/- 0.45   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  19.18 +/- 0.65   0.001% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.2, residual support = 33.5:
          HN    ALA   57 - HN    ILE   56   2.78 +/- 0.64  99.860% * 99.0176% (0.87   5.20  33.49) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  12.25 +/- 2.67   0.105% *  0.3515% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.29 +/- 1.04   0.011% *  0.1805% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.25 +/- 1.52   0.004% *  0.3937% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  13.33 +/- 0.87   0.016% *  0.0171% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  19.91 +/- 1.08   0.003% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.12 +/- 0.97   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  24.00 +/- 1.41   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 3 structures by 0.15 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 122.9:
      O   HA    ILE   56 - HN    ILE   56   2.91 +/- 0.05  99.237% * 95.8570% (0.15  10.0   5.05 122.95) =  99.996%  kept
          HA    PRO   58 - HN    ILE   56   7.45 +/- 0.38   0.374% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   7.98 +/- 0.56   0.264% *  0.4975% (0.80   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    ILE   56  17.08 +/- 0.92   0.003% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87   9.62 +/- 0.76   0.090% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  16.47 +/- 0.46   0.003% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.19 +/- 0.82   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  13.53 +/- 0.92   0.011% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  22.60 +/- 0.51   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  13.62 +/- 0.60   0.010% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  19.07 +/- 1.02   0.001% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  27.86 +/- 1.14   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  30.65 +/- 0.57   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  19.47 +/- 1.42   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  19.13 +/- 0.88   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  19.42 +/- 1.13   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  20.97 +/- 1.09   0.001% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  24.95 +/- 1.71   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  19.92 +/- 0.94   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  23.28 +/- 1.73   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.2, residual support = 33.5:
          HN    ILE   56 - HN    ALA   57   2.78 +/- 0.64  99.351% * 98.5740% (0.98   5.20  33.49) =  99.998%  kept
          HN    LEU   63 - HN    ALA   57   8.98 +/- 0.63   0.414% *  0.3570% (0.92   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   57   9.86 +/- 1.87   0.230% *  0.3468% (0.90   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   57  19.43 +/- 0.84   0.002% *  0.3468% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  19.91 +/- 1.08   0.002% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.20 +/- 1.35   0.001% *  0.1194% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  31.22 +/- 1.39   0.000% *  0.1882% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 1 structures by 0.14 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 3.68, residual support = 19.2:
        T HN    PHE   60 - HN    PHE   59   2.77 +/- 0.14  99.818% * 97.7864% (0.47 10.00   3.68  19.21) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59  10.65 +/- 0.98   0.037% *  0.6051% (0.29 10.00   0.02  10.13) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.46 +/- 0.57   0.143% *  0.0282% (0.14  1.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.74 +/- 0.91   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 4.73, residual support = 55.1:
      O   HA    PHE   59 - HN    PHE   59   2.76 +/- 0.05  70.159% * 86.5231% (0.24  10.0   4.96  57.30) =  94.255%  kept
          HA    ILE   56 - HN    PHE   59   3.27 +/- 0.42  29.817% * 12.4089% (0.69   1.0   0.99  19.86) =   5.745%  kept
          HA    ASP- 113 - HN    PHE   59  10.99 +/- 0.54   0.019% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  14.26 +/- 0.64   0.004% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  19.80 +/- 0.71   0.001% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  19.30 +/- 0.79   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  26.20 +/- 0.91   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.48, residual support = 24.3:
      O   HA    ALA   57 - HN    ALA   57   2.79 +/- 0.16  99.903% * 99.2309% (0.76  10.0   4.48  24.31) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.08 +/- 1.02   0.058% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  10.80 +/- 1.01   0.033% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.57 +/- 0.95   0.004% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  20.29 +/- 1.32   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.75 +/- 1.03   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.37 +/- 0.93   0.001% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  24.37 +/- 1.17   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.67 +/- 1.63   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.986, support = 4.62, residual support = 33.3:
      O   HA    ILE   56 - HN    ALA   57   3.01 +/- 0.23  94.986% * 90.9025% (0.99  10.0   4.64  33.49) =  99.501%  kept
          HA    PRO   58 - HN    ALA   57   4.97 +/- 0.10   4.991% *  8.6807% (0.34   1.0   5.55  24.56) =   0.499%
          HA    ASP- 113 - HN    ALA   57  12.68 +/- 0.82   0.018% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.96 +/- 0.85   0.002% *  0.0915% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.13 +/- 0.98   0.001% *  0.0823% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.69 +/- 1.18   0.001% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  20.17 +/- 0.99   0.001% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  28.06 +/- 1.22   0.000% *  0.0899% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.69 +/- 1.26   0.000% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.73, residual support = 40.8:
        T HN    PHE   60 - HN    ALA   61   2.79 +/- 0.13  99.968% * 97.7864% (0.61 10.00   4.73  40.76) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  13.01 +/- 0.85   0.011% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  15.64 +/- 0.89   0.004% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.95 +/- 0.47   0.017% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.556, support = 4.62, residual support = 37.3:
          QD    PHE   60 - HN    ALA   61   3.19 +/- 0.65  83.584% * 49.7498% (0.57   4.77  40.76) =  91.430%  kept
          HN    PHE   59 - HN    ALA   61   4.59 +/- 0.21  14.279% * 24.6045% (0.41   3.25   0.25) =   7.725%  kept
          QE    PHE   59 - HN    ALA   61   6.76 +/- 0.92   1.517% * 25.1924% (0.80   1.71   0.25) =   0.840%  kept
          HN    LYS+  66 - HN    ALA   61   7.68 +/- 0.38   0.618% *  0.3613% (0.98   0.02   0.02) =   0.005%
          HN    LYS+  81 - HN    ALA   61  20.78 +/- 0.89   0.001% *  0.0919% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 0.746, residual support = 0.744:
          HA    PRO   58 - HN    ALA   61   3.55 +/- 0.23  97.166% * 86.4291% (0.97   0.75   0.74) =  99.966%  kept
          HA    ILE   56 - HN    ALA   61   7.04 +/- 0.53   1.986% *  0.9870% (0.41   0.02   0.02) =   0.023%
          HA    GLN   17 - HN    ALA   61   8.91 +/- 0.87   0.482% *  0.9010% (0.38   0.02   0.02) =   0.005%
          HA    THR   46 - HN    ALA   61   9.55 +/- 0.72   0.295% *  1.0763% (0.45   0.02   0.02) =   0.004%
          HA    GLU-  15 - HN    ALA   61  14.11 +/- 0.75   0.027% *  2.2710% (0.95   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   61  14.56 +/- 0.74   0.024% *  1.2631% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.01 +/- 0.74   0.008% *  2.4008% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  19.73 +/- 1.14   0.004% *  2.2710% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  17.90 +/- 0.84   0.006% *  0.5986% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.33 +/- 0.97   0.001% *  0.9010% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  23.82 +/- 0.94   0.001% *  0.9010% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 1.98:
          HA    ALA   57 - HN    ALA   61   4.59 +/- 0.56  96.844% * 84.4532% (0.41   2.00   1.98) =  99.933%  kept
          HA    ASP-  44 - HN    ALA   61   8.71 +/- 0.70   2.857% *  1.7833% (0.87   0.02   0.02) =   0.062%
          HA1   GLY   51 - HN    ALA   61  15.32 +/- 0.71   0.078% *  1.4929% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  16.72 +/- 0.83   0.054% *  1.8978% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  18.09 +/- 1.16   0.034% *  2.0151% (0.98   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  19.08 +/- 0.86   0.026% *  1.7172% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  19.83 +/- 1.19   0.020% *  1.8438% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  16.81 +/- 1.11   0.058% *  0.3172% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  22.07 +/- 0.59   0.009% *  1.8978% (0.92   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  25.81 +/- 1.52   0.004% *  1.7172% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  22.84 +/- 1.04   0.008% *  0.4577% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  22.75 +/- 0.58   0.008% *  0.4069% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 1 structures by 0.27 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.86, residual support = 42.5:
        T HN    ASP-  62 - HN    LEU   63   2.61 +/- 0.10  99.987% * 99.7221% (0.98 10.00   5.86  42.51) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.97 +/- 0.68   0.005% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  12.97 +/- 0.71   0.007% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  18.86 +/- 0.90   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.55 +/- 0.69   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.86, residual support = 54.7:
        T HN    ALA   64 - HN    LEU   63   2.74 +/- 0.14 100.000% *100.0000% (0.97 10.00   6.86  54.69) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.74, residual support = 28.0:
        T HN    LYS+  65 - HN    ALA   64   2.57 +/- 0.12 100.000% *100.0000% (0.97 10.00   4.74  28.01) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.86, residual support = 54.7:
          HN    LEU   63 - HN    ALA   64   2.74 +/- 0.14  99.981% * 99.0105% (0.99   6.86  54.69) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.60 +/- 0.62   0.011% *  0.2753% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.26 +/- 1.68   0.004% *  0.1765% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  16.97 +/- 0.59   0.002% *  0.1197% (0.41   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  18.88 +/- 1.35   0.001% *  0.1765% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  20.10 +/- 0.69   0.001% *  0.1765% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  23.87 +/- 1.15   0.000% *  0.0648% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.74, residual support = 28.0:
        T HN    ALA   64 - HN    LYS+  65   2.57 +/- 0.12 100.000% *100.0000% (0.67 10.00   4.74  28.01) = 100.000%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 6.15, residual support = 25.1:
          HN    LYS+  66 - HN    LYS+  65   2.55 +/- 0.13  99.515% * 99.3319% (0.68   6.15  25.06) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.69 +/- 0.57   0.366% *  0.1866% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   9.04 +/- 0.64   0.060% *  0.2639% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.90 +/- 0.24   0.058% *  0.1355% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.03 +/- 0.67   0.000% *  0.0822% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 1.0, residual support = 3.75:
          HA    ASP-  62 - HN    LYS+  65   3.30 +/- 0.20  99.985% * 96.2430% (0.67   1.00   3.75) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.29 +/- 0.79   0.011% *  1.4416% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  18.66 +/- 1.15   0.003% *  1.9677% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  26.16 +/- 0.67   0.000% *  0.3477% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.15, residual support = 25.1:
        T HN    LYS+  65 - HN    LYS+  66   2.55 +/- 0.13 100.000% *100.0000% (0.97 10.00   6.15  25.06) = 100.000%  kept
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.03, residual support = 112.8:
      O   HA    LYS+  66 - HN    LYS+  66   2.88 +/- 0.03  99.999% * 99.9389% (0.97  10.0   5.03 112.81) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.76 +/- 0.74   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  25.18 +/- 0.89   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0762, support = 2.68, residual support = 47.7:
          HD22  ASN   28 - HE3   TRP   27   5.02 +/- 0.37  99.980% * 94.4025% (0.08   2.68  47.74) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  20.96 +/- 0.60   0.020% *  5.5975% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 7 structures by 0.64 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.81, residual support = 57.6:
      O   HA    LEU   67 - HN    LEU   67   2.84 +/- 0.15  99.888% * 99.9623% (1.00  10.0   5.81  57.59) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27   9.09 +/- 0.94   0.109% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.20 +/- 0.53   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  17.65 +/- 1.28   0.002% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.46, residual support = 10.1:
      O   HA    LYS+  66 - HN    LEU   67   3.49 +/- 0.10  99.838% * 99.9186% (0.97  10.0   4.46  10.12) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  11.08 +/- 1.56   0.147% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.70 +/- 0.67   0.002% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  17.16 +/- 1.68   0.009% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  20.09 +/- 0.80   0.003% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  25.18 +/- 0.96   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.2:
        T HN    VAL   70 - HN    ASN   69   2.57 +/- 0.59  99.996% * 99.9644% (0.87 10.00   5.26  26.18) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.75 +/- 0.70   0.004% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.37, residual support = 59.6:
      O   HA    ASN   69 - HN    ASN   69   2.89 +/- 0.04  99.991% * 99.8231% (0.76  10.0   5.37  59.57) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.08 +/- 0.80   0.008% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.43 +/- 0.72   0.001% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.24, residual support = 59.6:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.999% * 99.9103% (0.52  10.0 10.00   3.24  59.57) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  13.49 +/- 1.10   0.001% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  30.26 +/- 1.14   0.000% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.24, residual support = 59.6:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.998% * 99.7566% (0.52  10.0   3.24  59.57) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  10.76 +/- 0.92   0.002% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  25.30 +/- 1.29   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  22.03 +/- 1.32   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.5, residual support = 35.1:
          QE    PHE   72 - HN    VAL   70   3.98 +/- 0.59  99.987% * 97.1675% (0.45   1.50  35.06) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  18.83 +/- 0.69   0.013% *  2.8325% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.26, residual support = 26.2:
        T HN    ASN   69 - HN    VAL   70   2.57 +/- 0.59  99.985% * 99.8277% (0.76 10.00   5.26  26.18) = 100.000%  kept
          HN    ASP-  44 - HN    VAL   70  12.79 +/- 0.43   0.012% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.94 +/- 0.89   0.002% *  0.1236% (0.95  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  21.33 +/- 0.93   0.001% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.08, residual support = 1.08:
          HA    PRO   68 - HN    VAL   70   4.15 +/- 0.55 100.000% *100.0000% (0.99   1.08   1.08) = 100.000%  kept
    Distance limit 4.21 A violated in 0 structures by 0.22 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 81.2:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  99.725% * 99.2525% (0.84  10.0   3.89  81.17) = 100.000%  kept
          HA    VAL   18 - HN    VAL   70   8.58 +/- 0.53   0.170% *  0.1147% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70   9.65 +/- 0.77   0.087% *  0.0235% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  13.95 +/- 0.87   0.009% *  0.1186% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.64 +/- 1.15   0.003% *  0.0993% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.96 +/- 0.72   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  16.40 +/- 0.70   0.003% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  26.06 +/- 1.25   0.000% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  25.31 +/- 0.48   0.000% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  26.55 +/- 0.75   0.000% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  25.61 +/- 0.65   0.000% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 139.4:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.01  99.877% * 99.9402% (1.00  10.0   6.65 139.45) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   9.15 +/- 0.42   0.107% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.49 +/- 0.39   0.016% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 32.0:
      O   HA    VAL   70 - HN    LEU   71   2.24 +/- 0.01  99.128% * 99.5202% (1.00  10.0   5.14  31.98) = 100.000%  kept
          HA1   GLY   16 - HN    LEU   71   7.60 +/- 2.40   0.724% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   71   7.34 +/- 0.54   0.090% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   8.26 +/- 0.64   0.045% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  10.38 +/- 0.64   0.011% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  13.93 +/- 0.63   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  18.14 +/- 0.97   0.000% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  22.44 +/- 1.28   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.96 +/- 0.39   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 2.75:
          HA    VAL   41 - HN    LEU   71   3.83 +/- 0.51  99.827% * 98.6149% (1.00   2.00   2.75) =  99.999%  kept
          HA    HIS  122 - HN    LEU   71  12.35 +/- 0.93   0.141% *  0.8255% (0.84   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU   71  15.30 +/- 0.37   0.032% *  0.5596% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.15 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 2.28, residual support = 2.34:
          HN    VAL   42 - HN    LEU   71   4.64 +/- 0.36  88.884% * 79.6882% (0.61   2.32   2.39) =  97.945%  kept
          HN    LEU   73 - HN    LEU   71   7.09 +/- 0.19   7.533% * 19.2001% (0.61   0.56   0.02) =   2.000%  kept
          HN    ILE   19 - HN    LEU   71   8.18 +/- 0.43   3.583% *  1.1117% (0.98   0.02   0.02) =   0.055%
    Distance limit 4.47 A violated in 0 structures by 0.21 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.44, residual support = 89.8:
          QD    PHE   72 - HN    PHE   72   2.55 +/- 0.28  99.948% * 98.8861% (0.45   5.44  89.84) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72  10.24 +/- 0.98   0.036% *  0.5891% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.24 +/- 0.39   0.016% *  0.5248% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.14, residual support = 89.8:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.14  89.84) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 19.7:
      O   HA    LEU   71 - HN    PHE   72   2.19 +/- 0.02  99.900% * 99.9402% (1.00  10.0   5.28  19.70) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.43 +/- 0.35   0.069% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.52 +/- 0.48   0.031% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.532, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  14.13 +/- 0.99  25.571% * 29.8815% (0.73   0.02   0.02) =  52.854%  kept
          HA    PHE   45 - HN    PHE   72  12.43 +/- 0.34  52.746% *  7.2068% (0.18   0.02   0.02) =  26.294%  kept
          HB    THR   23 - HN    PHE   72  15.75 +/- 0.80  13.086% *  9.1616% (0.22   0.02   0.02) =   8.293%  kept
          HA    ASP-  78 - HN    PHE   72  20.84 +/- 0.21   2.371% * 39.7133% (0.97   0.02   0.02) =   6.513%  kept
          HA    LEU   80 - HN    PHE   72  17.86 +/- 0.88   6.226% * 14.0368% (0.34   0.02   0.02) =   6.046%  kept
    Distance limit 4.34 A violated in 20 structures by 6.80 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.576, support = 0.02, residual support = 0.092:
          QE    PHE   60 - HN    LEU   73   5.95 +/- 1.33  84.715% * 15.3170% (0.49   0.02   0.02) =  77.376%  kept
          HZ2   TRP   87 - HN    LEU   73   9.98 +/- 0.78   5.953% * 31.1892% (0.99   0.02   0.02) =  11.071%  kept
          HD21  ASN   28 - HN    LEU   73  10.74 +/- 1.13   4.128% * 30.8446% (0.98   0.02   0.97) =   7.593%  kept
          HN    LEU   63 - HN    LEU   73  10.15 +/- 0.59   4.919% * 12.9368% (0.41   0.02   0.02) =   3.794%  kept
          HN    ILE   56 - HN    LEU   73  16.18 +/- 0.51   0.286% *  9.7124% (0.31   0.02   0.02) =   0.166%
    Distance limit 4.46 A violated in 16 structures by 1.39 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.45, residual support = 170.9:
      O   HA    LEU   73 - HN    LEU   73   2.94 +/- 0.00 100.000% *100.0000% (0.95  10.0   6.45 170.94) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.15, residual support = 40.2:
      O   HA    PHE   72 - HN    LEU   73   2.27 +/- 0.04 100.000% *100.0000% (0.53  10.0   5.15  40.17) = 100.000%  kept
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.529, support = 3.55, residual support = 7.54:
          HA    VAL   43 - HN    LEU   73   3.11 +/- 0.35  97.028% * 68.1611% (0.53   3.58   7.61) =  99.083%  kept
          HA    LEU   71 - HN    LEU   73   6.18 +/- 0.12   1.945% * 31.3962% (0.84   1.04   0.02) =   0.915%  kept
          HA    ALA   20 - HN    LEU   73   7.15 +/- 0.41   0.945% *  0.0980% (0.14   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    LEU   73  11.48 +/- 0.55   0.049% *  0.1433% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  12.13 +/- 0.31   0.033% *  0.2014% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.93, residual support = 10.1:
        T HN    CYS   21 - HN    LYS+  74   2.57 +/- 0.52  99.988% * 95.8247% (0.12 10.00   3.93  10.15) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.14 +/- 0.56   0.001% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  14.95 +/- 0.54   0.005% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.06 +/- 0.64   0.003% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.54 +/- 0.62   0.003% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.57, support = 4.18, residual support = 18.3:
        T HN    ILE   19 - HN    LYS+  74   4.67 +/- 0.68  45.135% * 72.8949% (0.54 10.00   3.25   8.15) =  69.568%  kept
          HN    LEU   73 - HN    LYS+  74   4.48 +/- 0.03  53.298% * 27.0007% (0.64  1.00   6.31  41.43) =  30.429%  kept
          HN    VAL   42 - HN    LYS+  74   8.22 +/- 0.55   1.552% *  0.0855% (0.64  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HN    LYS+  74  17.51 +/- 0.48   0.015% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.69, residual support = 41.4:
      O   HA    LEU   73 - HN    LYS+  74   2.36 +/- 0.08 100.000% *100.0000% (0.68  10.0   5.69  41.43) = 100.000%  kept
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.12, residual support = 187.7:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.01  99.897% * 99.4309% (0.20  10.0   6.12 187.75) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.43 +/- 0.63   0.099% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  17.04 +/- 0.96   0.003% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  19.24 +/- 0.76   0.001% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.73, residual support = 8.18:
          HA    ALA   20 - HN    LYS+  74   3.20 +/- 0.39  99.747% * 99.7083% (0.68   3.73   8.18) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.99 +/- 0.19   0.253% *  0.2917% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 5.99, residual support = 31.7:
      O   HA    LYS+  74 - HN    VAL   75   2.27 +/- 0.02  99.996% * 99.7992% (0.61  10.0   5.99  31.68) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  12.70 +/- 1.01   0.004% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.64 +/- 0.82   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.75, residual support = 36.2:
      O   HA    ASP-  76 - HN    ASP-  76   2.90 +/- 0.02  99.999% * 99.5538% (0.22  10.0   3.75  36.15) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.64 +/- 1.37   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 15.3:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  99.931% * 99.5919% (0.65  10.0   3.97  15.34) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.70 +/- 0.64   0.061% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  11.81 +/- 1.27   0.006% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.22 +/- 1.08   0.002% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.44 +/- 0.42   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.32, residual support = 28.3:
        T HN    ASP-  78 - HN    THR   77   2.77 +/- 0.05  98.895% * 99.9203% (0.98 10.00   5.32  28.26) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.89 +/- 0.23   1.104% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  19.50 +/- 1.28   0.001% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.32, residual support = 28.3:
        T HN    THR   77 - HN    ASP-  78   2.77 +/- 0.05 100.000% *100.0000% (1.00 10.00   5.32  28.26) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.76, residual support = 16.6:
        T HN    GLU-  79 - HN    ASP-  78   2.47 +/- 0.13  99.985% * 99.9158% (0.99 10.00   3.76  16.61) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  11.05 +/- 0.70   0.015% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.76, residual support = 16.6:
        T HN    ASP-  78 - HN    GLU-  79   2.47 +/- 0.13  99.919% * 99.9001% (0.56 10.00   3.76  16.61) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.13 +/- 0.19   0.081% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.604, support = 4.26, residual support = 54.9:
      O   HA    GLU-  79 - HN    GLU-  79   2.88 +/- 0.05  97.933% * 99.4285% (0.60  10.0   4.26  54.95) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.58 +/- 0.32   2.023% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.78 +/- 0.35   0.021% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.66 +/- 0.42   0.014% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  15.99 +/- 1.15   0.004% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  15.51 +/- 1.19   0.004% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  21.46 +/- 1.37   0.001% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.32 +/- 0.52   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  30.78 +/- 3.13   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0825, support = 3.75, residual support = 16.6:
      O   HA    ASP-  78 - HN    GLU-  79   3.54 +/- 0.08  99.392% * 98.7485% (0.08  10.0   3.75  16.61) =  99.996%  kept
          HA    PHE   45 - HN    GLU-  79   8.40 +/- 0.48   0.603% *  0.7232% (0.60   1.0   0.02   0.02) =   0.004%
          HA    VAL   41 - HN    GLU-  79  18.85 +/- 0.45   0.004% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  27.41 +/- 0.82   0.000% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 10.9:
      O   HA    ASP-  76 - HN    THR   77   2.28 +/- 0.02 100.000% * 99.8354% (0.53  10.0   4.53  10.91) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.17 +/- 1.25   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.564, support = 0.469, residual support = 0.467:
          HA    ALA   47 - HN    THR   77   4.76 +/- 0.65  95.686% * 75.6435% (0.57   0.47   0.47) =  99.699%  kept
          HA    CYS   50 - HN    THR   77   8.87 +/- 0.77   2.562% *  5.5663% (0.98   0.02   0.02) =   0.196%
          HA    TRP   49 - HN    THR   77  10.52 +/- 0.80   1.000% *  4.9259% (0.87   0.02   0.02) =   0.068%
          HA    CYS   21 - HN    THR   77  12.55 +/- 0.57   0.405% *  3.9008% (0.69   0.02   0.02) =   0.022%
          HA    VAL  108 - HN    THR   77  13.29 +/- 0.57   0.247% *  2.5460% (0.45   0.02   0.02) =   0.009%
          HA1   GLY  109 - HN    THR   77  16.00 +/- 0.72   0.084% *  5.4804% (0.97   0.02   0.02) =   0.006%
          HA    LYS+ 102 - HN    THR   77  21.66 +/- 1.51   0.016% *  1.9371% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 6 structures by 0.52 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 0.956, residual support = 11.1:
          HA    THR   46 - HN    THR   77   5.82 +/- 0.68  63.242% * 77.3363% (0.25   0.99  11.41) =  96.857%  kept
          HA    GLN   90 - HN    THR   77   6.94 +/- 1.60  36.062% *  4.3182% (0.69   0.02   0.02) =   3.084%  kept
          HA    VAL   42 - HN    THR   77  14.90 +/- 0.46   0.230% *  5.4530% (0.87   0.02   0.02) =   0.025%
          HA    ALA  110 - HN    THR   77  14.66 +/- 1.43   0.265% *  3.5591% (0.57   0.02   0.02) =   0.019%
          HA    PHE   55 - HN    THR   77  16.68 +/- 0.86   0.112% *  5.4530% (0.87   0.02   0.02) =   0.012%
          HA    GLN   17 - HN    THR   77  18.12 +/- 0.78   0.083% *  1.9403% (0.31   0.02   0.02) =   0.003%
          HA    SER   37 - HN    THR   77  26.90 +/- 0.73   0.007% *  1.9403% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 13 structures by 1.06 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.02, residual support = 37.8:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.01  98.044% * 99.1602% (0.76  10.0   4.02  37.75) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   7.02 +/- 0.11   1.471% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   9.31 +/- 0.52   0.289% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  10.83 +/- 0.47   0.113% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.06 +/- 0.51   0.037% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  13.07 +/- 0.77   0.037% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  18.99 +/- 1.24   0.004% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.28 +/- 1.08   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  21.85 +/- 0.81   0.002% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  28.18 +/- 2.22   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.81 +/- 0.47   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  30.88 +/- 2.62   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 5.18, residual support = 32.6:
        T HN    LEU   80 - HN    LYS+  81   3.82 +/- 0.26  95.023% * 98.5772% (0.65 10.00   5.18  32.56) =  99.996%  kept
          HN    SER   85 - HN    LYS+  81   6.38 +/- 0.22   4.952% *  0.0683% (0.45  1.00   0.02   0.02) =   0.004%
        T HN    ALA   34 - HN    LYS+  81  20.45 +/- 0.77   0.004% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  17.87 +/- 0.76   0.010% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  17.58 +/- 0.90   0.011% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 12.9:
        T HN    SER   82 - HN    LYS+  81   2.54 +/- 0.10  99.970% * 99.8569% (1.00 10.00   4.20  12.94) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  10.65 +/- 1.28   0.030% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  21.70 +/- 2.27   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.60 +/- 0.80   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  27.78 +/- 1.42   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.53, residual support = 32.6:
      O   HA    LEU   80 - HN    LYS+  81   2.48 +/- 0.15  98.663% * 99.6041% (0.69  10.0   5.53  32.56) =  99.998%  kept
          HA    ASP-  78 - HN    LYS+  81   5.80 +/- 0.48   0.921% *  0.1372% (0.95   1.0   0.02   0.76) =   0.001%
          HA    THR   23 - HN    LYS+  81   7.45 +/- 0.72   0.195% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   7.94 +/- 1.54   0.222% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  23.29 +/- 1.11   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.31, residual support = 101.8:
      O   HA    LYS+  81 - HN    LYS+  81   2.82 +/- 0.04  99.990% * 99.7055% (0.99  10.0   5.31 101.80) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.53 +/- 0.60   0.009% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  20.41 +/- 0.78   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  26.56 +/- 0.64   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  23.49 +/- 1.48   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  34.36 +/- 1.55   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.91, residual support = 33.3:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.03  99.950% * 98.7108% (0.25  10.0   3.91  33.32) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  10.40 +/- 0.65   0.041% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  13.71 +/- 0.63   0.007% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.77 +/- 0.76   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.11 +/- 0.53   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  26.61 +/- 1.51   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.2, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82   8.86 +/- 1.39  99.503% * 32.4951% (0.20   0.02   0.02) =  98.973%  kept
          HA    ASP- 105 - HN    SER   82  22.45 +/- 1.11   0.497% * 67.5049% (0.41   0.02   0.02) =   1.027%  kept
    Distance limit 4.22 A violated in 20 structures by 4.63 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 19.5:
        T HN    VAL   83 - HN    SER   82   2.68 +/- 0.10  99.998% * 99.9274% (1.00 10.00   5.62  19.47) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.34 +/- 0.96   0.002% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.2, residual support = 12.9:
          HN    LYS+  81 - HN    SER   82   2.54 +/- 0.10  99.959% * 99.2859% (1.00   4.20  12.94) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  10.27 +/- 1.76   0.039% *  0.1055% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  16.70 +/- 0.67   0.001% *  0.3794% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  22.66 +/- 1.18   0.000% *  0.0830% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  26.22 +/- 0.79   0.000% *  0.1462% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.62, residual support = 42.6:
        T HN    ALA   84 - HN    VAL   83   2.66 +/- 0.05  99.998% * 99.6823% (0.75 10.00   7.62  42.64) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  18.44 +/- 1.84   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.16 +/- 1.12   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.72 +/- 0.63   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  21.48 +/- 0.84   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 19.5:
        T HN    SER   82 - HN    VAL   83   2.68 +/- 0.10  99.949% * 99.8569% (0.75 10.00   5.62  19.47) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.05 +/- 1.08   0.049% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  17.69 +/- 2.39   0.002% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.09 +/- 0.94   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  25.78 +/- 1.01   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.74 +/- 0.07  99.974% * 99.8725% (0.99 10.00   3.77  20.73) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.17 +/- 0.47   0.023% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  16.85 +/- 1.00   0.002% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  19.01 +/- 0.88   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.62, residual support = 42.6:
        T HN    VAL   83 - HN    ALA   84   2.66 +/- 0.05  99.996% * 99.9274% (1.00 10.00   7.62  42.64) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.30 +/- 0.75   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.27, residual support = 5.57:
          HA    LYS+  81 - HN    ALA   84   3.28 +/- 0.21  99.951% * 95.7130% (0.80   2.27   5.57) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  12.44 +/- 0.78   0.038% *  0.5129% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  19.39 +/- 0.58   0.002% *  1.0169% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  20.06 +/- 1.28   0.002% *  0.4724% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  18.60 +/- 1.96   0.004% *  0.1845% (0.18   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  20.71 +/- 0.85   0.002% *  0.3252% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  25.06 +/- 0.84   0.001% *  0.7238% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  31.22 +/- 1.51   0.000% *  1.0513% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 0.02:
          HA    GLU-  25 - HN    VAL   83   9.67 +/- 0.51  77.335% * 13.1508% (0.34   0.02   0.02) =  69.120%  kept
          HA    THR   26 - HN    VAL   83  12.63 +/- 0.58  15.684% * 21.2999% (0.55   0.02   0.02) =  22.704%  kept
          HA    CYS   53 - HN    VAL   83  18.11 +/- 0.51   1.883% * 27.0775% (0.70   0.02   0.02) =   3.466%  kept
          HA    ILE   19 - HN    VAL   83  17.35 +/- 0.77   2.406% * 20.1488% (0.52   0.02   0.02) =   3.294%  kept
          HA1   GLY  101 - HN    VAL   83  17.85 +/- 1.99   2.384% *  7.3142% (0.19   0.02   0.02) =   1.185%  kept
          HA    GLU- 114 - HN    VAL   83  24.65 +/- 1.44   0.308% * 11.0089% (0.28   0.02   0.02) =   0.231%
    Distance limit 4.22 A violated in 20 structures by 5.05 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.577, support = 2.6, residual support = 5.2:
        T HN    SER   85 - HN    VAL   83   4.31 +/- 0.09  82.520% * 99.5391% (0.58 10.00   2.60   5.20) =  99.990%  kept
          HN    LEU   80 - HN    VAL   83   5.62 +/- 0.23  17.396% *  0.0444% (0.26  1.00   0.02   0.02) =   0.009%
          HN    GLN   32 - HN    VAL   83  15.03 +/- 0.87   0.049% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  18.21 +/- 0.57   0.015% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  17.59 +/- 0.76   0.019% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.27, residual support = 11.1:
          HN    SER   82 - HN    ALA   84   3.85 +/- 0.08  97.130% * 99.2379% (0.87   4.27  11.08) =  99.989%  kept
          HN    GLN   90 - HN    ALA   84   7.47 +/- 1.06   2.855% *  0.3679% (0.69   0.02   0.02) =   0.011%
          HN    ILE  103 - HN    ALA   84  17.67 +/- 2.12   0.013% *  0.2607% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  23.48 +/- 0.85   0.002% *  0.1335% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.47 +/- 0.08  99.997% * 97.4562% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  16.65 +/- 0.91   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.96 +/- 0.77   0.001% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  19.75 +/- 1.16   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  23.75 +/- 1.79   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  29.60 +/- 1.35   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.74 +/- 0.07  99.870% * 97.8189% (0.90   3.77  20.73) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.61 +/- 0.25   0.106% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  11.72 +/- 1.30   0.021% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  19.60 +/- 1.29   0.001% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  20.20 +/- 0.67   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  22.49 +/- 0.60   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  21.85 +/- 2.09   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.6, residual support = 5.2:
        T HN    VAL   83 - HN    SER   85   4.31 +/- 0.09  99.953% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.66 +/- 0.83   0.047% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.23 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HA    SER   85 - HN    SER   85   2.82 +/- 0.02  96.267% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.94 +/- 0.07   3.320% *  0.0449% (0.45   1.0   0.02  13.43) =   0.002%
          HB    THR   77 - HN    SER   85   7.38 +/- 0.62   0.359% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.25 +/- 0.20   0.042% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  13.50 +/- 0.51   0.008% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  17.55 +/- 1.46   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.42 +/- 0.93   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  19.49 +/- 0.74   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  25.12 +/- 0.77   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  28.86 +/- 1.46   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  35.34 +/- 3.13   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.14 +/- 2.69   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.546, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  16.76 +/- 0.62  10.519% * 23.1039% (0.98   0.02   0.02) =  29.214%  kept
          HA    ASN   28 - HN    SER   85  13.98 +/- 0.89  31.872% *  5.2476% (0.22   0.02   0.02) =  20.105%  kept
          HA    GLU-  25 - HN    SER   85  13.80 +/- 0.56  34.057% *  4.1279% (0.18   0.02   0.02) =  16.899%  kept
          HA    CYS   53 - HN    SER   85  17.43 +/- 0.58   8.708% * 14.2963% (0.61   0.02   0.02) =  14.964%  kept
          HA1   GLY  101 - HN    SER   85  19.30 +/- 1.95   5.267% * 13.3446% (0.57   0.02   0.02) =   8.449%  kept
          HA    GLU- 114 - HN    SER   85  23.42 +/- 1.60   1.556% * 17.1158% (0.73   0.02   0.02) =   3.201%  kept
          HA    ILE   19 - HN    SER   85  20.49 +/- 0.62   3.184% *  8.0401% (0.34   0.02   0.02) =   3.078%  kept
          HA    LEU  115 - HN    SER   85  21.00 +/- 1.38   2.949% *  5.8774% (0.25   0.02   0.02) =   2.083%  kept
          HA    ALA   34 - HN    SER   85  22.37 +/- 0.97   1.888% *  8.8463% (0.38   0.02   0.02) =   2.008%  kept
    Distance limit 3.78 A violated in 20 structures by 7.73 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.47 +/- 0.08  99.992% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  12.34 +/- 0.49   0.007% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  16.90 +/- 1.30   0.001% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  19.11 +/- 1.16   0.001% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.69, residual support = 22.5:
          HN    TRP   87 - HN    ASP-  86   2.73 +/- 0.04  99.605% * 98.7385% (0.95   3.69  22.49) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   6.88 +/- 0.14   0.395% *  0.1746% (0.31   0.02  22.49) =   0.001%
          HN    GLN   17 - HN    ASP-  86  24.16 +/- 0.76   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  26.72 +/- 1.41   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.842, support = 4.02, residual support = 40.7:
      O   HA    ASP-  86 - HN    ASP-  86   2.73 +/- 0.01  81.216% * 84.6024% (0.87  10.0   4.05  41.71) =  96.379%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.01  17.151% * 15.0488% (0.15  10.0   3.27  13.43) =   3.620%  kept
          HA    TRP   87 - HN    ASP-  86   5.27 +/- 0.03   1.558% *  0.0271% (0.28   1.0   0.02  22.49) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.10 +/- 0.64   0.067% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  12.98 +/- 0.49   0.007% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  18.82 +/- 1.43   0.001% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.28 +/- 1.56   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  32.49 +/- 2.69   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  34.57 +/- 3.14   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 22.5:
          HN    ASP-  86 - HN    TRP   87   2.73 +/- 0.04  99.991% * 98.4310% (1.00   3.69  22.49) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  15.99 +/- 0.94   0.003% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  15.86 +/- 0.77   0.003% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  16.09 +/- 1.19   0.003% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  20.29 +/- 2.05   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  28.31 +/- 1.26   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.849, support = 3.98, residual support = 66.8:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.552% * 78.1363% (0.90  10.0   4.03  70.32) =  92.552%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.61 +/- 0.01  22.445% * 21.7248% (0.25  10.0   3.39  22.49) =   7.448%  kept
          HA    LEU  104 - HN    TRP   87  16.66 +/- 1.40   0.003% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  20.98 +/- 0.95   0.001% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.74 +/- 1.41   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.24 +/- 2.43   0.000% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.87, residual support = 70.3:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.709% * 98.5282% (0.28  10.0   1.87  70.32) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2749% (0.73   1.0   0.02  70.32) =   0.003%
          HN    TRP   27 - HE1   TRP   87   9.72 +/- 0.51   0.042% *  0.3395% (0.90   1.0   0.02   6.14) =   0.000%
          HN    ALA   91 - HE1   TRP   87  10.96 +/- 0.43   0.020% *  0.3752% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  17.02 +/- 0.72   0.001% *  0.3653% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  18.18 +/- 0.75   0.001% *  0.1168% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 6.14:
          HZ2   TRP   27 - HE1   TRP   87   4.72 +/- 0.77  99.906% * 99.7535% (0.80   2.00   6.14) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   87  16.12 +/- 0.73   0.094% *  0.2465% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 6 structures by 0.66 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.283, support = 2.95, residual support = 5.12:
      O   HA    TRP   87 - HN    ALA   88   3.25 +/- 0.09  25.799% * 95.2913% (0.28  10.0   2.98   5.18) =  98.871%  kept
          HA    ASP-  86 - HN    ALA   88   4.05 +/- 0.13   6.954% *  3.5255% (0.87   1.0   0.24   0.02) =   0.986%  kept
          HA    SER   85 - HN    ALA   88   2.76 +/- 0.08  67.173% *  0.0529% (0.15   1.0   0.02   0.02) =   0.143%
          HB    THR   77 - HN    ALA   88   9.25 +/- 0.84   0.065% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  12.64 +/- 0.58   0.008% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  17.80 +/- 1.48   0.001% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  29.70 +/- 1.45   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  34.26 +/- 2.52   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  36.42 +/- 2.93   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.605, support = 0.879, residual support = 17.6:
          HA    TRP   87 - HN    ILE   89   4.44 +/- 0.18  90.028% * 76.4641% (0.61   0.90  18.04) =  97.556%  kept
          HA    ASP-  86 - HN    ILE   89   6.53 +/- 0.53   9.931% * 17.3574% (0.53   0.23   0.02) =   2.443%  kept
          HA    LEU  104 - HN    ILE   89  17.51 +/- 1.38   0.026% *  2.6645% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  19.68 +/- 1.07   0.013% *  0.4346% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  28.54 +/- 1.26   0.001% *  1.7084% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  33.38 +/- 2.28   0.001% *  1.3710% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.15 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.2:
          HN    ALA   91 - HN    GLN   90   2.46 +/- 0.49  99.965% * 99.1370% (0.92   6.75  32.16) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.35 +/- 0.23   0.030% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  16.76 +/- 1.15   0.002% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  16.79 +/- 1.16   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  23.38 +/- 1.26   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.351, support = 5.45, residual support = 89.0:
      O   HA    GLN   90 - HN    GLN   90   2.50 +/- 0.32  95.923% * 68.5365% (0.34  10.0   5.49  90.03) =  98.135%  kept
          HA    ALA   91 - HN    GLN   90   4.70 +/- 0.45   4.029% * 31.0098% (0.87   1.0   3.56  32.16) =   1.865%  kept
          HA    ALA  110 - HN    GLN   90  11.72 +/- 1.31   0.034% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    GLN   90  12.83 +/- 1.43   0.012% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  16.73 +/- 1.09   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  16.70 +/- 0.83   0.001% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 90.0:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  90.03) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  27.43 +/- 2.25   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  28.50 +/- 2.19   0.000% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 90.0:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.982% * 99.4024% (0.76  10.0   1.00  90.03) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.13 +/- 1.03   0.016% *  0.0646% (0.25   1.0   0.02   5.83) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  12.74 +/- 2.41   0.002% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  14.76 +/- 2.26   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  20.50 +/- 1.65   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  26.47 +/- 1.84   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  23.82 +/- 3.17   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  27.43 +/- 2.25   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  27.19 +/- 2.75   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  31.88 +/- 1.42   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  32.21 +/- 1.53   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  35.22 +/- 1.59   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.2:
        T HN    GLN   90 - HN    ALA   91   2.46 +/- 0.49  99.784% * 99.6698% (0.95 10.00   6.75  32.16) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   7.84 +/- 1.50   0.174% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  16.79 +/- 1.16   0.002% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.80 +/- 0.83   0.012% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  19.51 +/- 1.83   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.80 +/- 0.73   0.025% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  17.92 +/- 1.79   0.002% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.78 +/- 0.47   0.000% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.109, support = 0.02, residual support = 17.1:
          HA    LEU   73 - HN    TRP   27   7.69 +/- 0.79  99.328% * 10.9973% (0.08   0.02  18.09) =  94.807%  kept
          HA    LEU   73 - HN    ALA   91  18.25 +/- 0.67   0.672% * 89.0027% (0.65   0.02   0.02) =   5.193%  kept
    Distance limit 4.33 A violated in 20 structures by 3.34 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.876, support = 2.85, residual support = 25.9:
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.03  42.198% * 89.2967% (1.00  10.0   2.46  12.86) =  86.192%  kept
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.03  57.707% * 10.4606% (0.12  10.0   5.35 107.49) =  13.808%  kept
          HA    ALA  110 - HN    ALA   91  10.80 +/- 1.51   0.072% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  12.47 +/- 1.60   0.010% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  11.85 +/- 1.15   0.011% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.88 +/- 0.86   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  20.61 +/- 0.85   0.000% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.60 +/- 0.49   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.77 +/- 0.78   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.09 +/- 1.30   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 62.2:
      O   HA    MET   92 - HN    MET   92   2.27 +/- 0.18  99.987% * 99.1845% (0.25  10.0   4.21  62.18) = 100.000%  kept
          HA    PHE   45 - HN    MET   92  10.43 +/- 0.51   0.013% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  22.06 +/- 0.59   0.000% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  24.33 +/- 1.12   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.89, residual support = 8.96:
      O   HA    ALA   91 - HN    MET   92   2.26 +/- 0.09  99.882% * 99.6892% (0.80  10.0   2.89   8.96) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   7.82 +/- 1.25   0.103% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.49 +/- 0.96   0.004% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.64 +/- 1.40   0.010% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  20.79 +/- 0.99   0.000% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.945, support = 3.29, residual support = 27.0:
        T HN    PHE   45 - HN    THR   94   3.76 +/- 0.33  94.690% * 97.5747% (0.95 10.00   3.30  27.06) =  99.861%  kept
          HN    ALA  110 - HN    THR   94   6.62 +/- 1.38   5.310% *  2.4253% (1.00  1.00   0.47   0.02) =   0.139%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.56 +/- 0.48 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.26 A violated in 20 structures by 4.30 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.09, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.19 +/- 0.06  99.982% * 99.9112% (0.22  10.0   4.09  15.60) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   9.43 +/- 0.76   0.018% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.982, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.07 +/- 0.24  93.421% * 54.6147% (1.00   0.02   0.02) =  95.947%  kept
          HA    LYS+  74 - HN    THR   94   9.58 +/- 0.44   6.443% * 33.1992% (0.61   0.02   0.02) =   4.022%  kept
          HA    HIS  122 - HN    THR   94  18.14 +/- 1.02   0.136% * 12.1862% (0.22   0.02   0.02) =   0.031%
    Distance limit 3.69 A violated in 20 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 45.7:
          HN    VAL  107 - HN    PHE   95   2.97 +/- 0.64  99.984% * 99.0525% (0.97   2.00  45.66) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.63 +/- 0.81   0.016% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.52 +/- 0.48  99.588% * 99.3377% (0.87   3.86  73.51) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  10.96 +/- 0.35   0.145% *  0.5144% (0.87   0.02   0.02) =   0.001%
          QE    PHE   72 - HN    PHE   95   9.99 +/- 0.73   0.267% *  0.1479% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.09 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (1.00  10.0   4.33  73.51) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.4:
      O   HA    THR   94 - HN    PHE   95   2.18 +/- 0.06  99.975% * 99.8515% (0.65  10.0   3.16  14.44) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.82 +/- 0.37   0.007% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.18 +/- 0.22   0.018% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.0, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.22 +/- 0.04 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.6:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  99.809% * 99.9800% (0.94  10.0   4.09 115.55) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   8.33 +/- 0.41   0.191% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.19, residual support = 54.4:
        T HN    ASP- 105 - HN    PHE   97   3.61 +/- 0.50  99.944% * 99.9802% (1.00 10.00   4.19  54.43) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  13.42 +/- 0.98   0.056% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.06 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.1, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   3.41 +/- 0.58  99.025% * 98.9938% (0.80   4.10  62.65) =  99.995%  kept
          HZ3   TRP   87 - HN    PHE   97   8.19 +/- 1.11   0.973% *  0.5232% (0.87   0.02   0.02) =   0.005%
          HE3   TRP   49 - HN    PHE   97  22.79 +/- 1.42   0.002% *  0.4830% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.17 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.92, residual support = 10.1:
          HA    LYS+ 106 - HN    PHE   97   3.60 +/- 0.52 100.000% *100.0000% (0.98   2.92  10.06) = 100.000%  kept
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 46.1:
      O   HA    MET   96 - HN    PHE   97   2.23 +/- 0.05  99.984% * 99.9800% (0.99  10.0   6.07  46.07) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.72 +/- 0.54   0.016% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.87, residual support = 24.1:
        T HN    VAL   41 - HN    LEU   98   3.75 +/- 0.48 100.000% *100.0000% (0.69 10.00   4.87  24.13) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.12 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 82.4:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80  10.0   5.21  82.44) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 521 (5.36, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.48, residual support = 11.0:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.00 100.000% *100.0000% (0.98  10.0   3.48  11.04) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.457, support = 1.03, residual support = 1.67:
          HA    VAL   42 - HN    LEU   98   2.88 +/- 0.46  95.623% * 25.3906% (0.45   0.90   0.80) =  89.112%  kept
          HA    LEU   40 - HN    LEU   98   5.56 +/- 0.54   4.346% * 68.2565% (0.53   2.07   8.78) =  10.887%  kept
          HA    SER   37 - HN    LEU   98  14.59 +/- 0.71   0.009% *  1.2116% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   98  14.53 +/- 1.02   0.007% *  1.2116% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  14.91 +/- 1.03   0.007% *  0.9116% (0.73   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  15.55 +/- 0.49   0.005% *  1.2443% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  17.58 +/- 0.77   0.003% *  0.8623% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  20.66 +/- 1.03   0.001% *  0.9116% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.94, support = 0.757, residual support = 1.48:
          HN    LYS+ 102 - HN    LYS+  99   2.75 +/- 0.66  98.240% * 64.4880% (0.95   0.75   1.49) =  99.267%  kept
          HN    ASP- 105 - HN    LYS+  99   6.57 +/- 0.47   1.444% * 32.2945% (0.18   2.02   0.02) =   0.731%  kept
          HN    THR   39 - HN    LYS+  99   9.54 +/- 0.61   0.111% *  0.6841% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  12.54 +/- 0.67   0.022% *  1.4596% (0.80   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLN   30   9.48 +/- 0.22   0.119% *  0.0959% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  15.00 +/- 1.04   0.008% *  0.7494% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.60 +/- 0.41   0.040% *  0.0449% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.13 +/- 1.25   0.005% *  0.1133% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  14.43 +/- 0.67   0.009% *  0.0492% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.43 +/- 0.56   0.002% *  0.0210% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.07 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.18, residual support = 17.1:
      O   HA    LEU   98 - HN    LYS+  99   2.28 +/- 0.06  99.998% * 99.9934% (0.99  10.0   4.18  17.10) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.24 +/- 0.65   0.002% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.16, residual support = 172.8:
      O   HA    LYS+  99 - HN    LYS+  99   2.92 +/- 0.02  99.839% * 99.5300% (0.80  10.0   5.16 172.83) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.57 +/- 0.69   0.091% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  15.70 +/- 1.49   0.005% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.70 +/- 0.23   0.042% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  14.86 +/- 1.37   0.007% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.51 +/- 0.89   0.002% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.62 +/- 0.61   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.91 +/- 0.37   0.009% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  21.25 +/- 1.14   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  17.31 +/- 1.03   0.002% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.64 +/- 1.25   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.45 +/- 1.04   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  24.82 +/- 1.45   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  29.98 +/- 0.86   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.00 +/- 0.46  93.787% * 99.9864% (1.00 10.00   3.61  14.94) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   4.84 +/- 0.48   6.213% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 39.8:
      O   HA    LYS+  99 - HN    GLU- 100   2.18 +/- 0.00  76.952% * 99.5956% (0.99  10.0   6.83  39.77) =  99.994%  kept
          HA    LEU   40 - HN    GLU- 100   2.83 +/- 0.56  22.893% *  0.0199% (0.20   1.0   0.02   0.02) =   0.006%
          HA    ASN   35 - HN    GLU- 100   6.37 +/- 0.52   0.155% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  16.21 +/- 1.82   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.22 +/- 1.18   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  19.87 +/- 0.81   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.34 +/- 0.76   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.50 +/- 0.68  99.669% * 98.8252% (0.95   3.13  12.54) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   7.80 +/- 0.77   0.192% *  0.2502% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101   9.91 +/- 0.75   0.061% *  0.5338% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.77 +/- 0.45   0.074% *  0.1168% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  15.95 +/- 1.34   0.004% *  0.2741% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.748, residual support = 1.49:
          HN    LYS+  99 - HN    LYS+ 102   2.75 +/- 0.66  99.865% * 93.8968% (0.98   0.75   1.49) =  99.998%  kept
          HE1   HIS  122 - HN    LYS+ 102  12.20 +/- 3.74   0.084% *  2.4230% (0.95   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    LYS+ 102  10.55 +/- 1.21   0.043% *  0.3952% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  15.13 +/- 1.25   0.006% *  0.6387% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  18.16 +/- 1.43   0.002% *  0.5069% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  22.46 +/- 1.92   0.001% *  2.1394% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.04 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.50 +/- 0.68  99.947% * 99.9864% (1.00 10.00   3.13  12.54) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.15 +/- 1.16   0.053% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.00 +/- 0.46 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.981, support = 1.42, residual support = 1.39:
          HA    LYS+  99 - HN    GLY  101   3.78 +/- 0.57  83.891% * 87.7595% (0.99   1.43   1.41) =  98.674%  kept
          HA    LEU   40 - HN    GLY  101   5.24 +/- 0.85  12.664% *  7.5007% (0.20   0.61   0.02) =   1.273%  kept
          HA    ASN   35 - HN    GLY  101   6.75 +/- 0.67   3.422% *  1.1435% (0.92   0.02   0.02) =   0.052%
          HA    LEU  123 - HN    GLY  101  18.02 +/- 1.65   0.016% *  0.9919% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  23.72 +/- 1.23   0.002% *  1.1110% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  24.68 +/- 0.54   0.002% *  1.1110% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  20.92 +/- 0.81   0.004% *  0.3824% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.50 +/- 0.18  99.890% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.11 +/- 0.95   0.097% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.00 +/- 1.35   0.010% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  16.93 +/- 1.21   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  18.98 +/- 0.49   0.001% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.04 +/- 1.04   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  18.69 +/- 1.86   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.31 +/- 1.30   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.66, residual support = 37.2:
          HN    LEU  104 - HN    ILE  103   4.61 +/- 0.04  99.942% * 99.3993% (0.49   6.66  37.25) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.12 +/- 0.89   0.058% *  0.6007% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.24 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 22.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.28 +/- 0.11  99.999% * 99.7796% (0.97  10.0   5.96  22.39) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  19.85 +/- 1.96   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  19.10 +/- 0.90   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.37 +/- 1.24   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.86 +/- 1.12   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  28.96 +/- 1.40   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 138.3:
      O   HA    ILE  103 - HN    ILE  103   2.80 +/- 0.07  99.972% * 99.2916% (0.98  10.0   7.00 138.30) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.28 +/- 0.57   0.009% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  13.84 +/- 1.26   0.008% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  17.84 +/- 2.05   0.002% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  14.51 +/- 2.14   0.007% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  21.05 +/- 1.63   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  24.24 +/- 2.01   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  21.94 +/- 1.19   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.15 +/- 1.14   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  30.69 +/- 2.24   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  25.35 +/- 1.57   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.30 +/- 1.72   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.68, residual support = 41.8:
        T HN    ASP- 105 - HN    LEU  104   2.54 +/- 0.44  99.997% * 99.9802% (1.00 10.00   6.68  41.78) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  15.83 +/- 1.33   0.003% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.08, residual support = 4.58:
          HA    LEU   98 - HN    LEU  104   3.27 +/- 0.73 100.000% *100.0000% (0.80   2.08   4.58) = 100.000%  kept
    Distance limit 3.81 A violated in 1 structures by 0.11 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.0, residual support = 37.2:
      O   HA    ILE  103 - HN    LEU  104   2.28 +/- 0.10  99.986% * 99.2645% (0.95  10.0   6.00  37.25) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.34 +/- 0.78   0.007% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.53 +/- 0.71   0.004% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  16.02 +/- 1.33   0.001% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.45 +/- 1.34   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.20 +/- 0.84   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.61 +/- 0.96   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  24.02 +/- 0.87   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.52 +/- 1.51   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.69 +/- 2.17   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.52 +/- 0.64   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.00 +/- 1.56   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.19, residual support = 54.4:
        T HN    PHE   97 - HN    ASP- 105   3.61 +/- 0.50  99.892% * 99.7623% (0.73 10.00   4.19  54.43) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.33 +/- 0.70   0.093% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.63 +/- 0.54   0.014% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  28.63 +/- 1.50   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 1 structures by 0.10 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.68, residual support = 41.8:
        T HN    LEU  104 - HN    ASP- 105   2.54 +/- 0.44  99.995% * 99.9822% (0.87 10.00   6.68  41.78) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  14.13 +/- 0.60   0.005% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 135.8:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.90 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.18 135.78) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 22.0:
      O   HA    ASP- 105 - HN    LYS+ 106   2.47 +/- 0.05  99.999% * 99.6913% (0.92  10.0   3.49  22.02) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.38 +/- 1.29   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  21.75 +/- 1.40   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  23.87 +/- 1.38   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.74 +/- 0.74   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.43, residual support = 42.9:
      O   HA    ASP- 105 - HN    ASP- 105   2.89 +/- 0.03  99.998% * 99.6913% (0.92  10.0   4.43  42.93) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  21.31 +/- 1.45   0.001% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  20.94 +/- 1.48   0.001% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  22.98 +/- 1.36   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.79 +/- 0.83   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.361, support = 6.15, residual support = 39.2:
      O   HA    LEU  104 - HN    ASP- 105   3.60 +/- 0.10  80.271% * 76.3011% (0.34  10.0   6.37  41.78) =  93.353%  kept
          HA    ILE  103 - HN    ASP- 105   4.67 +/- 0.47  19.552% * 22.3012% (0.65   1.0   3.08   2.39) =   6.646%  kept
          HA    ASP-  44 - HN    ASP- 105  10.60 +/- 0.47   0.129% *  0.1868% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  16.97 +/- 1.44   0.008% *  0.1791% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.57 +/- 0.43   0.029% *  0.0498% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  18.84 +/- 1.43   0.004% *  0.1709% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.92 +/- 1.01   0.003% *  0.1709% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.54 +/- 1.18   0.001% *  0.1624% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.31 +/- 1.34   0.000% *  0.1868% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  24.25 +/- 0.81   0.001% *  0.0622% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.16 +/- 1.96   0.000% *  0.1940% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.07 +/- 0.65   0.001% *  0.0345% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.32:
          QD    PHE   97 - HN    VAL  107   5.48 +/- 0.92  97.454% * 98.5222% (0.87   1.50   2.33) =  99.969%  kept
          HZ3   TRP   87 - HN    VAL  107  11.32 +/- 1.11   2.453% *  1.2126% (0.80   0.02   0.02) =   0.031%
          HE3   TRP   49 - HN    VAL  107  18.83 +/- 1.46   0.093% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 10 structures by 1.15 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.8:
      O   HA    LYS+ 106 - HN    VAL  107   2.23 +/- 0.05 100.000% *100.0000% (0.98  10.0   4.58  26.81) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 58.2:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.763% * 99.7406% (0.95  10.0   3.66  58.23) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.37 +/- 0.80   0.213% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  13.32 +/- 1.32   0.014% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.04 +/- 0.42   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.58 +/- 0.75   0.007% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 54.4:
          QD    PHE   97 - HN    ASP- 105   3.41 +/- 0.73  99.668% * 99.5894% (0.87   5.46  54.43) =  99.999%  kept
          HZ3   TRP   87 - HN    ASP- 105  10.60 +/- 1.52   0.330% *  0.3369% (0.80   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    ASP- 105  25.28 +/- 1.48   0.001% *  0.0737% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   4.38 +/- 0.71  79.184% * 19.2756% (0.26   0.02   0.02) =  74.262%  kept
          HA    MET   92 - HN    GLY  109   6.09 +/- 1.39  20.761% * 25.3346% (0.34   0.02   0.02) =  25.591%  kept
          HA    LYS+  74 - HN    GLY  109  15.03 +/- 0.84   0.054% * 55.3898% (0.74   0.02   0.02) =   0.147%
    Distance limit 4.32 A violated in 2 structures by 0.19 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.484, support = 2.23, residual support = 8.22:
      O   HA    VAL  108 - HN    GLY  109   2.23 +/- 0.03  78.268% * 31.6430% (0.34  10.0   2.33   7.64) =  62.603%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.81 +/- 0.24  21.720% * 68.1141% (0.73  10.0   2.07   9.18) =  37.397%  kept
          HA    CYS   50 - HN    GLY  109  11.55 +/- 1.46   0.005% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  11.36 +/- 1.07   0.005% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.60 +/- 1.25   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.70 +/- 0.92   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  22.20 +/- 0.53   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.11:
          HN    LYS+ 111 - HN    ALA  110   3.22 +/- 0.56  98.311% * 97.3112% (0.90   3.04   9.12) =  99.988%  kept
          HN    ILE   56 - HN    ALA  110   7.66 +/- 2.53   1.654% *  0.6990% (0.98   0.02   5.72) =   0.012%
          HN    LEU   63 - HN    ALA  110  13.86 +/- 2.05   0.021% *  0.6582% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  16.62 +/- 1.16   0.007% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  17.11 +/- 1.00   0.005% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  22.52 +/- 1.02   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  31.32 +/- 1.50   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.692, support = 2.02, residual support = 6.08:
      O   HA1   GLY  109 - HN    ALA  110   3.42 +/- 0.32  55.091% * 93.8842% (0.69  10.0   2.07   6.38) =  95.238%  kept
          HA    VAL  108 - HN    ALA  110   3.90 +/- 1.00  44.777% *  5.7754% (0.80   1.0   1.06   0.02) =   4.762%  kept
          HA    CYS   50 - HN    ALA  110  10.87 +/- 1.81   0.077% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  11.57 +/- 1.50   0.046% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  15.10 +/- 1.62   0.009% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  22.73 +/- 1.36   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.59:
      O   HA    ALA  110 - HN    ALA  110   2.30 +/- 0.14  99.487% * 98.1886% (0.18  10.0   2.74   9.59) =  99.998%  kept
          HA    VAL  107 - HN    ALA  110   6.66 +/- 0.81   0.197% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    ALA  110   8.90 +/- 1.47   0.135% *  0.5594% (1.00   1.0   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ALA  110   8.17 +/- 1.89   0.181% *  0.1912% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  21.58 +/- 1.12   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 27.9:
        T HN    LYS+ 112 - HN    LYS+ 111   4.32 +/- 0.12  99.873% * 99.8172% (0.99 10.00   5.34  27.89) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  13.84 +/- 0.99   0.099% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  19.46 +/- 1.18   0.013% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  18.85 +/- 1.08   0.016% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  38.33 +/- 2.36   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.30 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   3.22 +/- 0.56  99.917% * 99.9053% (1.00 10.00   3.04   9.12) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.24 +/- 1.07   0.083% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.824, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.38 +/- 0.97  48.497% * 58.2608% (1.00   0.02   0.02) =  72.692%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.33 +/- 1.25  32.482% * 19.8732% (0.34   0.02   0.02) =  16.607%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.26 +/- 0.91  19.022% * 21.8659% (0.38   0.02   0.02) =  10.701%  kept
    Distance limit 4.39 A violated in 20 structures by 5.59 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.12:
      O   HA    ALA  110 - HN    LYS+ 111   2.72 +/- 0.29  98.463% * 99.3312% (0.45  10.0   3.04   9.12) =  99.997%  kept
          HA    VAL  107 - HN    LYS+ 111   5.89 +/- 0.96   1.428% *  0.2138% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ALA   91 - HN    LYS+ 111  11.67 +/- 1.48   0.030% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111   9.64 +/- 1.10   0.073% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  14.65 +/- 1.16   0.005% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  22.99 +/- 1.06   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 27.9:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.24 +/- 0.14  99.980% * 99.8075% (0.53  10.0   7.10  27.89) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.41 +/- 0.53   0.019% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.57 +/- 1.21   0.001% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.66, residual support = 23.3:
        T HN    GLU- 114 - HN    ASP- 113   2.58 +/- 0.14  96.862% * 99.7300% (0.81 10.00   4.66  23.28) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.64 +/- 0.27   2.979% *  0.0946% (0.76  1.00   0.02   1.50) =   0.003%
          HN    THR  118 - HN    ASP- 113   7.69 +/- 0.31   0.148% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.10 +/- 0.75   0.010% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  23.70 +/- 0.85   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.66, residual support = 23.3:
        T HN    ASP- 113 - HN    GLU- 114   2.58 +/- 0.14 100.000% *100.0000% (1.00 10.00   4.66  23.28) = 100.000%  kept
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 3.58, residual support = 43.6:
      O   HA    GLU- 114 - HN    GLU- 114   2.80 +/- 0.04  97.334% * 99.6055% (0.97  10.0   3.58  43.63) =  99.999%  kept
          HA    LEU  115 - HN    GLU- 114   5.13 +/- 0.14   2.647% *  0.0543% (0.53   1.0   0.02  15.25) =   0.001%
          HA    CYS   53 - HN    GLU- 114  11.99 +/- 0.83   0.018% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.88 +/- 0.89   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.81 +/- 0.64   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.92 +/- 0.71   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  27.15 +/- 0.89   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.18, residual support = 4.53:
          HA    LYS+ 111 - HN    ASP- 113   3.65 +/- 0.33  99.465% * 99.1966% (0.74   2.18   4.53) =  99.998%  kept
          HA    PRO   52 - HN    ASP- 113  11.98 +/- 1.30   0.293% *  0.3580% (0.29   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    ASP- 113  10.20 +/- 0.48   0.233% *  0.2617% (0.21   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  18.55 +/- 1.29   0.009% *  0.1838% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.42, residual support = 14.3:
      O   HA    ASP- 113 - HN    ASP- 113   2.79 +/- 0.05  99.870% * 99.6702% (0.85  10.0   3.42  14.27) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.08 +/- 0.78   0.094% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  10.95 +/- 1.10   0.033% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.53 +/- 0.51   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  22.83 +/- 0.82   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  20.88 +/- 1.45   0.001% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.52 +/- 0.73   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.929, support = 7.58, residual support = 86.1:
        T HN    GLN  116 - HN    LEU  115   2.70 +/- 0.11  42.957% * 85.3135% (0.99 10.00   8.10 101.62) =  82.021%  kept
          HN    GLU- 114 - HN    LEU  115   2.58 +/- 0.16  55.385% * 14.5021% (0.65  1.00   5.21  15.25) =  17.976%  kept
          HN    THR  118 - HN    LEU  115   4.67 +/- 0.21   1.635% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115   9.60 +/- 0.56   0.022% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  20.05 +/- 0.68   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.53 +/- 0.85   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.1, residual support = 101.6:
        T HN    LEU  115 - HN    GLN  116   2.70 +/- 0.11  99.992% * 99.8619% (0.98 10.00   8.10 101.62) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.29 +/- 0.69   0.008% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  32.74 +/- 1.75   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.5, residual support = 27.4:
        T HN    SER  117 - HN    GLN  116   2.67 +/- 0.17  99.999% * 99.8966% (0.97 10.00   5.50  27.35) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  20.91 +/- 0.90   0.000% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  26.84 +/- 1.36   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 4.26, residual support = 17.1:
        T HN    GLN  116 - HN    SER  117   2.67 +/- 0.17  51.294% * 50.9371% (0.99 10.00   5.50  27.35) =  53.352%  kept
        T HN    THR  118 - HN    SER  117   2.70 +/- 0.14  46.990% * 48.6147% (0.95 10.00   2.85   5.32) =  46.647%  kept
          HN    GLU- 114 - HN    SER  117   4.70 +/- 0.24   1.708% *  0.0332% (0.65  1.00   0.02   0.02) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.54 +/- 0.56   0.008% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  19.65 +/- 0.66   0.000% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.44 +/- 0.87   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.93, residual support = 115.2:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.996% * 99.8063% (0.95  10.0   1.93 115.15) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116  10.01 +/- 1.29   0.004% *  0.1056% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  16.68 +/- 1.53   0.000% *  0.0576% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.01 +/- 2.42   0.000% *  0.0304% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.93, residual support = 115.2:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.828% * 99.7477% (0.90  10.0 10.00   1.93 115.15) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   5.78 +/- 1.32   0.168% *  0.1090% (0.98   1.0  1.00   0.02   0.24) =   0.000%
          HN    ALA   57 - HE22  GLN  116  12.98 +/- 2.26   0.001% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  10.96 +/- 2.02   0.003% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  27.65 +/- 2.47   0.000% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.65 +/- 0.22  97.538% * 91.8913% (1.00   0.75   1.50) =  99.959%  kept
          HA    PHE   59 - HN    GLN  116   7.78 +/- 0.85   1.451% *  1.4896% (0.61   0.02   0.02) =   0.024%
          HA    ILE   56 - HN    GLN  116   8.24 +/- 0.63   0.916% *  1.4896% (0.61   0.02   0.02) =   0.015%
          HA    LEU  123 - HN    GLN  116  12.11 +/- 0.59   0.084% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  19.14 +/- 0.85   0.005% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  20.24 +/- 1.37   0.004% *  0.3789% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.95 +/- 0.70   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.03, residual support = 115.2:
      O   HA    GLN  116 - HN    GLN  116   2.78 +/- 0.06  99.996% * 99.5202% (1.00  10.0   7.03 115.15) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  19.25 +/- 0.93   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  18.13 +/- 0.85   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  19.57 +/- 0.93   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  21.63 +/- 1.39   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.45 +/- 0.82   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.11 +/- 0.66   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  28.13 +/- 1.06   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  29.84 +/- 0.77   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.953, support = 7.3, residual support = 201.2:
      O   HA    LEU  115 - HN    LEU  115   2.79 +/- 0.03  81.624% * 60.5049% (1.00  10.0   7.66 228.38) =  87.269%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.04  18.366% * 39.2280% (0.65  10.0   4.85  15.25) =  12.731%  kept
          HA    ARG+  54 - HN    LEU  115  13.42 +/- 0.81   0.007% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.52 +/- 0.42   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.46 +/- 0.68   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.79 +/- 0.58   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.30 +/- 0.77   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  22.88 +/- 1.70   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.81 +/- 0.77   0.000% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.56, residual support = 15.9:
      O   HA    SER  117 - HN    SER  117   2.77 +/- 0.03  99.991% * 99.4282% (0.38  10.0   3.56  15.91) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.50 +/- 0.98   0.008% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  27.91 +/- 0.85   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  27.91 +/- 1.24   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.55, residual support = 55.0:
        T HN    ILE  119 - HN    ALA  120   2.60 +/- 0.06  99.999% * 99.2864% (0.83 10.00   5.55  55.04) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.24 +/- 0.70   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  21.72 +/- 1.30   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  24.18 +/- 1.08   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.75, residual support = 51.0:
          HN    HIS  122 - HN    LYS+ 121   2.71 +/- 0.02  99.588% * 99.4558% (0.80   6.75  51.00) = 100.000%  kept
          QE    PHE   59 - HN    LYS+ 121   7.09 +/- 0.74   0.400% *  0.0735% (0.20   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+ 121  12.62 +/- 0.92   0.011% *  0.1787% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  19.72 +/- 1.24   0.001% *  0.2920% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.257, support = 5.32, residual support = 31.0:
          HN    LEU  123 - HN    HIS  122   2.13 +/- 0.11  99.884% * 99.5363% (0.26   5.32  31.04) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.58 +/- 0.10   0.116% *  0.1286% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.00 +/- 1.34   0.000% *  0.1759% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  24.26 +/- 1.13   0.000% *  0.1592% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.32, residual support = 31.0:
          HN    HIS  122 - HN    LEU  123   2.13 +/- 0.11  99.975% * 99.0446% (0.87   5.32  31.04) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   9.06 +/- 0.80   0.023% *  0.2260% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.71 +/- 0.69   0.001% *  0.3853% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  21.27 +/- 1.60   0.000% *  0.3440% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.3:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.01  99.994% * 99.5133% (1.00  10.0   4.10  12.26) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  15.75 +/- 1.80   0.001% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  15.30 +/- 2.15   0.002% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.21 +/- 0.55   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.49 +/- 0.85   0.000% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  17.23 +/- 0.81   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  18.21 +/- 1.82   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  22.77 +/- 2.12   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  22.03 +/- 2.02   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.81, residual support = 9.24:
      O   HA    ALA  124 - HN    ALA  124   2.73 +/- 0.19  99.993% * 99.5733% (1.00  10.0   1.81   9.24) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.52 +/- 0.57   0.005% *  0.0494% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  23.83 +/- 1.12   0.000% *  0.1064% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  20.41 +/- 1.99   0.001% *  0.0340% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  25.26 +/- 2.28   0.000% *  0.0757% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  21.29 +/- 1.78   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.06 +/- 1.71   0.000% *  0.0536% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.34 +/- 1.59   0.000% *  0.0882% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 31.0:
      O   HA    HIS  122 - HN    LEU  123   3.39 +/- 0.04  99.981% * 99.8702% (1.00  10.0   4.26  31.04) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  15.01 +/- 1.23   0.015% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.01 +/- 0.72   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.60 +/- 0.89   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.95, residual support = 200.3:
      O   HA    LEU  123 - HN    LEU  123   2.83 +/- 0.04  99.958% * 99.5133% (1.00  10.0   5.95 200.30) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  13.72 +/- 1.36   0.010% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  12.71 +/- 0.44   0.012% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  13.72 +/- 1.54   0.010% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.53 +/- 0.82   0.004% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  15.46 +/- 0.80   0.004% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  21.55 +/- 1.50   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  18.54 +/- 1.09   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  23.33 +/- 1.43   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.62, residual support = 69.9:
          HD2   HIS  122 - HN    HIS  122   3.09 +/- 0.22  99.759% * 97.1904% (0.11   6.62  69.94) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   9.16 +/- 1.55   0.239% *  0.3245% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  21.21 +/- 1.25   0.001% *  0.9326% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  27.25 +/- 2.14   0.000% *  0.7271% (0.27   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  28.92 +/- 0.97   0.000% *  0.8253% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.23, residual support = 69.9:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.02  99.988% * 99.8131% (0.30  10.0   5.23  69.94) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  13.66 +/- 0.97   0.010% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.29 +/- 0.64   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.561, support = 5.68, residual support = 234.4:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  79.960% * 38.4533% (0.49  10.0   6.37 316.18) =  73.973%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.55 +/- 0.01  17.681% * 61.1842% (0.77  10.0   3.70   2.14) =  26.026%  kept
          QB    SER  117 - HN    LYS+ 121   5.04 +/- 0.35   2.352% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  14.90 +/- 1.10   0.004% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.78 +/- 0.76   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.04 +/- 1.21   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  24.50 +/- 1.13   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  24.36 +/- 0.93   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.92 +/- 1.13   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.95 +/- 1.04   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  24.10 +/- 1.40   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.38 +/- 1.00   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.739, support = 3.61, residual support = 14.4:
      O   HA    ALA  120 - HN    ALA  120   2.80 +/- 0.04  94.402% * 99.2369% (0.74  10.0   3.61  14.36) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.11 +/- 0.11   2.582% *  0.0465% (0.35   1.0   0.02   2.14) =   0.001%
          QB    SER  117 - HN    ALA  120   4.99 +/- 0.15   3.004% *  0.0168% (0.12   1.0   0.02   6.28) =   0.001%
          HA    LYS+  65 - HN    ALA  120  13.96 +/- 1.00   0.007% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  17.68 +/- 1.16   0.002% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.61 +/- 0.67   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.52 +/- 1.06   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.81 +/- 1.04   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.46 +/- 0.85   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  22.23 +/- 1.05   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  24.41 +/- 1.30   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.60 +/- 1.02   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.75 +/- 0.80   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.19, residual support = 12.3:
          HB2   LEU  123 - HN    ALA  124   4.00 +/- 0.40  99.254% * 96.1991% (0.76   4.19  12.26) =  99.997%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.62 +/- 0.15   0.573% *  0.4362% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.16 +/- 1.38   0.115% *  0.4591% (0.76   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    ALA  124  19.32 +/- 2.51   0.022% *  0.5682% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  18.05 +/- 2.27   0.016% *  0.5682% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  22.44 +/- 1.18   0.004% *  0.4810% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.48 +/- 0.86   0.005% *  0.2924% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  21.66 +/- 1.65   0.005% *  0.1498% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  22.15 +/- 1.40   0.004% *  0.1189% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  28.69 +/- 1.59   0.001% *  0.5017% (0.84   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  25.40 +/- 1.28   0.002% *  0.2254% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.15 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.81, residual support = 9.24:
      O   QB    ALA  124 - HN    ALA  124   2.16 +/- 0.27  99.991% * 98.5526% (0.65  10.0   1.81   9.24) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.56 +/- 1.13   0.003% *  0.0631% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  14.42 +/- 1.75   0.002% *  0.0952% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  14.61 +/- 1.57   0.002% *  0.0952% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  18.18 +/- 0.76   0.000% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.01 +/- 1.27   0.000% *  0.1286% (0.76   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.08 +/- 1.46   0.000% *  0.1286% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  18.95 +/- 1.25   0.000% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  21.01 +/- 2.47   0.000% *  0.1156% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.40 +/- 1.57   0.000% *  0.1509% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  21.82 +/- 1.34   0.000% *  0.1088% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  23.62 +/- 2.45   0.000% *  0.0819% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  25.41 +/- 1.38   0.000% *  0.1459% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  21.46 +/- 2.10   0.000% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  25.36 +/- 1.92   0.000% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  29.51 +/- 1.83   0.000% *  0.0468% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.984, support = 3.53, residual support = 24.0:
          HA    ALA  120 - HN    LEU  123   2.68 +/- 0.12  90.355% * 66.5474% (0.99   3.60  25.03) =  95.260%  kept
          HA    LYS+ 121 - HN    LEU  123   3.94 +/- 0.09   9.525% * 31.4080% (0.84   2.02   2.29) =   4.740%  kept
          QB    SER  117 - HN    LEU  123   8.25 +/- 0.30   0.108% *  0.1815% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.18 +/- 0.98   0.007% *  0.2562% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  15.91 +/- 1.25   0.002% *  0.2850% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  19.28 +/- 0.88   0.001% *  0.3344% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  26.06 +/- 0.82   0.000% *  0.3599% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.98 +/- 0.96   0.000% *  0.2850% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  26.56 +/- 1.28   0.000% *  0.2850% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  24.24 +/- 1.00   0.000% *  0.0575% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 4.69, residual support = 30.7:
          HB3   HIS  122 - HN    LEU  123   3.78 +/- 0.45  93.550% * 84.6118% (0.99   4.74  31.04) =  98.788%  kept
          QE    LYS+ 121 - HN    LEU  123   6.75 +/- 1.01   6.447% * 15.0637% (0.76   1.09   2.29) =   1.212%  kept
          HG2   GLN   30 - HN    LEU  123  23.54 +/- 0.88   0.002% *  0.1002% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.52 +/- 1.15   0.001% *  0.1755% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  27.13 +/- 1.20   0.001% *  0.0488% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 200.3:
          HG    LEU  123 - HN    LEU  123   3.59 +/- 0.16  95.467% * 96.6343% (0.76   5.52 200.30) =  99.993%  kept
          QB    LYS+  66 - HN    LEU  123   6.75 +/- 1.12   3.734% *  0.0907% (0.20   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    LEU  123   9.15 +/- 0.63   0.423% *  0.3504% (0.76   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    LEU  123  11.34 +/- 2.26   0.269% *  0.3977% (0.87   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LEU  123  13.10 +/- 0.63   0.043% *  0.2055% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  16.51 +/- 1.45   0.016% *  0.3830% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.04 +/- 1.08   0.014% *  0.2232% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.34 +/- 1.55   0.013% *  0.1564% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  20.82 +/- 1.04   0.003% *  0.2966% (0.65   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  16.44 +/- 1.32   0.013% *  0.0620% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  23.11 +/- 1.44   0.001% *  0.3671% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  22.81 +/- 1.04   0.002% *  0.3504% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  27.25 +/- 1.52   0.001% *  0.2596% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  27.95 +/- 1.16   0.000% *  0.2232% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.14 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.85, residual support = 200.3:
      O   HB2   LEU  123 - HN    LEU  123   2.41 +/- 0.46  97.974% * 99.1788% (0.76  10.0   5.85 200.30) =  99.998%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.08 +/- 0.09   2.011% *  0.0942% (0.73   1.0   0.02   2.29) =   0.002%
          QD    LYS+  65 - HN    LEU  123  13.42 +/- 1.18   0.007% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  16.84 +/- 2.09   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  17.52 +/- 1.73   0.002% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  18.61 +/- 1.25   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.42 +/- 0.87   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.43 +/- 1.18   0.001% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.36 +/- 1.25   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.77 +/- 1.18   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  25.40 +/- 1.19   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.07 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.893, support = 6.38, residual support = 200.3:
          QD1   LEU  123 - HN    LEU  123   2.31 +/- 0.32  96.712% * 85.1299% (0.90   6.38 200.30) =  99.472%  kept
          QD2   LEU  123 - HN    LEU  123   4.21 +/- 0.10   3.145% * 13.8900% (0.15   6.05 200.30) =   0.528%  kept
          QG1   VAL   70 - HN    LEU  123   8.60 +/- 0.96   0.057% *  0.2043% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU  123  10.39 +/- 1.24   0.025% *  0.2948% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.08 +/- 1.06   0.059% *  0.0459% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  15.51 +/- 1.40   0.002% *  0.2667% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  14.54 +/- 1.16   0.002% *  0.1684% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.244, support = 6.49, residual support = 35.1:
      O   HA    LYS+ 121 - HN    HIS  122   3.51 +/- 0.03  51.024% * 65.9079% (0.20  10.0   6.70  51.00) =  67.543%  kept
          HA    ALA  120 - HN    HIS  122   3.55 +/- 0.18  48.343% * 33.4269% (0.33   1.0   6.07   1.96) =  32.456%  kept
          QB    SER  117 - HN    HIS  122   7.39 +/- 0.29   0.598% *  0.0290% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.12 +/- 1.22   0.021% *  0.1075% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  15.85 +/- 1.31   0.007% *  0.1123% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  17.36 +/- 0.84   0.004% *  0.0753% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  24.75 +/- 1.24   0.000% *  0.1123% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  24.66 +/- 0.82   0.000% *  0.0890% (0.27   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.84 +/- 1.01   0.001% *  0.0397% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.82 +/- 0.94   0.000% *  0.0567% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.73 +/- 1.21   0.001% *  0.0230% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  24.74 +/- 1.52   0.000% *  0.0204% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 4.58, residual support = 12.4:
          HA    ILE  119 - HN    HIS  122   3.67 +/- 0.19  87.771% * 53.4538% (0.27   4.54  13.52) =  89.352%  kept
          HA    THR  118 - HN    HIS  122   5.17 +/- 0.20  12.196% * 45.8421% (0.21   4.91   2.93) =  10.648%  kept
          HD3   PRO   58 - HN    HIS  122  15.02 +/- 0.83   0.021% *  0.0856% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.92 +/- 0.94   0.007% *  0.0950% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.14 +/- 0.70   0.003% *  0.1620% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  22.84 +/- 1.28   0.002% *  0.1499% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.56 +/- 1.06   0.001% *  0.2115% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.35, residual support = 69.9:
      O   HB2   HIS  122 - HN    HIS  122   3.64 +/- 0.05  98.177% * 99.5910% (0.11  10.0   5.35  69.94) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.53 +/- 1.06   1.769% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  12.88 +/- 0.71   0.053% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  27.62 +/- 0.87   0.001% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.325, support = 6.17, residual support = 69.8:
      O   HB3   HIS  122 - HN    HIS  122   2.62 +/- 0.24  96.449% * 82.7395% (0.33  10.0   6.17  69.94) =  99.241%  kept
          QE    LYS+ 121 - HN    HIS  122   5.64 +/- 1.11   3.551% * 17.1868% (0.21   1.0   6.32  51.00) =   0.759%  kept
          HG2   GLN   30 - HN    HIS  122  22.23 +/- 0.69   0.000% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  27.89 +/- 1.10   0.000% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.318, support = 7.22, residual support = 49.0:
          HB2   LYS+ 121 - HN    HIS  122   3.41 +/- 0.16  76.469% * 72.2935% (0.33   7.43  51.00) =  89.859%  kept
          HB2   LEU  123 - HN    HIS  122   4.31 +/- 0.56  23.450% * 26.6029% (0.17   5.31  31.04) =  10.140%  kept
          QD    LYS+  65 - HN    HIS  122  13.48 +/- 1.17   0.024% *  0.1985% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  15.48 +/- 1.88   0.015% *  0.1494% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  16.84 +/- 1.52   0.006% *  0.2039% (0.35   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  17.08 +/- 1.25   0.005% *  0.1082% (0.19   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  15.03 +/- 0.73   0.011% *  0.0360% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.26 +/- 0.86   0.007% *  0.0513% (0.09   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  18.37 +/- 1.26   0.004% *  0.0846% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.73 +/- 0.96   0.006% *  0.0317% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  23.50 +/- 1.13   0.001% *  0.2039% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.67 +/- 1.21   0.002% *  0.0360% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (1.52, 7.24, 114.00 ppm):
    9 chemical-shift based assignments, quality = 0.307, support = 6.53, residual support = 51.0:
          HB3   LYS+ 121 - HN    HIS  122   3.88 +/- 0.31  64.238% * 67.6352% (0.35   6.39  51.00) =  80.351%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.64 +/- 1.14  33.832% * 31.3937% (0.15   7.07  51.00) =  19.643%  kept
          QD    LYS+  66 - HN    HIS  122   8.11 +/- 1.79   1.668% *  0.1729% (0.28   0.02   0.02) =   0.005%
          HG    LEU  104 - HN    HIS  122  10.39 +/- 1.23   0.196% *  0.2116% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  14.08 +/- 0.94   0.023% *  0.1993% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  13.86 +/- 1.32   0.033% *  0.0736% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.52 +/- 0.96   0.005% *  0.1936% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.15 +/- 0.51   0.003% *  0.0600% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  21.86 +/- 1.89   0.002% *  0.0600% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.36, residual support = 31.0:
          QD1   LEU  123 - HN    HIS  122   3.15 +/- 0.35  98.099% * 98.4995% (0.31   6.36  31.04) =  99.995%  kept
          HB3   LEU   63 - HN    HIS  122   7.95 +/- 1.07   0.826% *  0.2309% (0.23   0.02   0.02) =   0.002%
          QG1   VAL   70 - HN    HIS  122   8.08 +/- 0.83   0.480% *  0.3537% (0.35   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    HIS  122   8.71 +/- 1.27   0.546% *  0.1878% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    HIS  122  13.64 +/- 1.17   0.024% *  0.3561% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    HIS  122  14.74 +/- 1.19   0.013% *  0.3096% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.60 +/- 0.52   0.012% *  0.0625% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.538, support = 2.7, residual support = 6.15:
          HA    THR  118 - HN    LYS+ 121   3.39 +/- 0.16  73.236% * 34.0294% (0.49   2.23   8.40) =  58.978%  kept
          HA    ILE  119 - HN    LYS+ 121   4.03 +/- 0.10  26.742% * 64.8197% (0.61   3.37   2.92) =  41.022%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.53 +/- 0.92   0.012% *  0.1399% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.22 +/- 0.99   0.007% *  0.1553% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  21.75 +/- 0.70   0.001% *  0.2648% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  22.65 +/- 1.15   0.001% *  0.2450% (0.39   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.78 +/- 1.21   0.000% *  0.3457% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.758, support = 6.93, residual support = 316.2:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.22 +/- 0.37  98.950% * 99.3852% (0.76  10.0   6.93 316.18) =  99.999%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.04 +/- 0.62   1.038% *  0.0511% (0.39   1.0   0.02   2.29) =   0.001%
          QD    LYS+  65 - HN    LYS+ 121  14.79 +/- 1.19   0.002% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.06 +/- 1.69   0.001% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  15.89 +/- 1.50   0.001% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  18.55 +/- 1.38   0.001% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.00 +/- 0.95   0.002% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.43 +/- 0.95   0.002% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.86 +/- 0.83   0.002% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  19.06 +/- 1.35   0.000% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  23.81 +/- 1.00   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.42 +/- 1.31   0.001% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.495, support = 5.06, residual support = 206.4:
          HD2   LYS+ 121 - HN    LYS+ 121   3.51 +/- 0.61  27.514% * 81.8747% (0.64   5.91 316.18) =  65.039%  kept
          QB    ALA  120 - HN    LYS+ 121   2.86 +/- 0.05  72.276% * 16.7540% (0.22   3.48   2.14) =  34.960%  kept
          QD    LYS+  66 - HN    LYS+ 121   9.54 +/- 1.67   0.089% *  0.1422% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   8.83 +/- 0.88   0.105% *  0.0962% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.92 +/- 1.05   0.010% *  0.1684% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.28 +/- 1.33   0.004% *  0.3001% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  20.44 +/- 0.92   0.001% *  0.3451% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.38 +/- 0.46   0.000% *  0.3193% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.89, residual support = 316.2:
          HG2   LYS+ 121 - HN    LYS+ 121   3.78 +/- 0.41  93.868% * 99.0741% (0.77   5.89 316.18) =  99.992%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.32 +/- 0.48   1.081% *  0.3453% (0.79   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    LYS+ 121   6.29 +/- 0.20   5.003% *  0.0689% (0.16   0.02   2.92) =   0.004%
          HG13  ILE  103 - HN    LYS+ 121  14.33 +/- 0.97   0.040% *  0.2253% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.08 +/- 1.07   0.005% *  0.2253% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  21.76 +/- 1.06   0.003% *  0.0610% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.11 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 2.19, residual support = 2.29:
          QD1   LEU  123 - HN    LYS+ 121   4.43 +/- 0.08  87.039% * 90.0588% (0.72   2.20   2.29) =  99.190%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.48 +/- 0.09   8.914% *  6.9388% (0.12   0.99   2.29) =   0.783%  kept
          HB3   LEU  104 - HN    LYS+ 121   9.17 +/- 1.17   1.581% *  0.9030% (0.79   0.02   0.02) =   0.018%
          QG1   VAL   70 - HN    LYS+ 121  10.05 +/- 0.78   0.710% *  0.6258% (0.55   0.02   0.02) =   0.006%
          HB3   LEU   63 - HN    LYS+ 121   9.15 +/- 1.11   1.643% *  0.1406% (0.12   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LYS+ 121  14.65 +/- 1.14   0.078% *  0.5158% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LYS+ 121  16.51 +/- 1.09   0.036% *  0.8171% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.25 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.03, residual support = 55.0:
          HB    ILE  119 - HN    ALA  120   2.64 +/- 0.16  99.963% * 97.4773% (0.90   5.03  55.04) = 100.000%  kept
          HB2   LYS+ 111 - HN    ALA  120  11.05 +/- 0.67   0.021% *  0.1219% (0.28   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.34 +/- 0.77   0.005% *  0.3300% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  14.60 +/- 1.58   0.004% *  0.1771% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  15.81 +/- 1.47   0.003% *  0.2396% (0.56   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  20.50 +/- 1.42   0.001% *  0.3942% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  19.23 +/- 1.07   0.001% *  0.3019% (0.71   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  22.48 +/- 0.85   0.000% *  0.3872% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.18 +/- 1.00   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  18.93 +/- 1.36   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.11 +/- 1.28   0.000% *  0.3737% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.06, residual support = 14.4:
      O   QB    ALA  120 - HN    ALA  120   2.12 +/- 0.05  99.318% * 99.1734% (0.49  10.0   4.06  14.36) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.46 +/- 0.82   0.496% *  0.0992% (0.49   1.0   0.02   2.14) =   0.000%
          HG    LEU  115 - HN    ALA  120   6.91 +/- 1.01   0.124% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   8.50 +/- 1.63   0.049% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  11.09 +/- 2.37   0.010% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.05 +/- 1.38   0.002% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  14.27 +/- 1.24   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.92 +/- 0.78   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.52 +/- 0.55   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.63, residual support = 55.0:
          QG2   ILE  119 - HN    ALA  120   3.40 +/- 0.21  99.064% * 96.6193% (0.49   5.63  55.04) =  99.995%  kept
          QD1   LEU   67 - HN    ALA  120   8.86 +/- 2.18   0.726% *  0.5220% (0.74   0.02   0.02) =   0.004%
          QD2   LEU   40 - HN    ALA  120  10.78 +/- 0.89   0.117% *  0.4982% (0.71   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    ALA  120  12.00 +/- 0.81   0.060% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.69 +/- 0.93   0.018% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.36 +/- 0.66   0.009% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.49 +/- 1.06   0.003% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  19.32 +/- 0.86   0.003% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.87, residual support = 15.9:
      O   QB    SER  117 - HN    SER  117   2.15 +/- 0.08  99.871% * 97.2780% (0.25  10.0   2.87  15.91) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.12 +/- 0.37   0.081% *  0.3690% (0.95   1.0   0.02   6.28) =   0.000%
          HA    LYS+ 121 - HN    SER  117   7.88 +/- 0.52   0.046% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  15.28 +/- 0.97   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.20 +/- 0.82   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.35 +/- 1.50   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  21.26 +/- 1.10   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  20.19 +/- 1.45   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  22.28 +/- 1.35   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  23.76 +/- 1.23   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  22.76 +/- 1.44   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.77 +/- 0.77   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.373, support = 5.11, residual support = 27.4:
          HG3   GLN  116 - HN    SER  117   5.00 +/- 0.43  39.755% * 69.0992% (0.49   4.99  27.35) =  60.685%  kept
          HG2   GLN  116 - HN    SER  117   4.66 +/- 0.84  59.559% * 29.8790% (0.20   5.31  27.35) =  39.313%  kept
          HB3   PHE   95 - HN    SER  117  10.34 +/- 0.77   0.667% *  0.1419% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  18.75 +/- 1.22   0.018% *  0.3221% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  32.36 +/- 0.78   0.001% *  0.5577% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.34 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 27.4:
          HB2   GLN  116 - HN    SER  117   3.11 +/- 0.30  99.930% * 98.7650% (0.97   4.86  27.35) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  12.30 +/- 0.89   0.034% *  0.4213% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  12.48 +/- 1.25   0.035% *  0.3059% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.05 +/- 0.87   0.001% *  0.3778% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.49 +/- 1.02   0.000% *  0.1300% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.06, residual support = 115.2:
          HG2   GLN  116 - HN    GLN  116   3.30 +/- 0.33  99.773% * 99.4081% (0.73   7.06 115.15) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116   9.67 +/- 0.75   0.227% *  0.3104% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  31.65 +/- 0.89   0.000% *  0.2815% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 115.2:
      O   HB2   GLN  116 - HN    GLN  116   2.09 +/- 0.07  99.988% * 99.6757% (0.98  10.0   7.63 115.15) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.28 +/- 1.22   0.010% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.00 +/- 0.95   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.21 +/- 0.77   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  24.23 +/- 1.25   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.48 +/- 0.68   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.796, support = 7.39, residual support = 97.2:
          HB2   LEU  115 - HN    GLN  116   3.38 +/- 0.28  86.942% * 68.7822% (0.80   7.55 101.62) =  95.593%  kept
          QB    GLU- 114 - HN    GLN  116   5.04 +/- 0.28   9.086% * 30.3226% (0.69   3.88   0.30) =   4.404%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.16 +/- 0.77   3.849% *  0.0351% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLN  116  10.83 +/- 0.93   0.097% *  0.1900% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.54 +/- 1.51   0.012% *  0.0935% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  18.87 +/- 1.43   0.003% *  0.1900% (0.84   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  17.57 +/- 1.36   0.006% *  0.0450% (0.20   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.62 +/- 0.88   0.001% *  0.1739% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  20.46 +/- 1.18   0.002% *  0.0450% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  21.05 +/- 0.91   0.002% *  0.0450% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  30.52 +/- 1.18   0.000% *  0.0776% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.10 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.79, support = 8.33, residual support = 101.0:
          HG    LEU  115 - HN    GLN  116   3.13 +/- 0.84  76.352% * 40.0495% (0.73   8.46 101.62) =  74.149%  kept
          HB3   LEU  115 - HN    GLN  116   4.15 +/- 0.16  20.010% * 51.9792% (0.98   8.13 101.62) =  25.221%  kept
          QB    ALA  120 - HN    GLN  116   5.81 +/- 0.61   3.507% *  7.4081% (0.73   1.56   0.24) =   0.630%  kept
          QG    LYS+  66 - HN    GLN  116  10.61 +/- 1.28   0.094% *  0.0490% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  14.81 +/- 1.99   0.015% *  0.1305% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.86 +/- 0.89   0.006% *  0.1279% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  15.81 +/- 1.37   0.009% *  0.0290% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  18.15 +/- 1.10   0.004% *  0.0635% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  20.29 +/- 1.26   0.002% *  0.0739% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.38 +/- 1.61   0.001% *  0.0896% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 101.6:
          QD1   LEU  115 - HN    GLN  116   3.77 +/- 0.89  99.978% * 99.6305% (0.49   7.61 101.62) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.49 +/- 1.06   0.022% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 101.6:
          QD2   LEU  115 - HN    GLN  116   2.27 +/- 0.49  99.664% * 98.5889% (0.57  10.00 101.62) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.33 +/- 0.60   0.192% *  0.3125% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   7.82 +/- 0.93   0.134% *  0.2910% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  13.36 +/- 0.84   0.004% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.89 +/- 0.62   0.001% *  0.3125% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.63 +/- 0.61   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  15.45 +/- 0.90   0.002% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.36 +/- 1.90   0.001% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.48 +/- 1.55   0.000% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.721, support = 1.46, residual support = 14.3:
          QD1   ILE  119 - HN    GLN  116   4.50 +/- 0.53  84.095% * 89.2962% (0.73   1.47  14.55) =  98.517%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.33 +/- 0.76  15.022% *  7.4249% (0.38   0.24   0.02) =   1.463%  kept
          QG2   VAL  108 - HN    GLN  116   9.99 +/- 0.41   0.782% *  1.6686% (1.00   0.02   0.02) =   0.017%
          HB2   LEU  104 - HN    GLN  116  14.16 +/- 0.73   0.101% *  1.6103% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.24:
          HA    LYS+ 112 - HN    LEU  115   3.40 +/- 0.33  99.955% * 94.6610% (0.90   0.75   2.24) =  99.999%  kept
          HB2   HIS  122 - HN    LEU  115  13.55 +/- 0.37   0.029% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  15.30 +/- 1.02   0.016% *  2.5243% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.223, support = 5.22, residual support = 101.6:
          HB2   GLN  116 - HN    LEU  115   4.54 +/- 0.12  98.824% * 95.8049% (0.22   5.22 101.62) =  99.988%  kept
          HB2   PRO   58 - HN    LEU  115  11.14 +/- 1.31   0.606% *  1.3196% (0.80   0.02   0.02) =   0.008%
          HG2   PRO   52 - HN    LEU  115  13.62 +/- 1.67   0.315% *  0.7388% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  12.70 +/- 1.00   0.244% *  0.5621% (0.34   0.02   0.02) =   0.001%
          HB2   GLU- 100 - HN    LEU  115  23.23 +/- 0.67   0.006% *  0.2543% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    LEU  115  23.92 +/- 1.19   0.005% *  0.2543% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  31.31 +/- 1.11   0.001% *  1.0661% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.33 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.799, support = 7.31, residual support = 224.2:
      O   HB2   LEU  115 - HN    LEU  115   2.07 +/- 0.13  86.741% * 82.6653% (0.80  10.0   7.36 228.38) =  98.051%  kept
          QB    GLU- 114 - HN    LEU  115   3.17 +/- 0.38   8.415% * 16.9285% (0.69   1.0   4.77  15.25) =   1.948%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.03 +/- 0.89   4.839% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  11.28 +/- 1.08   0.004% *  0.0862% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.47 +/- 1.52   0.000% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  20.30 +/- 1.45   0.000% *  0.0862% (0.84   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  17.67 +/- 1.35   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.52 +/- 0.78   0.000% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  21.02 +/- 1.15   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  21.75 +/- 0.81   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  29.42 +/- 1.23   0.000% *  0.0352% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.947, support = 7.45, residual support = 228.4:
      O   HB3   LEU  115 - HN    LEU  115   3.26 +/- 0.17  64.479% * 77.8246% (0.98  10.0   7.44 228.38) =  86.779%  kept
          HG    LEU  115 - HN    LEU  115   3.74 +/- 0.73  35.108% * 21.7750% (0.73   1.0   7.55 228.38) =  13.220%  kept
          QB    ALA  120 - HN    LEU  115   7.64 +/- 0.46   0.371% *  0.0577% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.17 +/- 1.35   0.026% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  15.82 +/- 1.74   0.006% *  0.0794% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  17.11 +/- 0.78   0.003% *  0.0778% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.59 +/- 0.91   0.002% *  0.0386% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.77 +/- 1.33   0.004% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.80 +/- 1.17   0.001% *  0.0450% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.92 +/- 1.66   0.001% *  0.0545% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.528, support = 1.49, residual support = 6.31:
          QG2   VAL  107 - HN    LEU  115   3.23 +/- 0.54  95.213% * 65.1314% (0.53   1.50   6.30) =  99.238%  kept
          HG13  ILE  119 - HN    LEU  115   7.30 +/- 0.67   1.540% * 30.3168% (0.73   0.51   7.67) =   0.747%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.53 +/- 0.78   3.123% *  0.2547% (0.15   0.02   2.24) =   0.013%
          HG2   LYS+ 121 - HN    LEU  115  11.18 +/- 1.14   0.109% *  1.2615% (0.76   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    LEU  115  19.33 +/- 1.22   0.003% *  1.6470% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.81 +/- 1.18   0.010% *  0.2547% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.22 +/- 0.88   0.001% *  1.1339% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.03, residual support = 228.4:
          QD2   LEU  115 - HN    LEU  115   3.41 +/- 0.57  98.626% * 98.8197% (0.65   9.03 228.38) =  99.998%  kept
          QD1   LEU   63 - HN    LEU  115   7.46 +/- 0.78   1.254% *  0.1044% (0.31   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU  115  13.47 +/- 0.75   0.036% *  0.3035% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  12.82 +/- 0.95   0.064% *  0.1154% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  18.31 +/- 1.14   0.006% *  0.3201% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.19 +/- 1.87   0.006% *  0.2324% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.38 +/- 0.49   0.008% *  0.1044% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.36, residual support = 228.4:
          QD1   LEU  115 - HN    LEU  115   3.76 +/- 0.58  99.968% * 99.6802% (0.80   7.36 228.38) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.19 +/- 0.96   0.032% *  0.3198% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (1.84, 8.62, 122.05 ppm):
    14 chemical-shift based assignments, quality = 0.539, support = 6.74, residual support = 138.3:
      O   HB    ILE  103 - HN    ILE  103   2.13 +/- 0.05  91.133% * 64.9851% (0.53  10.0   6.73 138.30) =  95.152%  kept
          HG12  ILE  103 - HN    ILE  103   3.22 +/- 0.26   8.799% * 34.2961% (0.80   1.0   6.94 138.30) =   4.848%  kept
          HB    VAL   41 - HN    ILE  103   9.08 +/- 1.40   0.023% *  0.0799% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   8.27 +/- 0.83   0.030% *  0.0244% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.41 +/- 0.45   0.013% *  0.0554% (0.45   1.0   0.02   2.39) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.57 +/- 0.77   0.001% *  0.0421% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  16.94 +/- 1.05   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  19.73 +/- 1.26   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  20.59 +/- 1.75   0.000% *  0.0699% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.80 +/- 1.03   0.000% *  0.1211% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  21.02 +/- 2.18   0.000% *  0.0343% (0.28   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.27 +/- 1.97   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.37 +/- 1.17   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.69 +/- 1.11   0.000% *  0.0601% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.23, residual support = 138.3:
          HG13  ILE  103 - HN    ILE  103   4.02 +/- 0.42  99.522% * 98.5436% (0.65   6.23 138.30) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  13.29 +/- 0.47   0.090% *  0.4850% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ILE  103  13.86 +/- 1.23   0.075% *  0.4723% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.30 +/- 1.35   0.276% *  0.0857% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  18.91 +/- 1.00   0.011% *  0.3166% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  16.46 +/- 1.25   0.026% *  0.0968% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.24 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.704, support = 5.95, residual support = 138.3:
          QD1   ILE  103 - HN    ILE  103   2.86 +/- 0.62  74.342% * 27.9667% (0.45   5.59 138.30) =  53.574%  kept
          QG2   ILE  103 - HN    ILE  103   3.55 +/- 0.07  25.340% * 71.1006% (1.00   6.37 138.30) =  46.425%  kept
          QD2   LEU   40 - HN    ILE  103   7.57 +/- 0.61   0.285% *  0.2153% (0.97   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    ILE  103  12.69 +/- 1.50   0.015% *  0.2187% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.54 +/- 1.12   0.008% *  0.1263% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  14.99 +/- 1.04   0.005% *  0.0620% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  15.67 +/- 1.68   0.004% *  0.0917% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  20.21 +/- 1.30   0.001% *  0.2187% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 7.43, residual support = 218.8:
          HG    LEU  104 - HN    LEU  104   3.20 +/- 0.32  97.480% * 87.6398% (0.45   7.45 219.41) =  99.720%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.20 +/- 0.69   2.258% * 10.5877% (0.69   0.59   0.02) =   0.279%
          HB3   LYS+ 121 - HN    LEU  104   9.12 +/- 1.00   0.243% *  0.2354% (0.45   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LEU  104  15.87 +/- 1.66   0.009% *  0.2972% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  17.60 +/- 1.40   0.004% *  0.5203% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  17.78 +/- 1.26   0.004% *  0.3184% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  20.71 +/- 0.96   0.001% *  0.4012% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.271, support = 7.09, residual support = 145.7:
      O   HB2   LEU  104 - HN    LEU  104   2.60 +/- 0.29  42.579% * 65.7299% (0.22  10.0   7.39 219.41) =  59.547%  kept
          QG2   ILE  103 - HN    LEU  104   2.41 +/- 0.34  56.780% * 33.4841% (0.34   1.0   6.65  37.25) =  40.451%  kept
          QD2   LEU   40 - HN    LEU  104   5.48 +/- 0.79   0.613% *  0.1437% (0.49   1.0   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    LEU  104   9.88 +/- 1.86   0.021% *  0.1324% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  11.56 +/- 1.38   0.006% *  0.1437% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  14.52 +/- 0.86   0.001% *  0.2926% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.23 +/- 0.95   0.000% *  0.0736% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.792, support = 7.69, residual support = 202.2:
          QD2   LEU  104 - HN    LEU  104   2.96 +/- 0.75  85.440% * 65.9259% (0.80   7.95 219.41) =  91.973%  kept
          QD1   LEU   98 - HN    LEU  104   4.52 +/- 0.77  14.531% * 33.8300% (0.69   4.76   4.58) =   8.027%  kept
          QD1   ILE   19 - HN    LEU  104  15.25 +/- 1.29   0.010% *  0.1340% (0.65   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.52 +/- 1.05   0.008% *  0.0639% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.62 +/- 1.01   0.011% *  0.0461% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.675, support = 7.19, residual support = 53.6:
          HB2   PHE   97 - HN    ASP- 105   2.48 +/- 0.60  90.130% * 79.2247% (0.69   7.25  54.43) =  97.368%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.21 +/- 1.52   9.706% * 19.8788% (0.25   5.01  22.02) =   2.631%  kept
          QE    LYS+  99 - HN    ASP- 105   7.77 +/- 0.80   0.120% *  0.2855% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   9.36 +/- 0.75   0.038% *  0.1309% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.26 +/- 1.09   0.002% *  0.2059% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.78 +/- 0.79   0.001% *  0.2311% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  13.69 +/- 1.25   0.003% *  0.0431% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.12, residual support = 54.4:
          HB3   PHE   97 - HN    ASP- 105   3.12 +/- 0.84  99.865% * 98.5957% (0.90   5.12  54.43) =  99.999%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.49 +/- 0.57   0.096% *  0.4291% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.29 +/- 0.70   0.024% *  0.4206% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  18.33 +/- 1.16   0.006% *  0.1924% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.29 +/- 0.80   0.006% *  0.1193% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.20 +/- 0.84   0.002% *  0.2429% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.78, residual support = 42.9:
      O   HB2   ASP- 105 - HN    ASP- 105   3.49 +/- 0.22  99.578% * 99.3924% (0.80  10.0   4.78  42.93) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105   9.79 +/- 0.99   0.253% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.75 +/- 1.01   0.052% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.59 +/- 0.77   0.055% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.51 +/- 0.75   0.035% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.81 +/- 0.89   0.004% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  17.05 +/- 1.38   0.009% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.77 +/- 0.68   0.002% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  21.26 +/- 0.82   0.002% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.63 +/- 1.39   0.008% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.59 +/- 1.33   0.002% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.767, support = 4.69, residual support = 42.7:
      O   HB3   ASP- 105 - HN    ASP- 105   2.81 +/- 0.49  94.929% * 77.1477% (0.76  10.0   4.69  42.93) =  98.859%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.19 +/- 0.22   3.824% * 22.0918% (0.98   1.0   4.47  22.02) =   1.140%  kept
          HB    ILE  103 - HN    ASP- 105   6.23 +/- 0.43   1.219% *  0.0693% (0.69   1.0   0.02   2.39) =   0.001%
          HB3   LYS+  38 - HN    ASP- 105  15.19 +/- 0.59   0.006% *  0.0733% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  15.87 +/- 0.75   0.004% *  0.0876% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP- 105  16.86 +/- 2.15   0.005% *  0.0653% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  17.09 +/- 0.44   0.003% *  0.0876% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.83 +/- 0.63   0.003% *  0.0531% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  19.96 +/- 1.40   0.001% *  0.0932% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.39 +/- 1.36   0.003% *  0.0379% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.94 +/- 0.98   0.001% *  0.0974% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  22.96 +/- 0.61   0.000% *  0.0733% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.41 +/- 0.84   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.49, support = 5.98, residual support = 38.3:
          HG    LEU  104 - HN    ASP- 105   4.36 +/- 0.26  77.198% * 50.8495% (0.45   6.41  41.78) =  82.651%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.65 +/- 0.27  17.163% * 47.9558% (0.69   3.95  22.02) =  17.329%  kept
          HB3   LYS+ 121 - HN    ASP- 105   7.12 +/- 0.93   5.497% *  0.1586% (0.45   0.02   0.02) =   0.018%
          HB3   LYS+ 111 - HN    ASP- 105  13.76 +/- 1.75   0.099% *  0.2003% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  17.14 +/- 1.07   0.023% *  0.2146% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  18.86 +/- 1.57   0.013% *  0.3507% (0.99   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  20.91 +/- 1.04   0.007% *  0.2704% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.23, support = 6.11, residual support = 39.2:
          HB2   LEU  104 - HN    ASP- 105   2.21 +/- 0.24  87.851% * 63.7295% (0.22   6.38  41.78) =  93.374%  kept
          QG2   ILE  103 - HN    ASP- 105   3.41 +/- 0.39  11.720% * 33.8832% (0.34   2.22   2.39) =   6.623%  kept
          QD2   LEU   40 - HN    ASP- 105   5.83 +/- 0.55   0.365% *  0.4365% (0.49   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ASP- 105   9.20 +/- 2.02   0.041% *  0.4020% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105   9.79 +/- 1.30   0.021% *  0.4365% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  14.50 +/- 0.75   0.001% *  0.8888% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  17.81 +/- 0.79   0.000% *  0.2236% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 3.83, residual support = 22.0:
          HB2   ASP- 105 - HN    LYS+ 106   2.83 +/- 0.34  99.546% * 97.8242% (0.98   3.83  22.02) =  99.999%  kept
          HG12  ILE  119 - HN    LYS+ 106   8.93 +/- 0.91   0.189% *  0.2144% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    LYS+ 106   8.24 +/- 0.38   0.248% *  0.1610% (0.31   0.02   2.13) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.50 +/- 1.16   0.006% *  0.4678% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  17.03 +/- 0.98   0.003% *  0.3986% (0.76   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  15.15 +/- 1.63   0.007% *  0.0805% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  21.04 +/- 0.68   0.001% *  0.4357% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  24.26 +/- 0.69   0.000% *  0.4177% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.969, support = 5.32, residual support = 130.0:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.17 +/- 0.24  73.625% * 86.3135% (0.98  10.0   5.40 135.78) =  94.935%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.84 +/- 0.36  26.032% * 13.0232% (0.76   1.0   3.87  22.02) =   5.065%  kept
          HB    ILE  103 - HN    LYS+ 106   8.04 +/- 0.45   0.305% *  0.0605% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  13.47 +/- 1.01   0.015% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.14 +/- 1.45   0.011% *  0.0330% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  17.49 +/- 1.57   0.003% *  0.0813% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  20.25 +/- 1.03   0.001% *  0.0850% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  19.64 +/- 1.88   0.002% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.46 +/- 0.61   0.001% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  20.19 +/- 0.42   0.001% *  0.0764% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.40 +/- 0.67   0.001% *  0.0463% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.93 +/- 0.70   0.001% *  0.0639% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.49 +/- 0.84   0.002% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.62, residual support = 2.84:
          QG2   THR  118 - HN    LYS+ 106   3.96 +/- 0.70 100.000% *100.0000% (0.53   2.62   2.84) = 100.000%  kept
    Distance limit 4.59 A violated in 1 structures by 0.09 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.7:
          HB2   PHE   95 - HN    VAL  107   2.61 +/- 0.61 100.000% *100.0000% (1.00   2.31  45.66) = 100.000%  kept
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 58.2:
      O   HB    VAL  107 - HN    VAL  107   2.36 +/- 0.17  99.974% * 99.7350% (0.99  10.0   3.33  58.23) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.03 +/- 0.62   0.017% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.91 +/- 1.09   0.008% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.61 +/- 0.75   0.000% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.90 +/- 0.89   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.73 +/- 0.98   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.14, residual support = 26.8:
          QB    LYS+ 106 - HN    VAL  107   3.16 +/- 0.17  98.044% * 95.3416% (0.53   5.14  26.81) =  99.995%  kept
          HB3   ASP- 105 - HN    VAL  107   6.37 +/- 0.27   1.590% *  0.1760% (0.25   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    VAL  107   9.87 +/- 1.35   0.149% *  0.6514% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.07 +/- 1.38   0.086% *  0.6329% (0.90   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    VAL  107  10.34 +/- 0.86   0.094% *  0.1396% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.23 +/- 1.01   0.009% *  0.5124% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  14.84 +/- 1.53   0.011% *  0.2901% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.87 +/- 0.61   0.003% *  0.6917% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  17.88 +/- 1.18   0.003% *  0.3435% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.69 +/- 0.52   0.001% *  0.6994% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.00 +/- 0.64   0.004% *  0.1571% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  19.53 +/- 0.40   0.002% *  0.2407% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  19.11 +/- 1.60   0.003% *  0.1236% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 58.2:
          QG1   VAL  107 - HN    VAL  107   2.99 +/- 0.36  99.501% * 90.6150% (0.20   3.84  58.23) =  99.988%  kept
          HG13  ILE  119 - HN    VAL  107   8.05 +/- 1.24   0.407% *  2.3620% (0.99   0.02   0.02) =   0.011%
          HG2   LYS+ 121 - HN    VAL  107  10.95 +/- 0.83   0.062% *  0.5942% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  107  13.37 +/- 0.84   0.014% *  1.4454% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  16.10 +/- 1.88   0.008% *  1.1600% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  17.29 +/- 0.81   0.003% *  2.3778% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.11 +/- 0.79   0.005% *  1.4454% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.08, residual support = 62.1:
      O   HB    VAL  108 - HN    VAL  108   2.99 +/- 0.49  99.329% * 99.4150% (0.95  10.0   4.08  62.12) =  99.999%  kept
          HB2   PRO   93 - HN    VAL  108   8.09 +/- 1.32   0.560% *  0.0994% (0.95   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    VAL  108  11.42 +/- 0.98   0.052% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  11.95 +/- 1.19   0.037% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.53 +/- 0.93   0.005% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  14.34 +/- 1.54   0.013% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.47 +/- 0.69   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.91 +/- 0.56   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.13 +/- 1.46   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.42 +/- 0.85   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  28.83 +/- 1.44   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  37.03 +/- 2.17   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 15.3:
          QG2   VAL  107 - HN    VAL  108   3.25 +/- 0.13  99.812% * 92.9875% (0.28   3.64  15.34) =  99.997%  kept
          HG13  ILE  119 - HN    VAL  108  10.59 +/- 0.99   0.106% *  1.7394% (0.95   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    VAL  108  12.63 +/- 1.06   0.040% *  0.8950% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  108  12.45 +/- 0.79   0.034% *  0.6272% (0.34   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  18.68 +/- 0.90   0.003% *  1.5950% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.81 +/- 0.82   0.002% *  1.6974% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  18.08 +/- 1.67   0.004% *  0.4585% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.1, residual support = 15.3:
          QG1   VAL  107 - HN    VAL  108   3.99 +/- 0.19  99.661% * 95.2124% (0.25   4.10  15.34) =  99.995%  kept
          HG    LEU   63 - HN    VAL  108  12.15 +/- 1.10   0.145% *  1.7967% (0.97   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HN    VAL  108  11.59 +/- 0.55   0.179% *  1.1292% (0.61   0.02   0.02) =   0.002%
          QG2   VAL   24 - HN    VAL  108  17.65 +/- 0.94   0.015% *  1.8617% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.56 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.3:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.02  99.998% * 99.6957% (0.69  10.0   4.64  27.28) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.04 +/- 0.95   0.002% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  17.01 +/- 1.07   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.97 +/- 1.19   0.000% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 36.2:
      O   HB2   ASP-  76 - HN    ASP-  76   2.56 +/- 0.46  99.387% * 99.7699% (1.00  10.0   3.71  36.15) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.72 +/- 0.48   0.593% *  0.0724% (0.73   1.0   0.02   3.06) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  12.39 +/- 0.88   0.015% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.08 +/- 1.67   0.003% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  23.37 +/- 0.36   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.15 +/- 0.90   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.75, residual support = 36.2:
      O   HB3   ASP-  76 - HN    ASP-  76   3.05 +/- 0.34  99.554% * 97.9021% (0.28  10.0   3.75  36.15) =  99.999%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.64 +/- 0.45   0.248% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  10.24 +/- 1.99   0.132% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.29 +/- 0.66   0.028% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  13.43 +/- 0.68   0.016% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  15.85 +/- 1.71   0.010% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.04 +/- 0.63   0.002% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.28 +/- 1.47   0.004% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.90 +/- 1.48   0.003% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  19.53 +/- 0.90   0.002% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  23.03 +/- 0.95   0.001% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.3:
          QG1   VAL   75 - HN    ASP-  76   2.75 +/- 0.27  99.996% * 99.7156% (0.69   4.97  27.28) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.72 +/- 1.12   0.004% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 27.3:
          QG2   VAL   75 - HN    ASP-  76   3.87 +/- 0.24  99.920% * 99.6073% (0.98   4.64  27.28) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  12.86 +/- 0.41   0.080% *  0.3927% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.18:
      O   HA2   GLY  109 - HN    GLY  109   2.51 +/- 0.23  99.973% * 99.3336% (0.43  10.0   2.20   9.18) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  12.35 +/- 0.38   0.009% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  12.50 +/- 0.96   0.008% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  13.80 +/- 0.78   0.005% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  14.66 +/- 1.43   0.003% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.75 +/- 0.67   0.002% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.694, support = 0.0198, residual support = 0.0198:
          HG3   LYS+ 111 - HN    GLY  109   6.25 +/- 0.93  88.114% * 20.3763% (0.70   0.02   0.02) =  89.357%  kept
          HG12  ILE   89 - HN    GLY  109   9.93 +/- 1.13   9.271% * 21.3024% (0.73   0.02   0.02) =   9.829%  kept
          HD2   LYS+ 112 - HN    GLY  109  12.29 +/- 1.01   2.001% *  4.3683% (0.15   0.02   0.02) =   0.435%
          HG2   LYS+  74 - HN    GLY  109  15.50 +/- 1.06   0.430% * 13.3882% (0.46   0.02   0.02) =   0.286%
          HG3   LYS+  99 - HN    GLY  109  21.88 +/- 0.59   0.056% * 12.4970% (0.43   0.02   0.02) =   0.035%
          HG    LEU   71 - HN    GLY  109  23.34 +/- 1.36   0.036% * 14.2794% (0.49   0.02   0.02) =   0.026%
          HG13  ILE   19 - HN    GLY  109  22.56 +/- 1.17   0.044% *  8.2844% (0.28   0.02   0.02) =   0.018%
          HB3   LEU   71 - HN    GLY  109  22.25 +/- 0.67   0.048% *  5.5041% (0.19   0.02   0.02) =   0.013%
    Distance limit 4.53 A violated in 20 structures by 1.55 A, eliminated.
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.64:
          QG1   VAL  108 - HN    GLY  109   2.53 +/- 0.25  99.992% * 98.9381% (0.65   3.09   7.64) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  15.49 +/- 0.64   0.002% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  14.55 +/- 1.21   0.004% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  16.74 +/- 1.30   0.002% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.38:
      O   HA2   GLY  109 - HN    ALA  110   2.99 +/- 0.32  99.927% * 99.3336% (0.57  10.0   2.20   6.38) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  12.37 +/- 0.74   0.025% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  13.39 +/- 1.26   0.018% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  14.10 +/- 1.78   0.013% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  14.05 +/- 1.17   0.012% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  16.48 +/- 1.36   0.005% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.231, support = 0.74, residual support = 6.55:
          HG2   PRO   93 - HN    ALA  110   3.99 +/- 1.89  85.933% * 54.6666% (0.22   0.75   6.64) =  98.615%  kept
          HB3   PRO   52 - HN    ALA  110   6.93 +/- 1.87   8.794% *  6.4182% (0.98   0.02   0.02) =   1.185%  kept
          HB3   GLN   90 - HN    ALA  110  12.14 +/- 1.79   2.348% *  1.8205% (0.28   0.02   0.02) =   0.090%
          QB    LYS+ 106 - HN    ALA  110   8.75 +/- 0.82   2.227% *  1.2958% (0.20   0.02   0.02) =   0.061%
          HG2   ARG+  54 - HN    ALA  110  12.38 +/- 1.93   0.271% *  3.1872% (0.49   0.02   0.02) =   0.018%
          HB3   ASP- 105 - HN    ALA  110  13.53 +/- 0.97   0.163% *  2.9356% (0.45   0.02   0.02) =   0.010%
          HG12  ILE  103 - HN    ALA  110  16.79 +/- 1.59   0.058% *  5.2431% (0.80   0.02   0.02) =   0.006%
          HG    LEU  123 - HN    ALA  110  17.92 +/- 1.51   0.041% *  6.4182% (0.98   0.02   0.02) =   0.006%
          HB    ILE  103 - HN    ALA  110  17.32 +/- 1.28   0.054% *  3.4450% (0.53   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    ALA  110  16.11 +/- 1.67   0.042% *  2.9356% (0.45   0.02   0.02) =   0.003%
          QB    LYS+  81 - HN    ALA  110  17.79 +/- 1.22   0.047% *  1.4578% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    ALA  110  19.93 +/- 1.56   0.015% *  4.2358% (0.65   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    ALA  110  24.38 +/- 2.26   0.004% *  3.7071% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA  110  24.98 +/- 1.02   0.004% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 3 structures by 0.40 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.59:
      O   QB    ALA  110 - HN    ALA  110   2.62 +/- 0.26  99.164% * 98.9553% (0.69  10.0   2.12   9.59) =  99.999%  kept
          HB3   LEU  115 - HN    ALA  110   7.04 +/- 1.27   0.819% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  13.05 +/- 1.99   0.009% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  16.33 +/- 1.92   0.002% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  19.27 +/- 1.72   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  19.92 +/- 1.68   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  19.20 +/- 1.76   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.53 +/- 1.28   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  19.21 +/- 1.76   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.60 +/- 1.68   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  23.12 +/- 1.97   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.60 +/- 1.73   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.2:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.20 +/- 0.61  75.656% * 99.3619% (1.00  10.0   7.06 315.24) =  99.983%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.21 +/- 0.55  24.244% *  0.0524% (0.53   1.0   0.02   2.57) =   0.017%
          HB    ILE  119 - HN    LYS+ 111  10.68 +/- 1.02   0.095% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  22.33 +/- 1.93   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.51 +/- 1.45   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.95 +/- 1.83   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  22.16 +/- 1.26   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  23.27 +/- 2.00   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  25.46 +/- 1.74   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.40 +/- 1.20   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.13 +/- 1.18   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.97 +/- 1.15   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 315.2:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.61 +/- 0.49  99.969% * 99.4649% (0.92  10.0   5.49 315.24) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.82 +/- 0.63   0.006% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  12.72 +/- 1.62   0.015% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  16.15 +/- 1.47   0.004% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.17 +/- 1.91   0.003% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.16 +/- 1.00   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.58 +/- 1.89   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.70 +/- 1.02   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.21 +/- 1.77   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 315.2:
          HG3   LYS+ 111 - HN    LYS+ 111   3.41 +/- 0.28  98.133% * 98.8200% (0.92   6.55 315.24) =  99.999%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.25 +/- 0.99   1.830% *  0.0647% (0.20   0.02  27.89) =   0.001%
          HG12  ILE   89 - HN    LYS+ 111  14.02 +/- 1.01   0.025% *  0.3157% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.94 +/- 1.35   0.008% *  0.1984% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.27 +/- 1.08   0.001% *  0.1852% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  24.08 +/- 1.72   0.001% *  0.2116% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  23.23 +/- 1.51   0.001% *  0.1228% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  23.02 +/- 1.13   0.001% *  0.0816% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.15 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.22, residual support = 2.22:
          QD1   ILE   56 - HN    LYS+ 111   4.57 +/- 2.25  96.690% * 97.5478% (0.76   2.22   2.22) =  99.970%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.42 +/- 0.80   2.062% *  1.1090% (0.97   0.02   0.02) =   0.024%
          QD2   LEU  123 - HN    LYS+ 111  14.64 +/- 0.95   1.050% *  0.3920% (0.34   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    LYS+ 111  17.24 +/- 1.57   0.157% *  0.5593% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+ 111  23.17 +/- 1.19   0.042% *  0.3920% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 3 structures by 0.99 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.72, residual support = 231.6:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.04  99.995% * 99.8622% (0.87  10.0   5.72 231.58) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  15.77 +/- 0.78   0.003% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.71 +/- 0.63   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  29.81 +/- 1.56   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.06, residual support = 27.9:
          HB2   LYS+ 111 - HN    LYS+ 112   3.88 +/- 0.40  86.466% * 97.8523% (0.87   7.06  27.89) =  99.986%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.49 +/- 0.49  12.958% *  0.0888% (0.28   0.02   0.98) =   0.014%
          HB    ILE  119 - HN    LYS+ 112  10.44 +/- 0.84   0.281% *  0.1555% (0.49   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LYS+ 112  11.23 +/- 0.48   0.176% *  0.0888% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  12.08 +/- 0.76   0.107% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  23.23 +/- 1.69   0.002% *  0.2557% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  24.37 +/- 1.63   0.002% *  0.3194% (1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.59 +/- 1.26   0.002% *  0.2557% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  28.10 +/- 1.75   0.001% *  0.2557% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.87 +/- 0.91   0.001% *  0.1555% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  23.68 +/- 1.86   0.002% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.51 +/- 1.07   0.001% *  0.1808% (0.57   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  24.22 +/- 0.87   0.002% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  31.54 +/- 1.05   0.000% *  0.1937% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 231.6:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.42 +/- 0.51  99.823% * 98.9690% (0.76  10.0   5.71 231.58) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   9.06 +/- 1.84   0.166% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.35 +/- 0.68   0.003% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.47 +/- 1.62   0.004% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  18.69 +/- 0.90   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.01 +/- 1.70   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.75 +/- 0.63   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  22.48 +/- 0.86   0.000% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  21.49 +/- 0.76   0.000% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  26.12 +/- 1.40   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  24.16 +/- 1.54   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  29.70 +/- 1.48   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.86 +/- 0.75   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.879, support = 5.71, residual support = 231.6:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.25 +/- 0.42  77.793% * 84.2293% (0.90  10.0   5.66 231.58) =  95.732%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.53 +/- 0.86  18.754% * 15.5750% (0.49   1.0   6.81 231.58) =   4.267%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.85 +/- 0.64   3.402% *  0.0186% (0.20   1.0   0.02   0.02) =   0.001%
          QG2   THR   94 - HN    LYS+ 112  11.56 +/- 0.79   0.048% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.51 +/- 1.18   0.002% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  25.14 +/- 0.78   0.000% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 231.6:
          HG2   LYS+ 112 - HN    LYS+ 112   3.37 +/- 0.67  99.860% * 98.1748% (0.34   6.23 231.58) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  12.32 +/- 0.96   0.088% *  0.7402% (0.80   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    LYS+ 112  13.74 +/- 0.72   0.035% *  0.6350% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  15.32 +/- 0.95   0.017% *  0.4500% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 8.56:
          QD1   ILE   56 - HN    LYS+ 112   4.31 +/- 1.67  98.742% * 96.8843% (0.76   1.74   8.56) =  99.988%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.53 +/- 0.73   0.517% *  1.4090% (0.97   0.02   0.02) =   0.008%
          QD2   LEU  123 - HN    LYS+ 112  13.87 +/- 0.99   0.631% *  0.4980% (0.34   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+ 112  19.33 +/- 1.20   0.088% *  0.7107% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+ 112  26.39 +/- 0.92   0.021% *  0.4980% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 3 structures by 0.54 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 231.6:
          HG3   LYS+ 112 - HN    LYS+ 112   3.17 +/- 0.47  99.808% * 99.2180% (0.87   5.94 231.58) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  13.08 +/- 1.80   0.035% *  0.3773% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.79 +/- 0.55   0.155% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.10 +/- 0.89   0.001% *  0.3452% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.07 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.15, residual support = 15.6:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.05  99.983% * 99.8622% (0.74  10.0   5.15  15.56) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.76 +/- 0.35   0.009% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.54 +/- 0.87   0.007% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  31.06 +/- 1.45   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.42, residual support = 14.3:
      O   QB    ASP- 113 - HN    ASP- 113   2.19 +/- 0.23 100.000% *100.0000% (0.82  10.0   3.42  14.27) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 2.78, residual support = 23.3:
          QG    GLU- 114 - HN    ASP- 113   4.44 +/- 0.47  99.248% * 93.3741% (0.26   2.78  23.28) =  99.992%  kept
          HB2   PRO   58 - HN    ASP- 113  12.42 +/- 1.22   0.287% *  1.0581% (0.41   0.02   0.02) =   0.003%
          HG2   PRO   52 - HN    ASP- 113  13.83 +/- 1.45   0.180% *  1.6613% (0.65   0.02   0.02) =   0.003%
          HG2   MET   92 - HN    ASP- 113  13.12 +/- 1.87   0.282% *  0.5420% (0.21   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ASP- 113  26.54 +/- 1.26   0.003% *  0.8158% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  34.54 +/- 0.96   0.001% *  2.0066% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  35.90 +/- 0.96   0.000% *  0.5420% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.09 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.797, support = 2.87, residual support = 7.0:
          HB2   LYS+ 111 - HN    ASP- 113   3.46 +/- 0.82  79.703% * 60.7495% (0.85   2.81   4.53) =  86.794%  kept
          QB    GLU- 114 - HN    ASP- 113   4.54 +/- 0.25  20.072% * 36.7031% (0.45   3.22  23.28) =  13.206%  kept
          HB    ILE  119 - HN    ASP- 113   9.57 +/- 0.49   0.219% *  0.1080% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  23.93 +/- 1.43   0.001% *  0.4245% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  24.07 +/- 1.34   0.001% *  0.3884% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  24.72 +/- 1.05   0.001% *  0.4245% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  23.24 +/- 1.59   0.001% *  0.1625% (0.32   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.92 +/- 0.81   0.001% *  0.1942% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  28.75 +/- 1.65   0.000% *  0.2279% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  32.65 +/- 1.09   0.000% *  0.3757% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  27.83 +/- 1.09   0.000% *  0.1337% (0.26   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.38 +/- 0.82   0.000% *  0.1080% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.7, residual support = 15.6:
          HB2   LYS+ 112 - HN    ASP- 113   3.45 +/- 0.32  99.551% * 96.4709% (0.65   5.70  15.56) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.68 +/- 1.94   0.361% *  0.0684% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  12.92 +/- 1.84   0.054% *  0.1664% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.89 +/- 0.89   0.018% *  0.2868% (0.55   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  18.77 +/- 0.70   0.004% *  0.4092% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.45 +/- 1.28   0.004% *  0.4092% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.56 +/- 0.61   0.003% *  0.3045% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  23.21 +/- 0.69   0.001% *  0.3845% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  22.69 +/- 0.73   0.002% *  0.1822% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.36 +/- 1.45   0.001% *  0.3703% (0.71   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  30.03 +/- 1.35   0.000% *  0.4092% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  31.05 +/- 0.70   0.000% *  0.4278% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.48 +/- 1.58   0.001% *  0.1105% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.13 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.702, support = 4.73, residual support = 15.6:
          HB3   LYS+ 112 - HN    ASP- 113   3.85 +/- 0.32  71.676% * 59.0197% (0.76   4.52  15.56) =  82.090%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.35 +/- 1.20  22.852% * 40.3733% (0.41   5.69  15.56) =  17.904%  kept
          QG2   VAL  107 - HN    ASP- 113   6.07 +/- 0.55   5.392% *  0.0577% (0.17   0.02   0.02) =   0.006%
          QG2   THR   94 - HN    ASP- 113  12.21 +/- 0.74   0.074% *  0.2528% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  19.20 +/- 1.17   0.005% *  0.1768% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  25.31 +/- 0.59   0.001% *  0.1198% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.56, residual support = 23.3:
      O   HA    ASP- 113 - HN    GLU- 114   3.62 +/- 0.03  99.500% * 99.6702% (1.00  10.0   3.56  23.28) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.66 +/- 0.96   0.328% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.97 +/- 0.99   0.147% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.63 +/- 0.43   0.016% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  20.80 +/- 0.90   0.003% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  19.01 +/- 1.70   0.005% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.55 +/- 0.86   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.56, residual support = 23.3:
          QB    ASP- 113 - HN    GLU- 114   2.56 +/- 0.29  99.994% * 99.8705% (0.97   3.56  23.28) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.42 +/- 1.20   0.006% *  0.1295% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.37, residual support = 43.6:
          QG    GLU- 114 - HN    GLU- 114   2.55 +/- 0.43  99.979% * 97.7099% (0.84   4.37  43.63) = 100.000%  kept
          HG2   MET   92 - HN    GLU- 114  12.89 +/- 1.88   0.015% *  0.4096% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU- 114  14.20 +/- 1.56   0.006% *  0.5253% (0.98   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.73 +/- 1.12   0.000% *  0.4807% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.22 +/- 1.21   0.000% *  0.4649% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  34.14 +/- 0.77   0.000% *  0.4096% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.844, support = 3.71, residual support = 38.0:
      O   QB    GLU- 114 - HN    GLU- 114   2.30 +/- 0.19  52.390% * 84.7787% (0.84  10.0   3.79  43.63) =  86.393%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.59 +/- 0.80  47.610% * 14.6936% (0.90   1.0   3.23   2.57) =  13.607%  kept
          HB2   GLN   17 - HN    GLU- 114  23.48 +/- 1.22   0.000% *  0.0960% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU- 114  22.40 +/- 1.47   0.000% *  0.0697% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  23.87 +/- 0.88   0.000% *  0.0960% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.88 +/- 0.76   0.000% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  23.32 +/- 1.17   0.000% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.37 +/- 1.28   0.000% *  0.1015% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  27.40 +/- 1.47   0.000% *  0.0253% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.16, residual support = 2.57:
          HB3   LYS+ 111 - HN    GLU- 114   3.21 +/- 0.58  99.649% * 91.5081% (0.92   1.16   2.57) =  99.996%  kept
          HD2   LYS+ 121 - HN    GLU- 114  10.35 +/- 1.98   0.247% *  0.7030% (0.41   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HN    GLU- 114  11.35 +/- 0.73   0.072% *  1.6761% (0.98   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    GLU- 114  14.99 +/- 1.63   0.017% *  1.3692% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  17.58 +/- 1.02   0.005% *  1.6761% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  18.96 +/- 1.06   0.005% *  1.5335% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  18.98 +/- 1.06   0.003% *  0.5833% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  23.67 +/- 0.63   0.001% *  0.4754% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  29.38 +/- 1.48   0.000% *  0.4754% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.875, support = 1.3, residual support = 3.25:
          QG1   VAL  107 - HN    GLU- 114   4.89 +/- 0.78  82.198% * 34.4781% (0.84   1.12   4.09) =  72.853%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.89 +/- 1.12  16.454% * 64.1566% (0.98   1.78   0.98) =  27.136%  kept
          HG13  ILE  119 - HN    GLU- 114   9.60 +/- 0.68   1.337% *  0.3018% (0.41   0.02   0.02) =   0.010%
          QG1   VAL   24 - HN    GLU- 114  22.93 +/- 2.08   0.008% *  0.7342% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  26.04 +/- 1.03   0.003% *  0.3292% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.11 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.05 +/- 0.32  99.972% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  12.87 +/- 1.24   0.023% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  16.73 +/- 1.58   0.005% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  24.92 +/- 1.14   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.41 +/- 0.88   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.08 +/- 0.85   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.92 +/- 0.06  99.993% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  14.80 +/- 1.52   0.007% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.34 +/- 0.64   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.22 +/- 0.08  99.996% * 99.4046% (0.57  10.0   6.39  75.74) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.39 +/- 0.47   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  18.35 +/- 1.00   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  24.89 +/- 0.81   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.68 +/- 0.74   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.43 +/- 0.66   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.31, residual support = 75.7:
          HG3   GLU- 100 - HN    GLU- 100   2.69 +/- 0.52  99.959% * 97.4454% (0.69   4.31  75.74) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  11.45 +/- 0.38   0.031% *  0.6449% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  15.11 +/- 1.02   0.005% *  0.6449% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  18.98 +/- 1.40   0.002% *  0.6223% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  18.78 +/- 1.81   0.002% *  0.1465% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  24.19 +/- 0.73   0.000% *  0.1829% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  24.62 +/- 2.95   0.000% *  0.1302% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  26.93 +/- 0.76   0.000% *  0.1829% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 39.8:
          HB2   LYS+  99 - HN    GLU- 100   4.43 +/- 0.10  99.627% * 99.1241% (0.73   5.60  39.77) =  99.998%  kept
          HB    VAL   43 - HN    GLU- 100  11.46 +/- 0.58   0.359% *  0.4070% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  24.33 +/- 0.91   0.004% *  0.3724% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  20.65 +/- 0.96   0.010% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.36, residual support = 39.8:
          HG2   LYS+  99 - HN    GLU- 100   3.29 +/- 0.34  96.589% * 98.3872% (0.90   6.36  39.77) =  99.988%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.52 +/- 0.60   3.263% *  0.3331% (0.97   0.02   0.02) =   0.011%
          HB2   LEU   31 - HN    GLU- 100  10.20 +/- 0.53   0.118% *  0.1954% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  15.08 +/- 0.83   0.012% *  0.1065% (0.31   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  18.59 +/- 1.01   0.003% *  0.3265% (0.95   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.24 +/- 0.63   0.004% *  0.2093% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.27 +/- 0.65   0.007% *  0.0768% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  19.71 +/- 1.22   0.002% *  0.1419% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.80 +/- 1.67   0.001% *  0.2233% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.77, residual support = 172.8:
      O   HB2   LYS+  99 - HN    LYS+  99   2.89 +/- 0.32  99.865% * 99.7262% (0.99  10.0   4.78 172.83) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99   9.58 +/- 0.64   0.087% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.48 +/- 0.65   0.034% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  19.48 +/- 1.08   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  22.79 +/- 1.04   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.34 +/- 0.52   0.004% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  15.97 +/- 1.11   0.005% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.41 +/- 0.61   0.002% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.81, residual support = 17.1:
          QB    LEU   98 - HN    LYS+  99   3.00 +/- 0.19  97.707% * 93.4974% (0.57   3.81  17.10) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  11.92 +/- 2.18   0.050% *  0.7527% (0.87   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   6.68 +/- 1.21   1.837% *  0.0088% (0.01   0.02   5.35) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  12.61 +/- 1.57   0.024% *  0.3891% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  11.29 +/- 1.36   0.049% *  0.1339% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  16.31 +/- 1.85   0.005% *  0.7783% (0.90   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30  10.12 +/- 0.97   0.082% *  0.0511% (0.06   0.02  10.45) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.69 +/- 0.74   0.057% *  0.0457% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  10.93 +/- 0.73   0.048% *  0.0476% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  11.48 +/- 0.78   0.039% *  0.0550% (0.06   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  10.54 +/- 0.73   0.063% *  0.0323% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  17.57 +/- 0.72   0.003% *  0.7248% (0.84   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  16.68 +/- 0.59   0.004% *  0.5263% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  15.60 +/- 1.13   0.006% *  0.2413% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  18.97 +/- 1.26   0.002% *  0.8375% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  18.82 +/- 1.71   0.002% *  0.6949% (0.80   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.62 +/- 0.62   0.002% *  0.7248% (0.84   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  20.50 +/- 1.76   0.001% *  0.2678% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  14.83 +/- 2.21   0.011% *  0.0176% (0.02   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.30 +/- 1.28   0.004% *  0.0346% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.92 +/- 0.73   0.003% *  0.0256% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  22.00 +/- 0.56   0.001% *  0.0476% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  23.90 +/- 1.94   0.000% *  0.0495% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.35 +/- 0.76   0.001% *  0.0159% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.767, support = 3.33, residual support = 17.0:
          QD2   LEU  104 - HN    LYS+  99   3.20 +/- 0.76  71.417% * 47.4567% (0.80   3.07  16.99) =  70.037%  kept
          QD1   LEU   98 - HN    LYS+  99   3.97 +/- 0.76  27.871% * 52.0213% (0.69   3.93  17.10) =  29.962%  kept
          QD1   ILE   19 - HN    GLN   30   7.71 +/- 0.94   0.556% *  0.0164% (0.04   0.02  10.45) =   0.000%
          QD1   ILE   19 - HN    LYS+  99  13.63 +/- 1.07   0.017% *  0.2496% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.57 +/- 0.73   0.077% *  0.0174% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.65 +/- 0.47   0.009% *  0.0859% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  16.71 +/- 0.92   0.005% *  0.1191% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.38 +/- 0.91   0.029% *  0.0056% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.05 +/- 0.93   0.007% *  0.0203% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.92 +/- 0.76   0.012% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.845, support = 3.96, residual support = 16.7:
          QD1   LEU  104 - HN    LYS+  99   4.05 +/- 0.72  56.877% * 93.6366% (0.87   4.00  16.99) =  97.217%  kept
          QD1   LEU   73 - HN    GLN   30   4.44 +/- 0.45  39.730% *  3.8251% (0.06   2.49   5.35) =   2.774%  kept
          QD1   LEU   73 - HN    LYS+  99   9.21 +/- 0.72   0.487% *  0.4682% (0.87   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LYS+  99  10.65 +/- 0.55   0.195% *  0.4682% (0.87   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    GLN   30   8.22 +/- 1.28   1.491% *  0.0351% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  10.43 +/- 1.25   0.292% *  0.1501% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LYS+  99  15.04 +/- 2.05   0.030% *  0.5350% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  13.08 +/- 1.17   0.062% *  0.2219% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.49 +/- 1.29   0.023% *  0.5385% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   8.59 +/- 0.69   0.744% *  0.0146% (0.03   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  15.20 +/- 1.06   0.026% *  0.0308% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.24 +/- 0.53   0.022% *  0.0308% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.70 +/- 0.97   0.019% *  0.0099% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  21.03 +/- 1.78   0.003% *  0.0354% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.09, residual support = 11.0:
          HB3   PHE   97 - HN    LEU   98   3.93 +/- 0.32  99.235% * 97.5773% (0.65   4.09  11.04) =  99.995%  kept
          HB2   GLU- 100 - HN    LEU   98   9.23 +/- 0.35   0.657% *  0.6621% (0.90   0.02   0.02) =   0.004%
          QG    GLN   32 - HN    LEU   98  13.69 +/- 0.80   0.070% *  0.3884% (0.53   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  17.61 +/- 0.82   0.015% *  0.5912% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  17.78 +/- 0.79   0.013% *  0.6167% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  18.56 +/- 0.88   0.011% *  0.1644% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.693, support = 3.8, residual support = 25.2:
          HB    VAL   41 - HN    LEU   98   4.33 +/- 0.99  57.767% * 57.5720% (0.65   4.38  24.13) =  69.860%  kept
          HG12  ILE  103 - HN    LEU   98   5.02 +/- 1.57  35.744% * 40.1118% (0.80   2.46  27.53) =  30.118%  kept
          HB    ILE  103 - HN    LEU   98   7.22 +/- 0.76   2.395% *  0.2139% (0.53   0.02  27.53) =   0.011%
          HB3   ASP- 105 - HN    LEU   98   7.85 +/- 1.00   1.713% *  0.1822% (0.45   0.02   0.31) =   0.007%
          QB    LYS+ 106 - HN    LEU   98   7.49 +/- 0.75   2.080% *  0.0804% (0.20   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    LEU   98  11.80 +/- 0.86   0.130% *  0.1822% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  12.15 +/- 0.56   0.094% *  0.1386% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   98  15.71 +/- 1.52   0.022% *  0.3984% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  15.16 +/- 1.30   0.026% *  0.2301% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  21.60 +/- 0.65   0.003% *  0.3984% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  17.02 +/- 0.85   0.013% *  0.0905% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  18.71 +/- 0.86   0.007% *  0.0905% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  19.88 +/- 1.13   0.005% *  0.1130% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  22.84 +/- 0.83   0.002% *  0.1978% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.17, residual support = 82.4:
      O   QB    LEU   98 - HN    LEU   98   2.69 +/- 0.24  98.114% * 99.2383% (0.84  10.0   5.17  82.44) = 100.000%  kept
          HB    VAL   42 - HN    LEU   98   5.41 +/- 0.36   1.762% *  0.0208% (0.18   1.0   0.02   0.80) =   0.000%
          HD3   LYS+ 121 - HN    LEU   98  11.38 +/- 2.00   0.034% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  10.36 +/- 1.06   0.044% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  13.25 +/- 1.82   0.012% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  13.55 +/- 0.73   0.007% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  15.75 +/- 1.22   0.003% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  13.30 +/- 0.50   0.008% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  15.60 +/- 1.60   0.003% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.26 +/- 0.81   0.007% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.71 +/- 0.59   0.003% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  19.25 +/- 1.57   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  16.67 +/- 0.64   0.002% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 4.27, residual support = 8.97:
          QD2   LEU   40 - HN    LEU   98   3.22 +/- 0.54  89.379% * 82.9313% (0.97   4.30   8.78) =  98.970%  kept
          QG2   ILE  103 - HN    LEU   98   5.60 +/- 0.56   4.804% * 15.9059% (0.87   0.92  27.53) =   1.020%  kept
          QD1   ILE  103 - HN    LEU   98   5.88 +/- 0.87   4.419% *  0.0790% (0.20   0.02  27.53) =   0.005%
          QD1   LEU   67 - HN    LEU   98   7.77 +/- 1.09   0.851% *  0.3777% (0.95   0.02   0.02) =   0.004%
          QD2   LEU   71 - HN    LEU   98   9.59 +/- 0.94   0.460% *  0.1110% (0.28   0.02   0.02) =   0.001%
          HB    VAL   75 - HN    LEU   98  11.34 +/- 0.82   0.069% *  0.2900% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  14.25 +/- 0.78   0.018% *  0.3052% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.412, support = 4.03, residual support = 64.8:
          QD1   LEU   98 - HN    LEU   98   3.73 +/- 0.82  42.882% * 55.5105% (0.38   4.87  82.44) =  76.141%  kept
          QD2   LEU  104 - HN    LEU   98   5.45 +/- 1.20  13.761% * 21.5538% (0.99   0.72   4.58) =   9.488%  kept
          QG1   VAL   43 - HN    LEU   98   4.10 +/- 0.70  27.459% *  9.1312% (0.28   1.08   0.38) =   8.020%  kept
          QG1   VAL   41 - HN    LEU   98   4.68 +/- 0.66  15.780% * 12.5791% (0.15   2.68  24.13) =   6.349%  kept
          QD1   ILE   19 - HN    LEU   98  11.33 +/- 1.01   0.051% *  0.5610% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   98  11.33 +/- 0.57   0.048% *  0.2958% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.10 +/- 1.00   0.019% *  0.3686% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.192, support = 4.57, residual support = 64.2:
          QD2   LEU   98 - HN    LEU   98   2.97 +/- 0.82  76.520% * 27.6700% (0.15   4.68  82.44) =  69.867%  kept
          QG2   VAL   41 - HN    LEU   98   4.12 +/- 0.56  16.579% * 49.2202% (0.28   4.62  24.13) =  26.926%  kept
          QD1   LEU  104 - HN    LEU   98   5.43 +/- 0.76   4.755% * 20.1390% (0.31   1.70   4.58) =   3.160%  kept
          QD1   LEU   73 - HN    LEU   98   6.87 +/- 0.76   0.777% *  0.6875% (0.90   0.02   0.02) =   0.018%
          QD2   LEU   63 - HN    LEU   98   7.73 +/- 1.17   0.753% *  0.6403% (0.84   0.02   0.02) =   0.016%
          QD1   LEU   63 - HN    LEU   98   7.56 +/- 0.52   0.552% *  0.6875% (0.90   0.02   0.02) =   0.013%
          QD2   LEU   80 - HN    LEU   98  12.47 +/- 2.05   0.026% *  0.4033% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   98  12.90 +/- 1.45   0.021% *  0.4340% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  13.42 +/- 1.52   0.018% *  0.1183% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 4.85, residual support = 62.6:
      O   HB2   PHE   97 - HN    PHE   97   2.50 +/- 0.41  94.485% * 99.6886% (0.95  10.0   4.85  62.65) =  99.997%  kept
          QE    LYS+ 106 - HN    PHE   97   5.38 +/- 0.95   5.401% *  0.0554% (0.53   1.0   0.02  10.06) =   0.003%
          QE    LYS+  99 - HN    PHE   97   9.16 +/- 0.67   0.061% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.98 +/- 0.81   0.031% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  11.62 +/- 1.09   0.014% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.68 +/- 0.58   0.005% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.84 +/- 0.86   0.002% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 46.1:
          HG2   MET   96 - HN    PHE   97   3.87 +/- 0.44  99.985% * 99.8228% (0.98   5.60  46.07) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  17.54 +/- 1.29   0.015% *  0.1772% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.2, residual support = 62.6:
      O   HB3   PHE   97 - HN    PHE   97   3.27 +/- 0.45  98.871% * 99.0693% (0.34  10.0   5.20  62.65) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.21 +/- 0.58   1.059% *  0.0808% (0.28   1.0   0.02   2.33) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.36 +/- 0.57   0.045% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.01 +/- 0.75   0.013% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.75 +/- 1.02   0.007% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.17 +/- 0.72   0.004% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.476, support = 5.42, residual support = 48.1:
          HB2   MET   96 - HN    PHE   97   3.90 +/- 0.26  83.972% * 35.2416% (0.31   6.07  46.07) =  75.118%  kept
          HB2   ASP- 105 - HN    PHE   97   5.34 +/- 0.69  15.482% * 63.3063% (0.98   3.44  54.43) =  24.879%  kept
          HG12  ILE  119 - HN    PHE   97   9.99 +/- 1.21   0.419% *  0.1546% (0.41   0.02   1.09) =   0.002%
          HG2   GLU- 100 - HN    PHE   97  13.46 +/- 0.66   0.055% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.72 +/- 0.60   0.014% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  17.90 +/- 0.69   0.010% *  0.3140% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  14.46 +/- 0.95   0.041% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  19.23 +/- 0.70   0.006% *  0.3010% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 46.1:
          HB3   MET   96 - HN    PHE   97   4.48 +/- 0.15  99.640% * 91.3872% (0.15   6.07  46.07) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  14.35 +/- 0.65   0.096% *  1.4160% (0.73   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    PHE   97  15.20 +/- 1.01   0.072% *  1.6916% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.38 +/- 0.98   0.102% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.69 +/- 0.72   0.057% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.30 +/- 0.68   0.023% *  1.9115% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  21.71 +/- 1.17   0.008% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  30.19 +/- 2.43   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.21 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.618, support = 1.36, residual support = 1.34:
          QG2   ILE  103 - HN    PHE   97   3.55 +/- 0.71  90.849% * 48.8171% (0.61   1.38   1.39) =  92.624%  kept
          QD2   LEU   40 - HN    PHE   97   5.97 +/- 0.64   7.283% * 48.3710% (0.76   1.08   0.73) =   7.357%  kept
          QD1   LEU   67 - HN    PHE   97   9.17 +/- 1.41   0.463% *  0.8479% (0.73   0.02   0.02) =   0.008%
          QD1   ILE  119 - HN    PHE   97   9.67 +/- 1.60   1.265% *  0.2911% (0.25   0.02   1.09) =   0.008%
          HB    VAL   75 - HN    PHE   97  11.10 +/- 0.64   0.120% *  1.1045% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HN    PHE   97  14.93 +/- 0.57   0.020% *  0.5683% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.03 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.99, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.84 +/- 0.36  97.926% * 95.7137% (0.24   4.00  11.99) =  99.976%  kept
          HB3   TRP   87 - HN    MET   96   7.80 +/- 0.72   2.007% *  1.0877% (0.54   0.02   0.02) =   0.023%
          HG3   GLN  116 - HN    MET   96  16.12 +/- 1.32   0.024% *  0.9352% (0.46   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  19.09 +/- 0.63   0.007% *  1.8832% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.90 +/- 1.05   0.036% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.07, residual support = 115.6:
      O   HB2   MET   96 - HN    MET   96   3.00 +/- 0.23  99.570% * 99.6054% (0.94  10.0   4.07 115.55) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.22 +/- 0.74   0.363% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.94 +/- 0.61   0.030% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  13.83 +/- 0.63   0.011% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.98 +/- 0.59   0.007% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  16.18 +/- 0.69   0.005% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.85 +/- 0.49   0.012% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  18.21 +/- 0.68   0.002% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.6:
      O   HB3   MET   96 - HN    MET   96   2.51 +/- 0.18  99.969% * 99.5022% (0.57  10.0   3.97 115.55) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  12.13 +/- 0.58   0.009% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.90 +/- 1.42   0.013% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  12.42 +/- 1.02   0.008% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.42 +/- 0.67   0.001% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  20.41 +/- 1.14   0.000% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.40 +/- 2.34   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.187, support = 1.5, residual support = 16.4:
          HB    VAL   43 - HN    MET   96   3.37 +/- 0.34  99.622% * 76.2797% (0.19   1.50  16.41) =  99.986%  kept
          HG2   PRO   93 - HN    MET   96  11.05 +/- 0.65   0.097% *  2.5016% (0.46   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    MET   96  12.36 +/- 0.70   0.054% *  4.4580% (0.82   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HN    MET   96  11.90 +/- 0.45   0.061% *  3.7319% (0.69   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    MET   96  13.78 +/- 0.57   0.026% *  4.2927% (0.79   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HN    MET   96  11.66 +/- 0.57   0.069% *  1.4289% (0.26   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  12.31 +/- 0.77   0.052% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  16.56 +/- 0.73   0.008% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  15.97 +/- 1.03   0.012% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.52, residual support = 2.08:
          QG2   THR   94 - HN    MET   96   4.51 +/- 0.26  96.679% * 95.3997% (0.85   1.52   2.08) =  99.986%  kept
          HG12  ILE   89 - HN    MET   96   8.57 +/- 0.95   2.938% *  0.3109% (0.21   0.02   2.25) =   0.010%
          HB3   LEU   71 - HN    MET   96  12.70 +/- 0.60   0.213% *  1.3210% (0.89   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - HN    MET   96  16.09 +/- 1.00   0.052% *  1.2113% (0.82   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  17.50 +/- 0.99   0.031% *  1.3688% (0.93   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    MET   96  14.66 +/- 0.94   0.087% *  0.3883% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.09 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   4.38 +/- 0.73  93.213% * 96.6032% (0.76   2.96  16.41) =  99.948%  kept
          QG2   THR   46 - HN    MET   96   8.76 +/- 0.93   2.596% *  0.8141% (0.94   0.02   0.02) =   0.023%
          QG1   VAL   41 - HN    MET   96   8.93 +/- 0.49   1.657% *  0.4949% (0.57   0.02   0.02) =   0.009%
          QG2   VAL   18 - HN    MET   96   9.99 +/- 0.84   1.011% *  0.7874% (0.91   0.02   0.02) =   0.009%
          QD2   LEU  104 - HN    MET   96   9.46 +/- 1.08   1.274% *  0.5925% (0.69   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    MET   96  12.40 +/- 0.84   0.250% *  0.7078% (0.82   0.02   0.02) =   0.002%
    Distance limit 4.60 A violated in 0 structures by 0.13 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.83, support = 1.02, residual support = 0.914:
          QD1   LEU   63 - HN    MET   96   5.90 +/- 0.63  29.156% * 56.2177% (0.85   1.10   0.93) =  83.211%  kept
          QD2   LEU   63 - HN    MET   96   7.30 +/- 0.91   9.160% * 32.8657% (0.79   0.69   0.93) =  15.284%  kept
          QD2   LEU  115 - HN    MET   96  10.23 +/- 1.54   1.617% *  8.2705% (0.54   0.26   0.02) =   0.679%  kept
          QD2   LEU   98 - HN    MET   96   5.58 +/- 0.79  43.096% *  0.1761% (0.15   0.02   0.31) =   0.385%
          QD1   LEU   73 - HN    MET   96   8.02 +/- 0.41   4.224% *  1.0237% (0.85   0.02   0.02) =   0.220%
          QG2   VAL   41 - HN    MET   96   7.29 +/- 0.75   8.533% *  0.3174% (0.26   0.02   0.02) =   0.137%
          QD1   LEU  104 - HN    MET   96   9.42 +/- 0.99   2.149% *  0.3523% (0.29   0.02   0.02) =   0.038%
          QD2   LEU   80 - HN    MET   96  10.33 +/- 1.86   1.237% *  0.6005% (0.50   0.02   0.02) =   0.038%
          QD1   LEU   80 - HN    MET   96  10.92 +/- 1.49   0.827% *  0.1761% (0.15   0.02   0.02) =   0.007%
    Distance limit 4.53 A violated in 11 structures by 1.02 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.721, support = 0.748, residual support = 2.24:
          QD1   ILE   89 - HN    MET   96   5.48 +/- 0.72  80.984% * 97.8754% (0.72   0.75   2.25) =  99.704%  kept
          QG2   VAL   83 - HN    MET   96   7.92 +/- 0.99  12.280% *  1.6624% (0.46   0.02   0.02) =   0.257%
          QD2   LEU   31 - HN    MET   96   8.77 +/- 0.68   6.735% *  0.4622% (0.13   0.02   0.02) =   0.039%
    Distance limit 4.40 A violated in 11 structures by 1.08 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.70 +/- 0.49 100.000% *100.0000% (0.87  10.0   3.86  73.51) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.24 +/- 0.47  99.959% * 99.8580% (0.98  10.0   4.19  73.51) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.98 +/- 1.04   0.039% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.35 +/- 0.79   0.001% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 45.6:
          HB    VAL  107 - HN    PHE   95   3.90 +/- 1.03  94.871% * 98.3872% (0.99   3.24  45.66) =  99.977%  kept
          HB3   PHE   45 - HN    PHE   95   7.32 +/- 0.40   4.885% *  0.4206% (0.69   0.02   1.89) =   0.022%
          QE    LYS+ 112 - HN    PHE   95  12.18 +/- 1.29   0.187% *  0.4206% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  16.46 +/- 0.75   0.041% *  0.2298% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.54 +/- 1.10   0.010% *  0.4206% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.67 +/- 1.11   0.005% *  0.1212% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 3 structures by 0.27 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.827, support = 4.2, residual support = 16.3:
          QG2   THR   94 - HN    PHE   95   2.78 +/- 0.22  79.460% * 79.3867% (0.87   4.18  14.44) =  94.036%  kept
          QG2   VAL  107 - HN    PHE   95   3.95 +/- 0.85  20.452% * 19.5620% (0.20   4.52  45.66) =   5.964%  kept
          HG13  ILE  103 - HN    PHE   95   9.44 +/- 1.66   0.072% *  0.2655% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  13.05 +/- 1.04   0.009% *  0.3926% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  14.47 +/- 0.99   0.004% *  0.2131% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  16.76 +/- 0.55   0.002% *  0.1800% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.3:
      O   HB    THR   94 - HN    THR   94   2.73 +/- 0.21  99.808% * 98.9931% (0.65  10.0   3.08  25.25) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94   9.01 +/- 0.75   0.094% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  10.86 +/- 0.71   0.031% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  12.68 +/- 0.45   0.011% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.53 +/- 0.67   0.012% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.17 +/- 1.18   0.016% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  11.19 +/- 0.72   0.022% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  17.62 +/- 0.95   0.002% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.85 +/- 1.01   0.002% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.07 +/- 1.14   0.002% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.82 +/- 0.70   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.69 +/- 0.84   0.000% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.1:
          HB2   PHE   45 - HN    THR   94   2.88 +/- 0.31  99.950% * 98.8926% (0.95   2.96  27.06) = 100.000%  kept
          QE    LYS+ 111 - HN    THR   94  11.20 +/- 1.00   0.043% *  0.7071% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    THR   94  14.63 +/- 1.27   0.007% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.555, support = 1.49, residual support = 26.2:
          HB3   PHE   45 - HN    THR   94   4.39 +/- 0.36  88.369% * 72.7559% (0.57   1.50  27.06) =  96.896%  kept
          HB    VAL  107 - HN    THR   94   7.06 +/- 1.31   9.751% * 20.9921% (0.20   1.24   0.02) =   3.085%  kept
          HG3   MET   96 - HN    THR   94   9.62 +/- 0.92   1.337% *  0.4764% (0.28   0.02   2.08) =   0.010%
          QE    LYS+ 112 - HN    THR   94  12.23 +/- 1.46   0.268% *  0.9701% (0.57   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    THR   94  13.07 +/- 0.63   0.140% *  1.6983% (0.99   0.02   0.02) =   0.004%
          HB3   ASP-  62 - HN    THR   94  13.32 +/- 1.02   0.129% *  1.1770% (0.69   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    THR   94  22.59 +/- 0.98   0.005% *  1.6983% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  27.39 +/- 1.37   0.002% *  0.2319% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.39, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.79 +/- 0.23  92.326% * 99.5171% (0.98  10.0   4.39  15.60) =  99.995%  kept
          HB    VAL  108 - HN    THR   94   6.68 +/- 1.26   5.875% *  0.0697% (0.69   1.0   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    THR   94   7.77 +/- 0.82   1.573% *  0.0417% (0.41   1.0   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    THR   94  12.54 +/- 0.81   0.080% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.69 +/- 0.94   0.074% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  13.73 +/- 0.96   0.048% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  17.46 +/- 0.87   0.010% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.51 +/- 1.74   0.008% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.64 +/- 0.55   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.81 +/- 1.60   0.001% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  33.37 +/- 2.22   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.897, support = 2.73, residual support = 15.6:
      O   HB3   PRO   93 - HN    THR   94   3.69 +/- 0.32  93.240% * 99.0772% (0.90  10.0   2.73  15.60) =  99.996%  kept
          HB3   ASP-  44 - HN    THR   94   6.35 +/- 0.55   5.143% *  0.0538% (0.49   1.0   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    THR   94   8.30 +/- 0.50   0.839% *  0.0958% (0.87   1.0   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    THR   94  10.69 +/- 0.72   0.193% *  0.0958% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.31 +/- 1.57   0.105% *  0.0844% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.11 +/- 0.94   0.171% *  0.0415% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.00 +/- 0.90   0.057% *  0.0844% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  12.73 +/- 0.65   0.063% *  0.0715% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  12.49 +/- 0.51   0.071% *  0.0625% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  12.23 +/- 1.22   0.090% *  0.0307% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.39 +/- 1.51   0.011% *  0.0625% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.39 +/- 1.13   0.004% *  0.0759% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.39 +/- 0.98   0.004% *  0.0715% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.65 +/- 0.85   0.006% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  22.45 +/- 0.93   0.002% *  0.0538% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.57 +/- 1.20   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.347, support = 3.48, residual support = 25.0:
          QG2   THR   94 - HN    THR   94   3.80 +/- 0.27  96.981% * 65.5706% (0.34   3.52  25.25) =  98.689%  kept
          HG12  ILE   89 - HN    THR   94   7.15 +/- 0.83   2.688% * 31.3400% (0.76   0.75   5.50) =   1.307%  kept
          HG3   LYS+ 111 - HN    THR   94  11.18 +/- 0.92   0.183% *  0.9134% (0.84   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - HN    THR   94  14.63 +/- 1.58   0.044% *  0.7941% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    THR   94  13.55 +/- 1.60   0.087% *  0.3375% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  17.94 +/- 0.58   0.010% *  0.8757% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  19.00 +/- 1.28   0.007% *  0.1687% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 5.5:
          QG2   ILE   89 - HN    THR   94   4.24 +/- 0.60  99.432% * 99.1801% (0.90   0.75   5.50) =  99.995%  kept
          QG1   VAL   83 - HN    THR   94  10.51 +/- 1.01   0.568% *  0.8199% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.49 A violated in 1 structures by 0.14 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.157, support = 3.65, residual support = 60.4:
          HG3   MET   92 - HN    MET   92   3.70 +/- 0.40  96.965% * 45.6582% (0.14   3.74  62.18) =  97.083%  kept
          QG    GLN   90 - HN    MET   92   6.97 +/- 0.51   2.969% * 44.7564% (0.87   0.57   0.02) =   2.914%  kept
          HB2   ASP-  44 - HN    MET   92  13.81 +/- 0.57   0.044% *  1.7666% (0.98   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    MET   92  16.74 +/- 0.87   0.014% *  0.9482% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    MET   92  19.69 +/- 0.86   0.005% *  1.6637% (0.92   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  25.85 +/- 1.32   0.001% *  1.8023% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  26.64 +/- 1.36   0.001% *  1.7393% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  26.34 +/- 0.82   0.001% *  0.3567% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  34.41 +/- 1.64   0.000% *  1.3087% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 62.2:
      O   HB2   MET   92 - HN    MET   92   3.10 +/- 0.53  98.194% * 99.5386% (1.00  10.0   3.65  62.18) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.59 +/- 0.36   1.485% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.03 +/- 1.79   0.247% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.07 +/- 0.48   0.039% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  12.91 +/- 1.13   0.028% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.38 +/- 0.99   0.006% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  22.94 +/- 1.06   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  31.19 +/- 0.64   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  25.71 +/- 0.90   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.99 +/- 1.51   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  39.20 +/- 2.42   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.0, residual support = 62.2:
      O   HB3   MET   92 - HN    MET   92   3.87 +/- 0.27  92.677% * 99.1115% (0.57  10.0   4.00  62.18) =  99.997%  kept
          HG3   PRO   93 - HN    MET   92   6.28 +/- 0.77   5.805% *  0.0346% (0.20   1.0   0.02   1.70) =   0.002%
          QG1   ILE   56 - HN    MET   92  10.15 +/- 1.41   0.467% *  0.1338% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    MET   92   8.57 +/- 0.54   0.882% *  0.0437% (0.25   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  13.52 +/- 0.61   0.055% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  12.85 +/- 1.44   0.100% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  18.52 +/- 0.84   0.009% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  23.62 +/- 0.63   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  24.25 +/- 0.48   0.002% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  25.10 +/- 1.11   0.001% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 8.96:
          QB    ALA   91 - HN    MET   92   3.07 +/- 0.29  99.644% * 96.1630% (1.00   3.04   8.96) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   8.29 +/- 1.40   0.341% *  0.4360% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    MET   92  15.13 +/- 0.98   0.008% *  0.4107% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  17.48 +/- 0.96   0.004% *  0.1256% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  23.00 +/- 0.76   0.001% *  0.6334% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  21.29 +/- 0.63   0.001% *  0.3090% (0.49   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  23.57 +/- 1.15   0.001% *  0.5506% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  25.51 +/- 1.52   0.000% *  0.3850% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  26.58 +/- 0.57   0.000% *  0.4360% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  31.91 +/- 1.46   0.000% *  0.5506% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.79:
          HA    ILE   89 - HN    ALA   91   3.43 +/- 0.49  99.687% * 96.1988% (0.61   2.49   7.79) = 100.000%  kept
          HB    THR  118 - HN    ALA   91  16.47 +/- 1.55   0.014% *  1.2060% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  10.34 +/- 1.07   0.217% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  14.13 +/- 0.73   0.024% *  0.2233% (0.18   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.03 +/- 0.44   0.019% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  14.79 +/- 0.90   0.021% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  16.69 +/- 0.44   0.010% *  0.0955% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  18.26 +/- 1.90   0.007% *  0.0648% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  26.48 +/- 1.00   0.001% *  0.5716% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  28.66 +/- 0.97   0.000% *  0.7732% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  22.51 +/- 0.86   0.002% *  0.1490% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  29.79 +/- 1.72   0.000% *  0.5241% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.719, support = 4.96, residual support = 31.8:
          HB2   GLN   90 - HN    ALA   91   4.09 +/- 0.33  62.262% * 95.7246% (0.73   4.97  32.16) =  98.964%  kept
          HB2   GLU-  25 - HN    TRP   27   4.78 +/- 0.12  25.287% *  2.4437% (0.02   3.77   0.16) =   1.026%  kept
          HG3   GLU-  29 - HN    TRP   27   6.09 +/- 0.49   6.557% *  0.0588% (0.11   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    TRP   27   6.46 +/- 0.65   5.143% *  0.0345% (0.07   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    TRP   27   9.13 +/- 0.95   0.645% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   91  14.66 +/- 0.99   0.033% *  0.1050% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.39 +/- 0.28   0.052% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  24.68 +/- 0.79   0.001% *  0.4759% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  18.86 +/- 0.35   0.007% *  0.0620% (0.12   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  18.85 +/- 1.32   0.007% *  0.0476% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  25.13 +/- 1.13   0.001% *  0.2792% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.83 +/- 1.18   0.003% *  0.1050% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  30.33 +/- 1.01   0.000% *  0.5020% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  27.34 +/- 0.65   0.001% *  0.1323% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.991, support = 4.97, residual support = 32.2:
          HB3   GLN   90 - HN    ALA   91   3.20 +/- 0.37  85.037% * 96.1756% (0.99   4.97  32.16) =  99.993%  kept
          HB2   MET   92 - HN    ALA   91   5.28 +/- 0.80   5.964% *  0.0603% (0.15   0.02   8.96) =   0.004%
          HB3   GLN   30 - HN    TRP   27   4.92 +/- 0.62   8.444% *  0.0120% (0.03   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   91  10.54 +/- 1.01   0.090% *  0.3770% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   91  10.74 +/- 1.20   0.091% *  0.3695% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91  10.12 +/- 1.08   0.123% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  12.68 +/- 1.77   0.037% *  0.2212% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.59 +/- 0.44   0.133% *  0.0483% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  15.25 +/- 1.15   0.010% *  0.3770% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  11.96 +/- 0.64   0.040% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  17.81 +/- 1.97   0.005% *  0.3695% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  18.03 +/- 1.38   0.004% *  0.3829% (0.98   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.40 +/- 0.62   0.006% *  0.0457% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  24.11 +/- 0.80   0.001% *  0.3906% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.21 +/- 1.77   0.004% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  19.18 +/- 1.53   0.003% *  0.0478% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  21.08 +/- 0.83   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  28.91 +/- 1.64   0.000% *  0.3606% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  21.05 +/- 1.01   0.001% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  25.09 +/- 1.52   0.000% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.00 +/- 0.39   0.002% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.68 +/- 0.78   0.001% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.61 +/- 1.38   0.001% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  29.37 +/- 1.02   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.12 +/- 1.04   0.001% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  21.53 +/- 0.85   0.001% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  24.49 +/- 1.01   0.000% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  26.85 +/- 1.33   0.000% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.08, residual support = 12.9:
      O   QB    ALA   91 - HN    ALA   91   2.39 +/- 0.16  96.103% * 99.2924% (0.92  10.0   3.08  12.86) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   4.50 +/- 0.87   3.790% *  0.0055% (0.05   1.0   0.02   0.93) =   0.000%
          QG2   ILE   56 - HN    ALA   91  10.07 +/- 1.39   0.025% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.35 +/- 0.30   0.029% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.26 +/- 0.82   0.019% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  11.12 +/- 0.52   0.011% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  15.03 +/- 1.17   0.002% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.80 +/- 1.44   0.006% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  15.95 +/- 1.24   0.001% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.92 +/- 1.62   0.010% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.70 +/- 0.66   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  22.01 +/- 0.84   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  16.74 +/- 1.35   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  23.10 +/- 0.71   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  17.94 +/- 0.43   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.97 +/- 0.79   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  24.43 +/- 1.51   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  25.01 +/- 1.02   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.90 +/- 1.54   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.26 +/- 0.74   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.9:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.989% * 99.2019% (0.18  10.0   5.16 159.89) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.05 +/- 1.29   0.010% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  19.99 +/- 1.31   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.30 +/- 0.16  99.841% * 99.3899% (0.61  10.0   3.13  12.54) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  10.46 +/- 1.29   0.121% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  13.66 +/- 1.29   0.023% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  18.87 +/- 1.24   0.003% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.91 +/- 1.21   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.33 +/- 0.60   0.004% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  19.71 +/- 1.44   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  19.51 +/- 1.27   0.003% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.16 +/- 0.63   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.14 +/- 0.52  99.990% * 99.6785% (0.28  10.0   3.13  12.54) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  16.26 +/- 1.39   0.009% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.86 +/- 0.55   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.794, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  16.63 +/- 1.91  19.689% * 13.6482% (0.95   0.02   0.02) =  26.473%  kept
          QB    GLU- 114 - HN    LYS+ 102  17.55 +/- 1.23  14.478% * 12.0512% (0.84   0.02   0.02) =  17.189%  kept
          HB    ILE   19 - HN    LYS+ 102  17.06 +/- 1.53  15.233% * 11.0262% (0.76   0.02   0.02) =  16.547%  kept
          HG2   PRO   68 - HN    LYS+ 102  18.37 +/- 2.66  12.595% *  9.9106% (0.69   0.02   0.02) =  12.297%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.29 +/- 1.39  20.277% *  3.5976% (0.25   0.02   0.02) =   7.187%  kept
          HB3   PRO   68 - HN    LYS+ 102  19.29 +/- 1.64   7.439% *  8.7509% (0.61   0.02   0.02) =   6.413%  kept
          HB3   GLU-  25 - HN    LYS+ 102  21.70 +/- 1.32   3.607% * 14.4279% (1.00   0.02   0.02) =   5.127%  kept
          HB2   GLN   17 - HN    LYS+ 102  21.62 +/- 1.20   3.587% * 13.6482% (0.95   0.02   0.02) =   4.823%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.58 +/- 1.29   3.094% * 12.9393% (0.90   0.02   0.02) =   3.944%  kept
    Distance limit 4.40 A violated in 20 structures by 7.96 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.65, residual support = 159.9:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.52 +/- 0.13  99.043% * 99.4444% (0.98  10.0   4.65 159.89) = 100.000%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.03 +/- 0.53   0.662% *  0.0455% (0.45   1.0   0.02  22.39) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   7.43 +/- 1.26   0.280% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  11.93 +/- 1.52   0.012% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  16.29 +/- 1.18   0.002% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  19.47 +/- 0.83   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.81 +/- 0.93   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  19.68 +/- 1.45   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  21.56 +/- 1.36   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.38 +/- 0.64   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 3.93, residual support = 122.0:
          HG2   LYS+ 102 - HN    LYS+ 102   3.52 +/- 0.48  63.291% * 60.0034% (0.28   4.41 159.89) =  76.008%  kept
          QB    LEU   98 - HN    LYS+ 102   4.08 +/- 0.91  36.598% * 32.7524% (0.28   2.41   2.02) =  23.991%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  13.85 +/- 2.21   0.040% *  0.5537% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  12.80 +/- 1.84   0.034% *  0.3670% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  14.87 +/- 1.53   0.015% *  0.7474% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  18.03 +/- 2.27   0.006% *  0.9758% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  18.71 +/- 0.82   0.003% *  0.8770% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  17.79 +/- 1.37   0.005% *  0.5537% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  19.78 +/- 1.88   0.002% *  0.9693% (0.99   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  20.34 +/- 0.67   0.002% *  0.9758% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  19.95 +/- 1.53   0.002% *  0.7101% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  19.36 +/- 1.32   0.002% *  0.5145% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.488, support = 1.61, residual support = 1.2:
          QD1   LEU   98 - HN    LYS+ 102   4.72 +/- 0.87  32.325% * 64.2111% (0.18   2.59   2.02) =  59.018%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.13 +/- 0.54  55.175% * 25.8944% (0.95   0.19   0.02) =  40.624%  kept
          QG1   VAL   41 - HN    LYS+ 102   6.11 +/- 1.32  11.625% *  0.9652% (0.34   0.02   0.02) =   0.319%
          QG1   VAL   43 - HN    LYS+ 102   8.49 +/- 1.08   0.824% *  1.4888% (0.53   0.02   0.02) =   0.035%
          QD1   ILE   19 - HN    LYS+ 102  14.94 +/- 1.50   0.029% *  2.8234% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    LYS+ 102  16.49 +/- 1.05   0.014% *  2.1625% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  18.35 +/- 1.15   0.007% *  2.4546% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.36, residual support = 40.3:
      O   HA    ILE   89 - HN    GLN   90   2.64 +/- 0.38  99.975% * 99.5753% (0.61  10.0   6.36  40.29) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.19 +/- 0.94   0.022% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  16.59 +/- 1.27   0.002% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  24.81 +/- 0.97   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  26.87 +/- 0.96   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.30 +/- 1.95   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.07 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.68, residual support = 90.0:
          QG    GLN   90 - HN    GLN   90   2.62 +/- 0.43  99.749% * 97.8109% (0.90   5.68  90.03) =  99.999%  kept
          HG3   MET   92 - HN    GLN   90   8.60 +/- 0.99   0.224% *  0.2328% (0.61   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    GLN   90  12.24 +/- 0.96   0.019% *  0.2787% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  17.60 +/- 1.05   0.002% *  0.3804% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  17.93 +/- 1.21   0.002% *  0.3206% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  16.78 +/- 1.33   0.002% *  0.0957% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  21.96 +/- 1.22   0.000% *  0.2787% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  24.93 +/- 1.44   0.000% *  0.2933% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  24.09 +/- 1.72   0.000% *  0.2328% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  32.44 +/- 2.37   0.000% *  0.0760% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 90.0:
      O   HB3   GLN   90 - HN    GLN   90   3.61 +/- 0.23  95.679% * 99.1031% (0.92  10.0   5.59  90.03) =  99.998%  kept
          HB2   MET   92 - HN    GLN   90   6.94 +/- 0.97   3.463% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   90   9.07 +/- 1.14   0.551% *  0.1036% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   90  10.49 +/- 1.15   0.200% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  13.16 +/- 1.85   0.058% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  15.55 +/- 1.45   0.019% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  16.96 +/- 1.85   0.011% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  17.73 +/- 1.26   0.007% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  18.98 +/- 1.04   0.005% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  22.31 +/- 0.91   0.002% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  19.83 +/- 1.14   0.004% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.85 +/- 0.81   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  27.85 +/- 1.53   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.14 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.21, residual support = 40.3:
          QG2   ILE   89 - HN    GLN   90   2.02 +/- 0.40 100.000% *100.0000% (0.65   7.21  40.29) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.8, residual support = 40.3:
          QD1   ILE   89 - HN    GLN   90   4.12 +/- 0.32  93.518% * 99.5396% (0.49   5.80  40.29) =  99.988%  kept
          QG2   VAL   83 - HN    GLN   90   7.27 +/- 1.23   4.716% *  0.1758% (0.25   0.02   0.02) =   0.009%
          QG2   VAL   75 - HN    GLN   90   8.46 +/- 1.22   1.712% *  0.1758% (0.25   0.02   0.02) =   0.003%
          QG2   VAL   42 - HN    GLN   90  14.63 +/- 0.51   0.053% *  0.1088% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.07 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 7.92:
      O   HA    ALA   88 - HN    ILE   89   3.21 +/- 0.28  97.227% * 99.4024% (0.99  10.0   4.13   7.92) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   5.88 +/- 0.63   2.649% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ILE   89  10.60 +/- 0.90   0.075% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  13.84 +/- 1.21   0.019% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  14.02 +/- 1.30   0.020% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  19.30 +/- 0.71   0.002% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  21.38 +/- 1.25   0.001% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  20.38 +/- 0.98   0.002% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  20.90 +/- 1.48   0.002% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  24.24 +/- 1.18   0.001% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  24.37 +/- 0.76   0.001% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  22.45 +/- 0.77   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  26.19 +/- 0.82   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.09 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.01, residual support = 215.7:
      O   HA    ILE   89 - HN    ILE   89   2.63 +/- 0.22  99.996% * 99.5011% (0.34  10.0   6.01 215.70) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  16.81 +/- 1.33   0.002% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  16.07 +/- 0.90   0.002% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  25.10 +/- 1.19   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  23.28 +/- 0.95   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  28.38 +/- 1.70   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.58, residual support = 215.7:
      O   HB    ILE   89 - HN    ILE   89   2.76 +/- 0.52  99.824% * 99.6919% (0.45  10.0   5.58 215.70) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89   9.43 +/- 1.27   0.118% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89  10.22 +/- 0.66   0.056% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  19.76 +/- 1.04   0.001% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.10 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.77, residual support = 215.7:
          HG12  ILE   89 - HN    ILE   89   2.21 +/- 0.50  99.498% * 97.9173% (0.76   5.77 215.70) =  99.999%  kept
          QB    ALA   91 - HN    ILE   89   6.52 +/- 1.14   0.496% *  0.1372% (0.31   0.02   7.79) =   0.001%
          HG2   LYS+  74 - HN    ILE   89  14.37 +/- 0.99   0.003% *  0.3855% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  16.40 +/- 1.55   0.001% *  0.3053% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  21.68 +/- 1.49   0.000% *  0.3986% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  21.77 +/- 1.01   0.000% *  0.3712% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  21.35 +/- 0.91   0.000% *  0.2875% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  19.53 +/- 0.95   0.000% *  0.1372% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  25.89 +/- 1.77   0.000% *  0.0601% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.35, residual support = 215.7:
          QG2   ILE   89 - HN    ILE   89   3.67 +/- 0.07  98.061% * 99.7862% (1.00   6.35 215.70) =  99.997%  kept
          QG1   VAL   83 - HN    ILE   89   7.35 +/- 0.72   1.921% *  0.1653% (0.53   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    ILE   89  16.33 +/- 1.69   0.018% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.53, residual support = 215.7:
          HG13  ILE   89 - HN    ILE   89   3.28 +/- 0.68 100.000% *100.0000% (0.90   5.53 215.70) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.08 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.4:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.01  99.981% * 99.0917% (0.84  10.0   1.63  11.41) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.54 +/- 0.40   0.017% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  15.98 +/- 1.28   0.001% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  16.66 +/- 1.22   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.82 +/- 0.91   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  20.70 +/- 1.32   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  20.82 +/- 0.72   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  23.97 +/- 1.22   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.99 +/- 1.41   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  23.30 +/- 0.87   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.9, residual support = 11.4:
      O   QB    ALA   88 - HN    ALA   88   2.90 +/- 0.08  94.530% * 99.0753% (0.73  10.0   1.90  11.41) =  99.998%  kept
          QB    ALA   84 - HN    ALA   88   4.80 +/- 0.20   4.876% *  0.0222% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   7.51 +/- 0.76   0.487% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88   9.54 +/- 0.62   0.082% *  0.0986% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  14.54 +/- 0.53   0.006% *  0.0644% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  13.48 +/- 1.46   0.012% *  0.0320% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  16.66 +/- 1.21   0.003% *  0.1199% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  18.24 +/- 1.78   0.002% *  0.1288% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  21.96 +/- 1.21   0.001% *  0.1436% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  19.84 +/- 0.70   0.001% *  0.0813% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  25.33 +/- 1.20   0.000% *  0.1407% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  26.39 +/- 1.53   0.000% *  0.0443% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 70.3:
      O   HB2   TRP   87 - HN    TRP   87   3.71 +/- 0.02  99.953% * 99.8429% (0.73  10.0   3.84  70.32) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.13 +/- 0.66   0.035% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  17.34 +/- 0.64   0.010% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  22.24 +/- 1.83   0.002% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.92, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.57 +/- 0.08  99.986% * 97.4692% (0.80   3.92  22.49) = 100.000%  kept
          HB2   ASN   28 - HN    TRP   87  14.59 +/- 0.67   0.003% *  0.6212% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    TRP   87  14.19 +/- 0.63   0.004% *  0.3268% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  12.95 +/- 0.45   0.006% *  0.0959% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  19.99 +/- 1.47   0.001% *  0.6089% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  20.20 +/- 1.59   0.000% *  0.2785% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  23.14 +/- 0.93   0.000% *  0.5995% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 70.3:
      O   HB3   TRP   87 - HN    TRP   87   3.01 +/- 0.05  99.995% * 99.8532% (1.00  10.0   3.71  70.32) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  16.15 +/- 0.72   0.004% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.59 +/- 1.45   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.24, residual support = 5.18:
          QB    ALA   88 - HN    TRP   87   4.43 +/- 0.06  92.843% * 96.6922% (0.53   2.25   5.18) =  99.886%  kept
          QG2   THR   77 - HN    TRP   87   7.06 +/- 0.64   6.881% *  1.4667% (0.90   0.02   0.02) =   0.112%
          QG2   THR   23 - HN    TRP   87  12.59 +/- 0.59   0.188% *  0.8605% (0.53   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    TRP   87  14.78 +/- 0.90   0.074% *  0.3641% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  20.28 +/- 1.13   0.011% *  0.2523% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  23.43 +/- 1.10   0.004% *  0.3641% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 2.05, residual support = 17.5:
          QD1   ILE   89 - HN    TRP   87   4.10 +/- 0.28  55.095% * 77.8563% (0.76   2.39  18.04) =  81.750%  kept
          QG2   VAL   83 - HN    TRP   87   4.30 +/- 0.59  44.736% * 21.4032% (0.97   0.52  15.02) =  18.248%  kept
          QD2   LEU   31 - HN    TRP   87  11.35 +/- 0.97   0.169% *  0.7405% (0.87   0.02   1.72) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.481, support = 0.938, residual support = 15.4:
          QG2   VAL   83 - HE1   TRP   87   2.12 +/- 0.70  95.784% * 25.0080% (0.45   0.85  15.02) =  88.339%  kept
          QD1   ILE   89 - HE1   TRP   87   4.39 +/- 0.39   4.216% * 74.9920% (0.73   1.58  18.04) =  11.661%  kept
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.31, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   3.02 +/- 0.10  94.204% * 83.9917% (0.76   3.33  13.43) =  99.292%  kept
          HA    ALA   88 - HN    ASP-  86   5.06 +/- 0.10   4.340% * 12.9661% (0.69   0.57   0.02) =   0.706%  kept
          HB2   SER   82 - HN    ASP-  86   6.28 +/- 0.51   1.357% *  0.1018% (0.15   0.02   0.02) =   0.002%
          HB    THR   94 - HN    ASP-  86  10.07 +/- 0.67   0.074% *  0.1018% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  13.61 +/- 1.28   0.014% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  15.93 +/- 1.22   0.005% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.12 +/- 0.87   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  18.47 +/- 1.30   0.002% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  26.04 +/- 0.60   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  26.94 +/- 0.86   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  27.05 +/- 1.18   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   3.00 +/- 0.10  99.992% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  17.78 +/- 0.63   0.002% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  18.03 +/- 1.13   0.002% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.19 +/- 1.03   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  20.47 +/- 1.06   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  23.22 +/- 0.78   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.01, residual support = 41.7:
      O   HB2   ASP-  86 - HN    ASP-  86   2.53 +/- 0.19  99.989% * 99.6258% (0.98  10.0   5.01  41.71) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  13.53 +/- 0.74   0.005% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.53 +/- 0.51   0.005% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  19.95 +/- 1.62   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  20.36 +/- 1.61   0.000% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  24.36 +/- 1.06   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.7:
      O   HB3   ASP-  86 - HN    ASP-  86   2.84 +/- 0.62  99.945% * 99.2823% (0.41  10.0   3.56  41.71) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  11.49 +/- 0.91   0.050% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  17.35 +/- 1.03   0.004% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  24.02 +/- 0.72   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  24.86 +/- 1.29   0.000% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.1:
      O   QB    SER   85 - HN    SER   85   2.14 +/- 0.05  98.978% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.90 +/- 0.18   0.715% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.68 +/- 0.19   0.292% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          HB    THR   94 - HN    SER   85  10.21 +/- 0.82   0.009% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  11.88 +/- 1.34   0.005% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.25 +/- 1.29   0.001% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.92 +/- 0.86   0.000% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  20.18 +/- 1.14   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  26.59 +/- 0.64   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  27.68 +/- 0.75   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  28.07 +/- 1.14   0.000% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.61 +/- 0.02  99.802% * 99.3529% (0.49  10.0   3.27  20.73) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  10.48 +/- 0.52   0.175% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  17.90 +/- 1.07   0.007% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  16.94 +/- 1.25   0.010% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  23.52 +/- 1.16   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  22.90 +/- 1.19   0.002% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  22.32 +/- 0.69   0.002% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.67 +/- 0.11  99.473% * 95.9097% (1.00   3.87  20.73) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   6.58 +/- 0.39   0.505% *  0.2615% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   85  15.39 +/- 1.26   0.004% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  15.27 +/- 1.37   0.003% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  14.98 +/- 0.40   0.003% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  14.55 +/- 0.87   0.004% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  16.23 +/- 1.48   0.002% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  16.17 +/- 1.03   0.002% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  21.03 +/- 0.78   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  18.76 +/- 0.53   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  21.25 +/- 2.47   0.000% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  21.24 +/- 1.56   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  25.01 +/- 1.74   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  22.48 +/- 1.60   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  28.14 +/- 1.46   0.000% *  0.4458% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  26.58 +/- 1.23   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 18.4:
      O   HA    ALA   84 - HN    ALA   84   2.77 +/- 0.02  99.779% * 99.3529% (0.49  10.0   3.95  18.42) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84   7.83 +/- 0.51   0.216% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  16.94 +/- 0.89   0.002% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  16.91 +/- 1.10   0.002% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  22.22 +/- 1.00   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  22.10 +/- 1.09   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  20.69 +/- 0.69   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 42.6:
          HB    VAL   83 - HN    ALA   84   3.23 +/- 0.26  99.918% * 97.8569% (0.99   5.35  42.64) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  12.55 +/- 0.76   0.038% *  0.1517% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.58 +/- 1.10   0.010% *  0.1942% (0.53   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  18.41 +/- 2.62   0.004% *  0.2680% (0.73   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  13.93 +/- 0.60   0.017% *  0.0646% (0.18   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  15.88 +/- 0.86   0.008% *  0.0646% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  22.68 +/- 1.06   0.001% *  0.3562% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  23.27 +/- 0.78   0.001% *  0.3658% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  23.60 +/- 1.15   0.001% *  0.3492% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  22.51 +/- 1.50   0.001% *  0.0920% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.52 +/- 1.17   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  28.54 +/- 1.20   0.000% *  0.1797% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.29, residual support = 18.4:
      O   QB    ALA   84 - HN    ALA   84   2.03 +/- 0.04  97.474% * 99.0428% (0.87  10.0   4.29  18.42) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   4.08 +/- 0.51   2.518% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   84  12.25 +/- 0.86   0.002% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.31 +/- 1.31   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.96 +/- 0.42   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  14.34 +/- 1.35   0.001% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  15.96 +/- 1.38   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.92 +/- 0.55   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  14.77 +/- 0.88   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  21.00 +/- 2.40   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  19.23 +/- 0.92   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  20.61 +/- 1.52   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.18 +/- 1.70   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  24.33 +/- 1.30   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  26.95 +/- 1.39   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  25.05 +/- 2.23   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.692, support = 5.8, residual support = 41.8:
          QG1   VAL   83 - HN    ALA   84   4.11 +/- 0.42  73.889% * 93.3908% (0.69   5.90  42.64) =  98.103%  kept
          QD2   LEU   80 - HN    ALA   84   5.15 +/- 0.65  25.810% *  5.1660% (0.95   0.24   0.02) =   1.896%  kept
          QD1   LEU   73 - HN    ALA   84  10.95 +/- 0.77   0.248% *  0.2793% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   84  15.22 +/- 0.86   0.032% *  0.2793% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  18.05 +/- 1.60   0.011% *  0.4595% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  18.59 +/- 1.67   0.011% *  0.4251% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.09 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.38, residual support = 42.6:
          QG2   VAL   83 - HN    ALA   84   3.02 +/- 0.62  95.998% * 99.3048% (0.76   6.38  42.64) =  99.992%  kept
          QD1   ILE   89 - HN    ALA   84   5.88 +/- 0.46   3.285% *  0.1982% (0.49   0.02  11.94) =   0.007%
          QG2   VAL   43 - HN    ALA   84   7.65 +/- 0.60   0.650% *  0.0907% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   31 - HN    ALA   84  11.48 +/- 0.86   0.067% *  0.4063% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 19.5:
          HB2   SER   82 - HN    VAL   83   3.38 +/- 0.26  99.612% * 97.0093% (0.75   4.10  19.47) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.89 +/- 0.24   0.324% *  0.2681% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  14.15 +/- 1.31   0.025% *  0.3792% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  14.46 +/- 0.61   0.018% *  0.4642% (0.74   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  17.96 +/- 0.77   0.005% *  0.4694% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.04 +/- 0.85   0.007% *  0.2491% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  20.05 +/- 0.84   0.003% *  0.4247% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.14 +/- 0.74   0.005% *  0.1615% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  21.82 +/- 0.86   0.001% *  0.2872% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  25.59 +/- 1.13   0.001% *  0.2872% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.7, residual support = 86.8:
      O   HA    VAL   83 - HN    VAL   83   2.78 +/- 0.02  99.993% * 99.4506% (0.46  10.0   4.70  86.78) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.49 +/- 0.79   0.004% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  17.19 +/- 0.64   0.002% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.40 +/- 0.88   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  20.64 +/- 1.21   0.001% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  22.70 +/- 0.93   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 86.8:
      O   HB    VAL   83 - HN    VAL   83   2.32 +/- 0.52  99.984% * 99.4176% (0.75  10.0   4.77  86.78) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  13.04 +/- 0.72   0.009% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  18.15 +/- 2.88   0.001% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  17.76 +/- 1.19   0.001% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  16.32 +/- 0.65   0.002% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  22.41 +/- 0.72   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.14 +/- 0.97   0.001% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  23.05 +/- 1.26   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  24.60 +/- 1.09   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.68 +/- 1.43   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.70 +/- 1.16   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.44 +/- 1.09   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.192, support = 0.0198, residual support = 0.0198:
          HB2   LEU   80 - HN    VAL   83   4.17 +/- 0.60  99.217% *  2.8578% (0.19   0.02   0.02) =  97.855%  kept
          HB3   LEU   73 - HN    VAL   83  11.60 +/- 0.99   0.345% *  9.9416% (0.65   0.02   0.02) =   1.184%  kept
          QB    LEU   98 - HN    VAL   83  13.84 +/- 1.00   0.112% *  7.8727% (0.52   0.02   0.02) =   0.304%
          HB3   LYS+  74 - HN    VAL   83  12.66 +/- 0.86   0.180% *  4.7118% (0.31   0.02   0.02) =   0.292%
          HB    VAL   42 - HN    VAL   83  17.02 +/- 0.74   0.030% * 10.5799% (0.70   0.02   0.02) =   0.111%
          HG3   LYS+ 106 - HN    VAL   83  17.01 +/- 1.35   0.033% *  7.4142% (0.49   0.02   0.02) =   0.085%
          HG3   LYS+  33 - HN    VAL   83  19.08 +/- 1.66   0.016% * 11.0607% (0.73   0.02   0.02) =   0.061%
          HG3   LYS+ 102 - HN    VAL   83  20.66 +/- 2.71   0.014% *  9.5730% (0.63   0.02   0.02) =   0.048%
          HB3   PRO   93 - HN    VAL   83  16.34 +/- 1.39   0.040% *  1.7684% (0.12   0.02   0.02) =   0.024%
          QB    ALA   12 - HN    VAL   83  24.07 +/- 2.37   0.004% * 10.5799% (0.70   0.02   0.02) =   0.013%
          HG3   LYS+  65 - HN    VAL   83  24.80 +/- 1.40   0.003% * 10.5799% (0.70   0.02   0.02) =   0.012%
          HB2   LYS+ 112 - HN    VAL   83  26.16 +/- 1.58   0.002% *  8.7588% (0.58   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HN    VAL   83  24.70 +/- 1.16   0.003% *  4.3014% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.77 A violated in 5 structures by 0.52 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.732, support = 5.2, residual support = 83.5:
          QG1   VAL   83 - HN    VAL   83   2.66 +/- 0.42  76.571% * 88.1803% (0.75   5.34  86.78) =  96.264%  kept
          QD2   LEU   80 - HN    VAL   83   3.90 +/- 0.95  23.235% * 11.2765% (0.31   1.64   0.02) =   3.735%  kept
          QG2   ILE   89 - HN    VAL   83   7.35 +/- 0.31   0.192% *  0.2023% (0.46   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    VAL   83  18.20 +/- 1.50   0.001% *  0.2157% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  19.92 +/- 1.52   0.000% *  0.1252% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.29, residual support = 86.8:
          QG2   VAL   83 - HN    VAL   83   3.22 +/- 0.61  98.892% * 99.3976% (0.74   5.29  86.78) =  99.996%  kept
          QD1   ILE   89 - HN    VAL   83   7.46 +/- 0.54   0.985% *  0.3699% (0.73   0.02   0.02) =   0.004%
          QD2   LEU   31 - HN    VAL   83  10.50 +/- 0.81   0.123% *  0.2325% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.01, residual support = 33.3:
      O   HB2   SER   82 - HN    SER   82   2.30 +/- 0.44  99.951% * 99.3063% (0.87  10.0   4.01  33.32) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.73 +/- 0.26   0.038% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  13.82 +/- 1.46   0.006% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  15.92 +/- 0.63   0.002% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  19.71 +/- 0.75   0.001% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  21.97 +/- 0.80   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  19.00 +/- 0.82   0.001% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.15 +/- 0.82   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.52 +/- 0.92   0.001% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  27.57 +/- 1.38   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  25.69 +/- 0.77   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.41, residual support = 33.3:
      O   HB3   SER   82 - HN    SER   82   2.99 +/- 0.35  99.948% * 99.2682% (0.69  10.0   3.41  33.32) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.15 +/- 0.26   0.045% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.23 +/- 0.73   0.003% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.72 +/- 1.06   0.001% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  24.52 +/- 1.02   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  23.92 +/- 1.08   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.67 +/- 1.09   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  27.06 +/- 2.04   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.54, residual support = 12.9:
          QB    LYS+  81 - HN    SER   82   3.07 +/- 0.25  99.902% * 96.3407% (0.97   4.54  12.94) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  11.41 +/- 1.68   0.071% *  0.4064% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  16.11 +/- 0.96   0.006% *  0.4315% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  14.88 +/- 0.90   0.009% *  0.2316% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  18.71 +/- 0.82   0.002% *  0.3819% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  16.73 +/- 0.83   0.005% *  0.1652% (0.38   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  19.61 +/- 2.46   0.002% *  0.3024% (0.69   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  21.61 +/- 1.22   0.001% *  0.3819% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  22.53 +/- 1.22   0.001% *  0.3197% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  23.27 +/- 1.10   0.001% *  0.3364% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  26.82 +/- 0.99   0.000% *  0.3197% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  30.37 +/- 1.12   0.000% *  0.2848% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  26.18 +/- 1.17   0.000% *  0.0980% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.904, support = 3.98, residual support = 16.4:
          QG1   VAL   83 - HN    SER   82   4.74 +/- 0.48  51.273% * 81.7898% (0.95   4.50  19.47) =  83.826%  kept
          QD2   LEU   80 - HN    SER   82   4.86 +/- 1.15  46.896% * 17.2484% (0.69   1.31   0.28) =  16.169%  kept
          QG2   ILE   89 - HN    SER   82   8.37 +/- 0.52   1.586% *  0.1311% (0.34   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    SER   82  11.97 +/- 0.99   0.213% *  0.1186% (0.31   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    SER   82  20.38 +/- 1.54   0.009% *  0.3447% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  17.81 +/- 0.84   0.017% *  0.1186% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  21.45 +/- 1.73   0.006% *  0.2486% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.09 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 101.8:
      O   QB    LYS+  81 - HN    LYS+  81   2.20 +/- 0.19  99.986% * 99.1460% (0.97  10.0   5.22 101.80) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  11.28 +/- 1.73   0.010% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  16.75 +/- 0.98   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  15.20 +/- 0.85   0.001% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  16.30 +/- 1.09   0.001% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  19.14 +/- 0.84   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.78 +/- 1.06   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  21.00 +/- 2.33   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.90 +/- 1.39   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  23.90 +/- 1.19   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  27.82 +/- 0.98   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.00 +/- 1.30   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  30.17 +/- 1.07   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.94, residual support = 101.8:
          QG    LYS+  81 - HN    LYS+  81   2.80 +/- 0.45  99.986% * 98.7707% (0.97   4.94 101.80) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.01 +/- 0.79   0.011% *  0.1415% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  19.39 +/- 1.66   0.001% *  0.3828% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  21.17 +/- 0.83   0.001% *  0.3923% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  24.21 +/- 1.19   0.000% *  0.1280% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.00 +/- 1.49   0.000% *  0.0923% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  28.02 +/- 1.52   0.000% *  0.0923% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.03 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.412, support = 5.37, residual support = 32.6:
          QD2   LEU   80 - HN    LYS+  81   4.89 +/- 0.95  37.176% * 77.5085% (0.53   5.54  32.56) =  69.291%  kept
          QD1   LEU   80 - HN    LYS+  81   4.28 +/- 0.55  62.600% * 20.3990% (0.15   4.97  32.56) =  30.708%  kept
          QD1   LEU   73 - HN    LYS+  81  12.23 +/- 0.97   0.112% *  0.4768% (0.90   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LYS+  81  17.61 +/- 0.89   0.012% *  0.4768% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  14.67 +/- 0.97   0.034% *  0.1478% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  14.03 +/- 1.07   0.049% *  0.0820% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  19.26 +/- 1.02   0.007% *  0.4440% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  21.11 +/- 1.91   0.006% *  0.3010% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  21.12 +/- 1.60   0.005% *  0.1641% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.575, support = 3.32, residual support = 13.3:
          HB2   ASP-  78 - HN    GLU-  79   3.25 +/- 0.44  52.350% * 72.1650% (0.60   3.87  16.61) =  74.578%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.28 +/- 0.62  47.618% * 27.0443% (0.51   1.70   3.64) =  25.422%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.80 +/- 0.40   0.023% *  0.0515% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  14.81 +/- 0.80   0.006% *  0.1565% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  19.30 +/- 1.68   0.001% *  0.2003% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.06 +/- 1.69   0.001% *  0.1059% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.58 +/- 0.44   0.000% *  0.2765% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 4.11, residual support = 55.0:
      O   HB2   GLU-  79 - HN    GLU-  79   2.58 +/- 0.23  99.989% * 98.3341% (0.09  10.0   4.11  54.95) = 100.000%  kept
          HG3   GLU-  25 - HN    GLU-  79  13.19 +/- 1.25   0.008% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  79  15.78 +/- 1.33   0.002% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  21.54 +/- 1.43   0.000% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  20.79 +/- 0.79   0.000% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  26.21 +/- 1.69   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  26.77 +/- 0.92   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.92, residual support = 55.0:
      O   HB3   GLU-  79 - HN    GLU-  79   2.85 +/- 0.42  99.923% * 99.6469% (0.59  10.0   3.92  54.95) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  10.91 +/- 1.79   0.069% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  17.20 +/- 0.89   0.003% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.28 +/- 0.71   0.004% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.96 +/- 0.60   0.001% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.29 +/- 0.66   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.05 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 38.9:
      O   HB3   ASP-  78 - HN    ASP-  78   2.67 +/- 0.59  99.686% * 99.4250% (0.49  10.0   3.95  38.91) =  99.999%  kept
          QE    LYS+  74 - HN    ASP-  78   8.81 +/- 1.15   0.167% *  0.2002% (0.98   1.0   0.02   0.02) =   0.000%
          QB    CYS   50 - HN    ASP-  78   8.84 +/- 1.14   0.143% *  0.1971% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  16.34 +/- 0.86   0.004% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.73 +/- 0.66   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 5.09, residual support = 37.9:
      O   HB2   ASP-  78 - HN    ASP-  78   2.70 +/- 0.50  87.595% * 82.2655% (0.98  10.0   5.09  38.91) =  97.070%  kept
          HB2   ASP-  76 - HN    ASP-  78   4.15 +/- 0.62  12.388% * 17.5603% (0.84   1.0   5.01   3.06) =   2.930%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.29 +/- 0.54   0.013% *  0.0114% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.69 +/- 0.81   0.002% *  0.0345% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.55 +/- 1.69   0.001% *  0.0442% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  19.52 +/- 1.54   0.001% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.87 +/- 0.34   0.000% *  0.0609% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.61, residual support = 28.3:
      O   HA    THR   77 - HN    ASP-  78   3.52 +/- 0.03  99.874% * 99.9219% (0.92  10.0   4.61  28.26) = 100.000%  kept
          HB2   TRP   27 - HN    ASP-  78  12.06 +/- 0.59   0.064% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASP-  78  13.71 +/- 1.78   0.059% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.47 +/- 0.66   0.004% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.41, residual support = 3.06:
          HA    ASP-  76 - HN    ASP-  78   3.53 +/- 0.14  99.999% * 99.6404% (0.95   2.41   3.06) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.45 +/- 1.29   0.001% *  0.3596% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.02, residual support = 37.8:
      O   HA    THR   77 - HN    THR   77   2.76 +/- 0.02  99.937% * 99.8846% (0.98  10.0   4.02  37.75) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  11.72 +/- 1.53   0.038% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.13 +/- 0.69   0.025% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.948, support = 3.52, residual support = 14.6:
          HB2   ASP-  76 - HN    THR   77   4.48 +/- 0.27  70.449% * 60.1806% (1.00   3.64  10.91) =  78.532%  kept
          HB2   ASP-  78 - HN    THR   77   5.30 +/- 0.60  29.495% * 39.2930% (0.76   3.10  28.26) =  21.467%  kept
          HB2   ASN   28 - HN    THR   77  16.04 +/- 0.86   0.036% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.51 +/- 1.61   0.012% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.77 +/- 0.31   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.51 +/- 1.02   0.006% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 10.9:
          HB3   ASP-  76 - HN    THR   77   4.11 +/- 0.28  90.514% * 95.2550% (0.57   3.64  10.91) =  99.964%  kept
          QG    GLN   90 - HN    THR   77   7.50 +/- 2.06   8.319% *  0.3155% (0.34   0.02   0.02) =   0.030%
          HG3   MET   92 - HN    THR   77  12.14 +/- 1.92   0.333% *  0.9250% (1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    THR   77   9.38 +/- 0.45   0.721% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR   77  17.50 +/- 0.73   0.017% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.41 +/- 0.70   0.056% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.40 +/- 0.86   0.013% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  19.21 +/- 1.00   0.010% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.12 +/- 1.46   0.008% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  20.49 +/- 1.25   0.006% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.44 +/- 0.95   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.02, residual support = 37.8:
          QG2   THR   77 - HN    THR   77   1.99 +/- 0.13  99.858% * 96.0877% (0.61   4.02  37.75) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   6.65 +/- 1.02   0.124% *  0.3241% (0.41   0.02   0.56) =   0.000%
          QB    ALA   88 - HN    THR   77  10.81 +/- 0.62   0.005% *  0.7456% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.20 +/- 0.67   0.013% *  0.1755% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  15.89 +/- 0.92   0.000% *  0.2433% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  17.43 +/- 0.70   0.000% *  0.4463% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  19.32 +/- 0.94   0.000% *  0.5099% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  23.76 +/- 0.83   0.000% *  0.7069% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  26.78 +/- 0.68   0.000% *  0.7607% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.892, support = 0.0199, residual support = 0.459:
          QB    ALA   47 - HN    THR   77   5.88 +/- 0.58  97.183% * 35.5714% (0.90   0.02   0.47) =  97.916%  kept
          QG1   VAL   42 - HN    THR   77  11.64 +/- 0.55   1.860% * 31.7600% (0.80   0.02   0.02) =   1.673%  kept
          QB    ALA   64 - HN    THR   77  13.31 +/- 0.52   0.875% * 14.8861% (0.38   0.02   0.02) =   0.369%
          HG2   LYS+ 112 - HN    THR   77  19.87 +/- 1.80   0.083% * 17.7824% (0.45   0.02   0.02) =   0.042%
    Distance limit 4.26 A violated in 18 structures by 1.60 A, eliminated.
    Peak unassigned.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.4:
      O   HA    VAL   75 - HN    VAL   75   2.93 +/- 0.00  99.920% * 99.8428% (0.97  10.0   5.27  84.44) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  10.14 +/- 0.94   0.067% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.66 +/- 0.94   0.011% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  18.10 +/- 1.18   0.002% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 0.749, residual support = 0.749:
          HB2   ASP-  44 - HN    VAL   75   4.42 +/- 0.42  96.652% * 87.0932% (0.87   0.75   0.75) =  99.924%  kept
          HB3   PHE   72 - HN    VAL   75   8.62 +/- 0.72   2.415% *  2.0462% (0.76   0.02   0.02) =   0.059%
          QG    GLN   90 - HN    VAL   75  11.19 +/- 1.52   0.552% *  1.8392% (0.69   0.02   0.02) =   0.012%
          QG    GLU-  15 - HN    VAL   75  15.43 +/- 1.24   0.068% *  2.5328% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    VAL   75  15.59 +/- 1.34   0.071% *  2.2364% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  14.41 +/- 1.55   0.158% *  0.4689% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  15.03 +/- 0.58   0.072% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  23.30 +/- 1.75   0.006% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  22.26 +/- 0.89   0.007% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.14 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.21, support = 4.29, residual support = 30.9:
          HB3   LYS+  74 - HN    VAL   75   4.15 +/- 0.22  87.133% * 44.3495% (0.20   4.37  31.68) =  97.621%  kept
          HG    LEU   73 - HN    VAL   75   7.94 +/- 0.20   1.804% * 48.1272% (0.76   1.23   0.18) =   2.193%  kept
          HG    LEU   80 - HN    VAL   75   7.23 +/- 1.32   5.018% *  0.8900% (0.87   0.02   0.55) =   0.113%
          HB2   LEU   80 - HN    VAL   75   7.33 +/- 1.14   4.517% *  0.3500% (0.34   0.02   0.55) =   0.040%
          QB    ALA   61 - HN    VAL   75   9.35 +/- 0.93   0.858% *  1.0057% (0.98   0.02   0.02) =   0.022%
          HG12  ILE   19 - HN    VAL   75  10.85 +/- 0.80   0.316% *  0.7841% (0.76   0.02   0.02) =   0.006%
          QB    ALA  110 - HN    VAL   75  12.84 +/- 0.96   0.112% *  0.8570% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    VAL   75  15.02 +/- 1.16   0.042% *  1.0237% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  15.78 +/- 0.83   0.031% *  0.9471% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.37 +/- 0.90   0.061% *  0.2853% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  15.00 +/- 1.13   0.045% *  0.2853% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  15.07 +/- 1.86   0.048% *  0.2030% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  20.29 +/- 1.36   0.007% *  0.6637% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  19.65 +/- 1.18   0.009% *  0.2284% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.64, residual support = 31.7:
          HG2   LYS+  74 - HN    VAL   75   3.31 +/- 0.82  98.162% * 95.1899% (0.45   5.64  31.68) =  99.992%  kept
          QG2   ILE   56 - HN    VAL   75   9.32 +/- 1.29   0.500% *  0.6529% (0.87   0.02   0.02) =   0.003%
          QG2   THR   23 - HN    VAL   75   8.90 +/- 1.00   0.950% *  0.2568% (0.34   0.02   0.02) =   0.003%
          HG13  ILE   19 - HN    VAL   75  10.97 +/- 0.66   0.139% *  0.5170% (0.69   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    VAL   75  12.25 +/- 0.40   0.072% *  0.7264% (0.97   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  12.19 +/- 0.48   0.077% *  0.5170% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.90 +/- 0.72   0.037% *  0.7264% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  13.48 +/- 1.32   0.057% *  0.3094% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.10 +/- 0.99   0.005% *  0.3664% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  22.14 +/- 1.08   0.002% *  0.7378% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.942, support = 4.52, residual support = 84.0:
      O   HB    VAL   75 - HN    VAL   75   2.63 +/- 0.31  95.234% * 86.0997% (0.95  10.0   4.51  84.44) =  99.219%  kept
          HG3   LYS+  74 - HN    VAL   75   4.51 +/- 0.45   4.715% * 13.6868% (0.49   1.0   6.18  31.68) =   0.781%  kept
          QD2   LEU   40 - HN    VAL   75  12.06 +/- 1.20   0.017% *  0.0696% (0.76   1.0   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   75  11.98 +/- 1.33   0.014% *  0.0661% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.22 +/- 1.01   0.008% *  0.0552% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.36 +/- 0.75   0.012% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.661, support = 0.566, residual support = 1.71:
          QG2   THR   46 - HN    VAL   75   3.99 +/- 0.44  83.034% * 22.5927% (0.69   0.42   2.01) =  83.794%  kept
          QD2   LEU   73 - HN    VAL   75   6.97 +/- 0.79   4.945% * 54.6254% (0.41   1.70   0.18) =  12.065%  kept
          QG1   VAL   43 - HN    VAL   75   6.64 +/- 0.56   4.693% * 17.8923% (0.97   0.24   0.02) =   3.751%  kept
          QG2   VAL   18 - HN    VAL   75   7.24 +/- 1.35   6.430% *  1.2524% (0.80   0.02   0.02) =   0.360%
          QG1   VAL   41 - HN    VAL   75  11.08 +/- 0.70   0.196% *  1.5605% (1.00   0.02   0.02) =   0.014%
          QD1   ILE   19 - HN    VAL   75   9.73 +/- 0.55   0.438% *  0.5335% (0.34   0.02   0.02) =   0.010%
          HG    LEU   31 - HN    VAL   75  11.64 +/- 0.60   0.143% *  0.8855% (0.57   0.02   0.02) =   0.006%
          QD1   ILE   56 - HN    VAL   75  12.51 +/- 0.67   0.092% *  0.3095% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   75  15.29 +/- 1.12   0.030% *  0.3482% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.03 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.4:
          QG1   VAL   75 - HN    VAL   75   3.63 +/- 0.14  99.938% * 99.6866% (0.92   5.27  84.44) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.71 +/- 0.92   0.062% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 5.12, residual support = 84.4:
          QG2   VAL   75 - HN    VAL   75   3.04 +/- 0.53  99.030% * 99.5288% (0.49   5.12  84.44) =  99.998%  kept
          QD1   ILE   89 - HN    VAL   75   7.14 +/- 0.55   0.835% *  0.1990% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   42 - HN    VAL   75   9.70 +/- 0.47   0.135% *  0.2722% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.7, support = 4.4, residual support = 186.0:
      O   HB3   LYS+  74 - HN    LYS+  74   2.51 +/- 0.21  77.057% * 95.3728% (0.71  10.0   4.39 187.75) =  98.784%  kept
          HB3   LEU   73 - HN    LYS+  74   3.20 +/- 0.36  22.418% *  4.0336% (0.11   1.0   5.47  41.43) =   1.215%  kept
          HG12  ILE   19 - HN    LYS+  74   6.82 +/- 0.78   0.273% *  0.0580% (0.43   1.0   0.02   8.15) =   0.000%
          HB2   LEU   80 - HN    LYS+  74   9.04 +/- 0.87   0.050% *  0.0922% (0.68   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   8.41 +/- 1.00   0.093% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  11.16 +/- 0.93   0.012% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.68 +/- 0.53   0.050% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   9.50 +/- 1.02   0.028% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.47 +/- 1.35   0.006% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  15.45 +/- 1.65   0.002% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.14 +/- 1.18   0.006% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  15.98 +/- 0.94   0.001% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.84 +/- 1.45   0.003% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.50 +/- 1.43   0.000% *  0.0956% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.8, residual support = 41.4:
          QD2   LEU   73 - HN    LYS+  74   3.99 +/- 0.17  99.381% * 97.2735% (0.20   5.80  41.43) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74   9.63 +/- 0.52   0.560% *  0.2114% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  14.82 +/- 0.63   0.041% *  0.6351% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+  74  18.18 +/- 1.27   0.013% *  0.6835% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  21.18 +/- 1.03   0.005% *  1.1965% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.26 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.69, residual support = 41.4:
          HB2   LEU   73 - HN    LYS+  74   3.29 +/- 0.54  99.918% * 97.9559% (0.64   5.69  41.43) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  14.15 +/- 0.73   0.023% *  0.2172% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.85 +/- 0.86   0.011% *  0.3802% (0.70   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.41 +/- 0.80   0.011% *  0.3827% (0.71   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  17.59 +/- 0.77   0.008% *  0.2932% (0.54   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  16.32 +/- 1.01   0.011% *  0.1720% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  16.49 +/- 1.35   0.009% *  0.1308% (0.24   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  18.01 +/- 1.63   0.006% *  0.0759% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  23.57 +/- 1.25   0.001% *  0.2482% (0.46   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  22.08 +/- 0.81   0.002% *  0.1440% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.554, support = 0.0199, residual support = 0.0199:
          HB    VAL   41 - HN    LYS+  74  10.23 +/- 1.26  33.506% * 15.4986% (0.71   0.02   0.02) =  51.448%  kept
          HB2   LEU   71 - HN    LYS+  74   9.52 +/- 0.43  46.101% *  5.8297% (0.27   0.02   0.02) =  26.626%  kept
          QB    LYS+  66 - HN    LYS+  74  14.06 +/- 0.68   4.620% * 14.9905% (0.68   0.02   0.02) =   6.862%  kept
          HG12  ILE  103 - HN    LYS+  74  14.78 +/- 2.20   3.965% * 14.6936% (0.67   0.02   0.02) =   5.772%  kept
          QB    LYS+  65 - HN    LYS+  74  13.04 +/- 0.56   7.401% *  6.3858% (0.29   0.02   0.02) =   4.682%  kept
          HG2   PRO   93 - HN    LYS+  74  16.47 +/- 1.36   2.013% * 11.8708% (0.54   0.02   0.02) =   2.367%  kept
          QB    LYS+ 102 - HN    LYS+  74  17.07 +/- 0.79   1.407% *  8.1723% (0.37   0.02   0.02) =   1.139%  kept
          HB3   PRO   52 - HN    LYS+  74  19.82 +/- 0.77   0.571% * 11.2793% (0.51   0.02   0.02) =   0.638%  kept
          HG    LEU  123 - HN    LYS+  74  21.15 +/- 1.14   0.416% * 11.2793% (0.51   0.02   0.02) =   0.465%
    Distance limit 4.47 A violated in 20 structures by 3.85 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.774, support = 4.84, residual support = 37.2:
          HB3   PHE   72 - HN    LEU   73   3.75 +/- 0.53  80.672% * 69.1825% (0.76   5.12  40.17) =  90.974%  kept
          HB2   ASP-  44 - HN    LEU   73   5.14 +/- 0.61  18.840% * 29.3844% (0.87   1.92   6.68) =   9.024%  kept
          QG    GLU-  15 - HN    LEU   73  10.65 +/- 1.55   0.310% *  0.3342% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  12.36 +/- 1.27   0.089% *  0.2951% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.31 +/- 0.69   0.048% *  0.1205% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  15.67 +/- 1.00   0.018% *  0.2427% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  19.45 +/- 1.52   0.005% *  0.3169% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  17.11 +/- 0.98   0.012% *  0.0619% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  18.84 +/- 1.15   0.006% *  0.0619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.22, residual support = 170.9:
      O   HB2   LEU   73 - HN    LEU   73   3.26 +/- 0.48  99.774% * 99.3783% (0.99  10.0   6.22 170.94) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  12.51 +/- 0.84   0.042% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  13.28 +/- 0.85   0.035% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.01 +/- 1.04   0.059% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  12.87 +/- 0.64   0.037% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  15.89 +/- 1.09   0.012% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  14.98 +/- 1.37   0.016% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  17.37 +/- 0.58   0.006% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.27 +/- 0.94   0.004% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.10 +/- 0.71   0.013% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  21.69 +/- 1.16   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.419, support = 6.04, residual support = 160.1:
      O   HB3   LEU   73 - HN    LEU   73   3.36 +/- 0.48  72.577% * 63.3927% (0.41  10.0   6.23 170.94) =  93.421%  kept
          HB    VAL   42 - HN    LEU   73   4.32 +/- 0.52  22.152% * 12.7266% (0.49   1.0   3.39   1.36) =   5.724%  kept
          HB3   LYS+  74 - HN    LEU   73   6.35 +/- 0.33   1.825% * 22.9399% (0.87   1.0   3.43  41.43) =   0.850%  kept
          HG12  ILE   19 - HN    LEU   73   6.84 +/- 1.58   2.509% *  0.0429% (0.28   1.0   0.02   4.00) =   0.002%
          QB    LEU   98 - HN    LEU   73   7.93 +/- 0.91   0.682% *  0.1539% (1.00   1.0   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HN    LEU   73  11.35 +/- 0.85   0.057% *  0.0873% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  11.79 +/- 0.85   0.046% *  0.1059% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.50 +/- 1.03   0.034% *  0.0751% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  11.32 +/- 1.24   0.062% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  15.48 +/- 1.40   0.010% *  0.1423% (0.92   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.54 +/- 1.56   0.007% *  0.1288% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.17 +/- 0.81   0.022% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  16.42 +/- 0.90   0.006% *  0.0579% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  15.32 +/- 0.86   0.010% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.76 +/- 0.91   0.002% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.971, support = 7.98, residual support = 168.5:
          QD2   LEU   73 - HN    LEU   73   2.59 +/- 0.43  88.062% * 87.4444% (0.98   8.06 170.94) =  98.489%  kept
          QG1   VAL   43 - HN    LEU   73   4.13 +/- 0.58   9.888% * 11.9332% (0.38   2.87   7.61) =   1.509%  kept
          QG1   VAL   41 - HN    LEU   73   6.35 +/- 0.78   0.739% *  0.1253% (0.57   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   73   6.08 +/- 0.91   1.220% *  0.0438% (0.20   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73   8.60 +/- 0.44   0.084% *  0.2208% (1.00   0.02   3.35) =   0.000%
          QD1   ILE   56 - HN    LEU   73  13.66 +/- 0.62   0.005% *  0.1772% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  17.10 +/- 0.98   0.001% *  0.0552% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.569, support = 5.84, residual support = 158.6:
          QD1   LEU   73 - HN    LEU   73   3.80 +/- 0.57  63.157% * 84.6942% (0.57   6.22 170.94) =  92.803%  kept
          QG2   VAL   41 - HN    LEU   73   4.72 +/- 1.03  29.648% * 13.9308% (0.61   0.96   0.02) =   7.166%  kept
          QD2   LEU   98 - HN    LEU   73   6.50 +/- 0.82   3.526% *  0.1976% (0.41   0.02   0.02) =   0.012%
          QD2   LEU   63 - HN    LEU   73   8.12 +/- 0.92   1.124% *  0.4807% (1.00   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    LEU   73   7.47 +/- 0.60   1.505% *  0.2722% (0.57   0.02   0.02) =   0.007%
          QD1   LEU   80 - HN    LEU   73   9.66 +/- 1.18   0.384% *  0.1976% (0.41   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   73   9.12 +/- 1.74   0.609% *  0.1070% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  13.36 +/- 1.55   0.046% *  0.1199% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.515, support = 1.28, residual support = 1.1:
          QG1   VAL   42 - HN    LEU   73   3.74 +/- 0.60  89.051% * 27.7113% (0.45   1.12   1.36) =  76.016%  kept
          QB    ALA   64 - HN    LEU   73   5.76 +/- 0.51  10.893% * 71.4728% (0.73   1.79   0.31) =  23.983%  kept
          QB    ALA   47 - HN    LEU   73  13.60 +/- 0.34   0.050% *  0.6231% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  19.87 +/- 1.41   0.005% *  0.1927% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.26, support = 1.8, residual support = 7.55:
          QG2   VAL   43 - HN    LEU   73   4.61 +/- 0.55  73.517% * 91.2882% (0.25   1.83   7.61) =  98.493%  kept
          QD2   LEU   31 - HN    LEU   73   5.70 +/- 0.46  24.185% *  4.0064% (1.00   0.02   3.35) =   1.422%  kept
          QG2   VAL   83 - HN    LEU   73   8.95 +/- 0.70   1.478% *  2.9092% (0.73   0.02   0.02) =   0.063%
          QD1   ILE   89 - HN    LEU   73   9.87 +/- 0.64   0.821% *  1.7962% (0.45   0.02   0.02) =   0.022%
    Distance limit 4.47 A violated in 0 structures by 0.10 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.533, support = 5.01, residual support = 89.1:
      O   HB2   PHE   72 - HN    PHE   72   2.93 +/- 0.60  94.215% * 79.5764% (0.53  10.0   5.04  89.84) =  98.488%  kept
          HA    ALA   64 - HN    PHE   72   5.55 +/- 0.64   5.651% * 20.3704% (0.97   1.0   2.79  38.96) =   1.512%  kept
          HB3   ASN   69 - HN    PHE   72   9.80 +/- 0.60   0.124% *  0.0233% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.44 +/- 0.79   0.010% *  0.0299% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.31, residual support = 89.8:
      O   HB3   PHE   72 - HN    PHE   72   2.80 +/- 0.66  98.387% * 99.3598% (0.76  10.0   5.31  89.84) =  99.998%  kept
          QG    GLU-  15 - HN    PHE   72   6.97 +/- 1.57   1.151% *  0.1230% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    PHE   72   8.39 +/- 0.57   0.216% *  0.1128% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   72   9.27 +/- 1.22   0.221% *  0.1086% (0.84   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  16.07 +/- 1.36   0.006% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  14.28 +/- 0.81   0.010% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.69 +/- 1.23   0.007% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  19.57 +/- 0.99   0.002% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  22.47 +/- 1.09   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.989, support = 3.93, residual support = 19.5:
          HG    LEU   71 - HN    PHE   72   4.58 +/- 0.80  41.623% * 93.9692% (0.99   3.97  19.70) =  98.832%  kept
          HG13  ILE   19 - HN    PHE   72   4.57 +/- 1.21  51.137% *  0.4512% (0.95   0.02   0.02) =   0.583%  kept
          QG2   THR   39 - HN    PHE   72   6.16 +/- 0.52   6.178% *  3.6739% (0.65   0.24   0.02) =   0.574%  kept
          HG2   LYS+  74 - HN    PHE   72   8.89 +/- 1.37   0.867% *  0.4760% (1.00   0.02   0.02) =   0.010%
          HG3   LYS+  99 - HN    PHE   72  13.04 +/- 1.22   0.076% *  0.4770% (1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    PHE   72  13.12 +/- 0.85   0.071% *  0.1062% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  14.99 +/- 0.97   0.029% *  0.1790% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  17.96 +/- 0.76   0.010% *  0.1961% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  19.54 +/- 0.77   0.006% *  0.3086% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  23.57 +/- 1.10   0.002% *  0.1627% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.03 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.958, support = 5.24, residual support = 19.9:
          QD2   LEU   71 - HN    PHE   72   3.09 +/- 0.35  87.803% * 91.0806% (0.97   5.28  19.70) =  98.946%  kept
          QD1   LEU   67 - HN    PHE   72   6.18 +/- 1.54  10.926% *  7.7839% (0.31   1.41  35.25) =   1.052%  kept
          QD2   LEU   40 - HN    PHE   72   7.32 +/- 1.24   1.021% *  0.0993% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    PHE   72   9.30 +/- 0.99   0.172% *  0.1880% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  11.36 +/- 0.78   0.044% *  0.3448% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.20 +/- 1.19   0.018% *  0.3565% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.41 +/- 0.61   0.015% *  0.1469% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.21, residual support = 32.0:
          HB    VAL   70 - HN    LEU   71   4.10 +/- 0.15  97.293% * 98.9242% (0.98   6.21  31.98) =  99.994%  kept
          QG    GLN   17 - HN    LEU   71   9.23 +/- 1.44   1.247% *  0.3241% (1.00   0.02   0.02) =   0.004%
          HG2   GLU- 100 - HN    LEU   71   9.53 +/- 1.06   0.826% *  0.0723% (0.22   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   71  10.24 +/- 0.46   0.429% *  0.0903% (0.28   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    LEU   71  11.90 +/- 0.79   0.181% *  0.2102% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  17.95 +/- 0.64   0.015% *  0.3220% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.36 +/- 0.70   0.009% *  0.0569% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.38, residual support = 139.4:
      O   HB2   LEU   71 - HN    LEU   71   2.42 +/- 0.29  99.333% * 99.5111% (0.98  10.0   6.38 139.45) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   6.24 +/- 0.82   0.568% *  0.0455% (0.45   1.0   0.02   2.75) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.04 +/- 0.94   0.049% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  10.56 +/- 1.36   0.023% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.46 +/- 0.54   0.012% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.29 +/- 1.04   0.008% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.67 +/- 1.39   0.007% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  21.38 +/- 1.03   0.000% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.988, support = 5.89, residual support = 138.3:
          HG    LEU   71 - HN    LEU   71   3.84 +/- 0.75  21.206% * 98.1355% (0.99   5.93 139.45) =  99.188%  kept
          QG2   THR   39 - HN    LEU   71   2.79 +/- 0.48  78.439% *  0.2159% (0.65   0.02   0.02) =   0.807%  kept
          HG13  ILE   19 - HN    LEU   71   8.14 +/- 1.07   0.202% *  0.3156% (0.95   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    LEU   71   9.22 +/- 1.30   0.108% *  0.3337% (1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    LEU   71  12.75 +/- 1.29   0.011% *  0.3329% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  10.95 +/- 0.97   0.027% *  0.1252% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  15.18 +/- 0.92   0.005% *  0.0743% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  19.41 +/- 0.96   0.001% *  0.1372% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  21.24 +/- 0.97   0.001% *  0.2159% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  24.83 +/- 1.21   0.000% *  0.1138% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.898, support = 5.92, residual support = 93.1:
          QD1   LEU   71 - HN    LEU   71   3.61 +/- 0.74  58.554% * 47.5043% (0.84   6.10 139.45) =  56.868%  kept
          QG1   VAL   70 - HN    LEU   71   3.94 +/- 0.44  40.649% * 51.8982% (0.98   5.68  31.98) =  43.130%  kept
          QG1   VAL   18 - HN    LEU   71   8.68 +/- 0.71   0.453% *  0.1863% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   71   9.58 +/- 0.96   0.235% *  0.1280% (0.69   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  11.97 +/- 1.45   0.066% *  0.1556% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  12.84 +/- 0.92   0.038% *  0.0907% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  18.27 +/- 0.62   0.004% *  0.0369% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.42, residual support = 32.0:
          QG2   VAL   70 - HN    LEU   71   2.49 +/- 0.32 100.000% *100.0000% (0.73   6.42  31.98) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.2:
      O   HB    VAL   70 - HN    VAL   70   2.71 +/- 0.38  99.723% * 99.6297% (0.76  10.0   4.31  81.17) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   8.04 +/- 1.20   0.255% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  12.63 +/- 0.85   0.014% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  14.69 +/- 0.90   0.006% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  21.47 +/- 0.80   0.001% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.80 +/- 1.20   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.721, support = 0.459, residual support = 1.29:
          HB3   LEU   67 - HN    VAL   70   3.84 +/- 0.88  71.062% * 14.0958% (0.87   0.24   0.45) =  57.611%  kept
          HG    LEU   67 - HN    VAL   70   5.12 +/- 1.11  24.503% * 26.3968% (0.49   0.79   0.45) =  37.200%  kept
          HG    LEU   40 - HN    VAL   70   7.53 +/- 0.75   1.468% * 31.1680% (0.61   0.75  32.71) =   2.631%  kept
          QG    LYS+  66 - HN    VAL   70   8.78 +/- 1.03   1.997% * 21.9073% (0.98   0.33   0.02) =   2.516%  kept
          HG12  ILE   19 - HN    VAL   70   9.42 +/- 1.65   0.651% *  0.5634% (0.41   0.02   0.02) =   0.021%
          HG    LEU   73 - HN    VAL   70  10.78 +/- 0.72   0.149% *  1.3582% (0.99   0.02   0.02) =   0.012%
          QB    ALA   61 - HN    VAL   70  10.82 +/- 0.54   0.145% *  0.9951% (0.73   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HN    VAL   70  17.09 +/- 1.15   0.010% *  1.2963% (0.95   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   70  17.30 +/- 1.25   0.009% *  0.8311% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  19.64 +/- 1.15   0.004% *  0.6670% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  20.74 +/- 1.06   0.003% *  0.7210% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.02 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 4.81, residual support = 80.5:
          QG1   VAL   70 - HN    VAL   70   2.57 +/- 0.51  98.137% * 53.1585% (0.92   4.82  81.17) =  98.601%  kept
          QD1   LEU   71 - HN    VAL   70   6.27 +/- 0.99   1.604% * 46.1221% (1.00   3.86  31.98) =   1.398%  kept
          QG1   VAL   18 - HN    VAL   70   9.14 +/- 0.85   0.085% *  0.1995% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70   9.84 +/- 1.52   0.063% *  0.2389% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.65 +/- 0.85   0.102% *  0.0815% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  14.00 +/- 1.13   0.008% *  0.1995% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 81.2:
          QG2   VAL   70 - HN    VAL   70   3.72 +/- 0.22 100.000% *100.0000% (0.98   3.89  81.17) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 59.6:
      O   HB2   ASN   69 - HD22  ASN   69   3.76 +/- 0.26  95.382% * 99.7633% (0.55  10.0   2.99  59.57) =  99.999%  kept
          QE    LYS+  66 - HD22  ASN   69  10.80 +/- 2.54   4.279% *  0.0227% (0.12   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  13.30 +/- 2.62   0.334% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  24.79 +/- 1.36   0.001% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.90 +/- 1.28   0.003% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  29.28 +/- 1.22   0.000% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.27, residual support = 26.0:
          QG1   VAL   70 - HD22  ASN   69   3.65 +/- 1.41  88.774% * 92.0106% (0.56   3.29  26.18) =  99.195%  kept
          QD1   LEU   71 - HD22  ASN   69   8.31 +/- 1.77  10.538% *  6.2613% (0.53   0.24   0.02) =   0.801%  kept
          QD1   LEU  123 - HD22  ASN   69   9.95 +/- 2.39   0.437% *  0.5300% (0.53   0.02   0.02) =   0.003%
          QG1   VAL   18 - HD22  ASN   69  12.73 +/- 1.18   0.069% *  0.5407% (0.54   0.02   0.02) =   0.000%
          HB3   LEU   63 - HD22  ASN   69  11.32 +/- 2.05   0.126% *  0.2948% (0.30   0.02   0.02) =   0.000%
          HB3   LEU  104 - HD22  ASN   69  13.42 +/- 1.54   0.056% *  0.3625% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.96, residual support = 2.96:
          HA    LEU   67 - HN    ASN   69   3.78 +/- 0.77 100.000% *100.0000% (0.92   2.96   2.96) = 100.000%  kept
    Distance limit 4.61 A violated in 0 structures by 0.08 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.3:
          HD2   PRO   68 - HN    ASN   69   2.95 +/- 0.55  99.949% * 99.1839% (0.80   5.97  31.29) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.30 +/- 1.01   0.046% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  19.21 +/- 0.87   0.002% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.74 +/- 0.72   0.003% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 31.3:
          HD3   PRO   68 - HN    ASN   69   3.70 +/- 0.52  99.978% * 98.4652% (0.99   5.97  31.29) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.65 +/- 0.98   0.015% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.76 +/- 0.71   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  23.32 +/- 1.27   0.002% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  25.06 +/- 1.33   0.001% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  26.38 +/- 1.75   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.562, support = 0.02, residual support = 0.02:
          HA    ALA   64 - HN    ASN   69   7.11 +/- 0.97  77.486% * 14.1837% (0.31   0.02   0.02) =  54.974%  kept
          QE    LYS+  66 - HN    ASN   69   9.31 +/- 1.45  22.069% * 39.8620% (0.87   0.02   0.02) =  44.004%  kept
          HB3   ASN   35 - HN    ASN   69  17.35 +/- 0.74   0.445% * 45.9543% (1.00   0.02   0.02) =   1.022%  kept
    Distance limit 3.84 A violated in 20 structures by 2.90 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 26.2:
          HB    VAL   70 - HN    ASN   69   4.36 +/- 0.42  97.866% * 89.1827% (0.15   3.84  26.18) =  99.981%  kept
          QG    GLN   17 - HN    ASN   69   9.05 +/- 1.14   1.867% *  0.5953% (0.20   0.02   0.02) =   0.013%
          HB2   LYS+  38 - HN    ASN   69  13.21 +/- 1.02   0.164% *  2.9816% (0.99   0.02   0.02) =   0.006%
          QB    GLU-  36 - HN    ASN   69  14.64 +/- 0.74   0.077% *  0.5268% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  21.99 +/- 0.91   0.007% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  19.95 +/- 0.75   0.012% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  23.79 +/- 0.72   0.004% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  29.84 +/- 1.18   0.001% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.19 +/- 0.93   0.003% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.09 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.935, support = 6.03, residual support = 31.3:
      O   HB3   PRO   68 - HN    ASN   69   3.95 +/- 0.87  34.286% * 95.4467% (0.99  10.0   6.04  31.29) =  93.414%  kept
          HG2   PRO   68 - HN    ASN   69   3.59 +/- 1.24  58.539% *  3.9329% (0.14   1.0   6.04  31.29) =   6.572%  kept
          QB    GLU-  15 - HN    ASN   69   6.34 +/- 0.98   6.598% *  0.0699% (0.73   1.0   0.02   0.02) =   0.013%
          HB2   GLN   17 - HN    ASN   69  10.99 +/- 1.49   0.316% *  0.0699% (0.73   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    ASN   69  12.11 +/- 0.99   0.135% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  14.39 +/- 1.27   0.036% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.34 +/- 1.15   0.030% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  14.56 +/- 1.09   0.031% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.74 +/- 0.76   0.018% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.85 +/- 1.71   0.002% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  19.44 +/- 1.20   0.005% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.74 +/- 0.97   0.002% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.54 +/- 0.85   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.83 +/- 0.96   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.49, residual support = 31.3:
          HG3   PRO   68 - HN    ASN   69   3.85 +/- 0.34  99.707% * 92.7613% (0.38   5.49  31.29) =  99.998%  kept
          HB3   LYS+  38 - HN    ASN   69  12.67 +/- 1.04   0.097% *  0.8512% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  12.83 +/- 0.90   0.095% *  0.5458% (0.61   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASN   69  15.69 +/- 0.93   0.028% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  15.33 +/- 1.32   0.029% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  17.02 +/- 0.72   0.016% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  18.17 +/- 1.05   0.011% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  21.03 +/- 0.81   0.005% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.84 +/- 0.62   0.008% *  0.3699% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.66 +/- 0.86   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  25.39 +/- 1.11   0.002% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  26.94 +/- 1.33   0.001% *  0.5821% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  29.55 +/- 1.21   0.001% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.46, residual support = 26.2:
          QG1   VAL   70 - HN    ASN   69   3.18 +/- 0.61  97.320% * 97.9094% (0.73   4.46  26.18) =  99.991%  kept
          QD1   LEU   71 - HN    ASN   69   7.86 +/- 1.10   1.927% *  0.2942% (0.49   0.02   0.02) =   0.006%
          HB3   LEU   63 - HN    ASN   69   9.75 +/- 1.06   0.221% *  0.5834% (0.97   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ASN   69   9.37 +/- 1.44   0.375% *  0.2942% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  10.73 +/- 0.94   0.132% *  0.5049% (0.84   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    ASN   69  14.63 +/- 1.48   0.023% *  0.1196% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  20.67 +/- 0.76   0.002% *  0.2942% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 3.93, residual support = 17.8:
          HD2   PRO   68 - HN    LEU   67   4.33 +/- 0.72  44.239% * 96.2284% (1.00   3.98  17.56) =  96.504%  kept
          HA    VAL   24 - HE3   TRP   27   4.20 +/- 1.46  53.808% *  2.8495% (0.04   2.74  24.86) =   3.476%  kept
          HA    ALA   61 - HN    LEU   67   7.40 +/- 0.41   1.856% *  0.4683% (0.97   0.02   0.02) =   0.020%
          HD3   PRO   58 - HN    LEU   67  13.70 +/- 0.43   0.043% *  0.1498% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  14.27 +/- 1.18   0.038% *  0.0589% (0.12   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  20.45 +/- 1.04   0.003% *  0.1655% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.81 +/- 1.22   0.008% *  0.0609% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.20 +/- 1.01   0.005% *  0.0188% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.02, residual support = 17.6:
          HD3   PRO   68 - HN    LEU   67   3.84 +/- 0.64  99.620% * 97.2113% (0.76   4.02  17.56) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.38 +/- 0.84   0.260% *  0.2605% (0.41   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    LEU   67  16.96 +/- 0.47   0.020% *  0.4352% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.42 +/- 1.07   0.012% *  0.5993% (0.95   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  20.94 +/- 1.66   0.006% *  0.6210% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  20.38 +/- 0.94   0.007% *  0.5073% (0.80   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  16.40 +/- 0.97   0.024% *  0.0753% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  17.80 +/- 0.96   0.016% *  0.0638% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  19.24 +/- 1.01   0.009% *  0.0609% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.37 +/- 0.78   0.009% *  0.0547% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.94 +/- 1.44   0.015% *  0.0327% (0.05   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  22.94 +/- 1.54   0.003% *  0.0781% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.639, support = 1.38, residual support = 4.61:
          HA    ALA   64 - HN    LEU   67   3.18 +/- 0.26  97.751% * 23.4106% (0.65   1.14   4.21) =  93.169%  kept
          QE    LYS+  66 - HN    LEU   67   6.13 +/- 0.49   2.211% * 75.9001% (0.53   4.55  10.12) =   6.831%  kept
          HB3   ASN   35 - HE3   TRP   27  13.95 +/- 1.49   0.019% *  0.0665% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  13.97 +/- 0.81   0.016% *  0.0515% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.39 +/- 0.71   0.002% *  0.5293% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  19.85 +/- 0.83   0.002% *  0.0419% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.607, support = 4.79, residual support = 57.6:
      O   HB2   LEU   67 - HN    LEU   67   2.74 +/- 0.45  97.674% * 99.1951% (0.61  10.0   4.79  57.59) =  99.998%  kept
          HG2   PRO   68 - HN    LEU   67   5.96 +/- 0.75   1.582% *  0.1058% (0.65   1.0   0.02  17.56) =   0.002%
          HB    VAL   18 - HN    LEU   67   8.94 +/- 0.80   0.139% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   8.55 +/- 1.64   0.407% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.47 +/- 0.86   0.026% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.38 +/- 0.66   0.007% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.84 +/- 1.06   0.006% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.19 +/- 0.84   0.116% *  0.0041% (0.02   1.0   0.02   0.16) =   0.000%
          QB    GLU- 114 - HN    LEU   67  15.94 +/- 1.23   0.004% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  11.72 +/- 0.92   0.030% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  15.51 +/- 0.89   0.004% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.55 +/- 0.73   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.88 +/- 0.81   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.01 +/- 1.16   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  20.29 +/- 1.12   0.001% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  21.44 +/- 1.18   0.001% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  24.22 +/- 0.74   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.75 +/- 1.08   0.001% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.941, support = 4.37, residual support = 9.87:
          QB    LYS+  66 - HN    LEU   67   3.11 +/- 0.27  89.570% * 78.6577% (0.95   4.45  10.12) =  97.492%  kept
          QB    LYS+  65 - HN    LEU   67   4.72 +/- 0.25   9.457% * 19.1541% (0.76   1.34   0.02) =   2.507%  kept
          HB3   GLN   17 - HN    LEU   67   8.69 +/- 0.86   0.292% *  0.0833% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU   67  10.45 +/- 0.45   0.069% *  0.2716% (0.73   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67   9.89 +/- 1.12   0.117% *  0.1404% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   8.84 +/- 1.28   0.293% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  13.02 +/- 0.62   0.018% *  0.2995% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27  10.52 +/- 1.27   0.109% *  0.0341% (0.09   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  16.72 +/- 1.13   0.004% *  0.3245% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  16.74 +/- 1.40   0.004% *  0.2420% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.25 +/- 1.92   0.033% *  0.0304% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  18.58 +/- 1.29   0.002% *  0.3707% (0.99   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  14.81 +/- 0.80   0.009% *  0.0408% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  16.89 +/- 0.77   0.004% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  17.59 +/- 1.37   0.003% *  0.0466% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  16.84 +/- 0.82   0.004% *  0.0359% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  22.43 +/- 0.66   0.001% *  0.1404% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  15.50 +/- 1.43   0.008% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  21.09 +/- 0.85   0.001% *  0.0176% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.47 +/- 1.49   0.001% *  0.0176% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.56, support = 4.66, residual support = 56.2:
      O   HB3   LEU   67 - HN    LEU   67   3.22 +/- 0.64  51.188% * 39.2245% (0.25  10.0   3.97  57.59) =  56.072%  kept
          HG    LEU   67 - HN    LEU   67   3.61 +/- 0.70  33.498% * 43.7142% (1.00   1.0   5.57  57.59) =  40.894%  kept
          QG    LYS+  66 - HN    LEU   67   4.42 +/- 0.35   6.745% * 16.0915% (0.41   1.0   4.98  10.12) =   3.031%  kept
          HG    LEU   73 - HE3   TRP   27   5.12 +/- 1.27   8.004% *  0.0120% (0.08   1.0   0.02  18.09) =   0.003%
          HG    LEU   40 - HN    LEU   67   9.88 +/- 0.89   0.064% *  0.1559% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.55 +/- 0.37   0.297% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   9.67 +/- 0.96   0.089% *  0.0705% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  10.70 +/- 0.90   0.038% *  0.1081% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.48 +/- 1.25   0.011% *  0.1559% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.20 +/- 1.64   0.014% *  0.1081% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.67 +/- 0.99   0.015% *  0.0954% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  13.56 +/- 1.23   0.008% *  0.0196% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  19.58 +/- 1.72   0.001% *  0.1142% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  16.12 +/- 1.70   0.003% *  0.0197% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  14.54 +/- 1.01   0.006% *  0.0089% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  16.88 +/- 1.28   0.003% *  0.0144% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  13.32 +/- 1.09   0.010% *  0.0031% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.47 +/- 0.79   0.001% *  0.0196% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  15.83 +/- 0.95   0.003% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  18.22 +/- 0.90   0.001% *  0.0081% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.09 +/- 0.56   0.001% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.17 +/- 1.33   0.001% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 3.98, residual support = 57.5:
          QD1   LEU   67 - HN    LEU   67   3.60 +/- 0.68  90.778% * 92.8984% (0.31   3.99  57.59) =  99.887%  kept
          QG2   ILE  119 - HN    LEU   67   6.55 +/- 1.01   5.155% *  1.4573% (0.97   0.02   0.02) =   0.089%
          QD2   LEU   71 - HN    LEU   67   8.45 +/- 0.58   0.832% *  1.4573% (0.97   0.02   0.02) =   0.014%
          QD2   LEU   40 - HN    LEU   67   8.36 +/- 1.13   0.892% *  0.4199% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   71 - HE3   TRP   27   9.66 +/- 1.49   1.089% *  0.1832% (0.12   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HE3   TRP   27   9.05 +/- 0.69   0.527% *  0.0999% (0.07   0.02   0.02) =   0.001%
          QD1   ILE  103 - HE3   TRP   27  10.40 +/- 1.66   0.264% *  0.1894% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   67  13.52 +/- 1.15   0.047% *  0.7945% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  15.62 +/- 0.92   0.017% *  1.5067% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.40 +/- 0.78   0.030% *  0.6208% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  10.95 +/- 0.99   0.196% *  0.0528% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.28 +/- 0.88   0.080% *  0.0780% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.81 +/- 1.08   0.076% *  0.0586% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  16.32 +/- 1.09   0.017% *  0.1832% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.02, residual support = 25.1:
      O   HA    LYS+  65 - HN    LYS+  66   3.52 +/- 0.05  98.484% * 98.9277% (0.61  10.0   6.02  25.06) =  99.998%  kept
          HA2   GLY   16 - HN    LYS+  66   7.78 +/- 1.06   1.209% *  0.1120% (0.69   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  66  10.03 +/- 0.98   0.226% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.14 +/- 1.09   0.041% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  13.84 +/- 0.84   0.029% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.85 +/- 0.90   0.006% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  21.63 +/- 0.70   0.002% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.99 +/- 0.74   0.002% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  24.91 +/- 0.62   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.61, residual support = 6.08:
          HA    LEU   63 - HN    LYS+  66   3.42 +/- 0.25  99.996% * 98.5969% (0.99   1.61   6.08) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.03 +/- 0.84   0.002% *  0.8490% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  20.61 +/- 0.86   0.002% *  0.5541% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.894, support = 4.05, residual support = 14.6:
          HA    ALA   64 - HN    LYS+  66   3.95 +/- 0.30  79.408% * 76.0588% (0.95   3.96   7.03) =  92.864%  kept
          QE    LYS+  66 - HN    LYS+  66   5.14 +/- 0.50  19.617% * 23.6529% (0.22   5.23 112.81) =   7.134%  kept
          HB2   PHE   72 - HN    LYS+  66   8.29 +/- 0.58   0.972% *  0.0905% (0.22   0.02   0.19) =   0.001%
          HB3   ASN   35 - HN    LYS+  66  22.29 +/- 0.78   0.003% *  0.1978% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.669, support = 5.06, residual support = 107.1:
      O   QB    LYS+  66 - HN    LYS+  66   2.21 +/- 0.13  86.548% * 68.5937% (0.65  10.0   5.00 112.81) =  93.458%  kept
          QB    LYS+  65 - HN    LYS+  66   3.06 +/- 0.17  13.421% * 30.9654% (0.99   1.0   5.89  25.06) =   6.542%  kept
          HB3   GLN   17 - HN    LYS+  66   9.08 +/- 1.16   0.025% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.23 +/- 0.60   0.003% *  0.1039% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  14.53 +/- 0.75   0.001% *  0.0475% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  17.45 +/- 1.43   0.000% *  0.0951% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  17.98 +/- 1.06   0.000% *  0.1058% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  17.75 +/- 1.47   0.000% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.381, support = 3.96, residual support = 80.2:
          QG    LYS+  66 - HN    LYS+  66   3.17 +/- 0.52  87.715% * 21.8959% (0.15   4.53 112.81) =  68.240%  kept
          HG    LEU   67 - HN    LYS+  66   5.28 +/- 1.04  11.932% * 74.8990% (0.87   2.75  10.12) =  31.753%  kept
          QB    ALA  120 - HN    LYS+  66  10.11 +/- 0.83   0.122% *  0.6053% (0.97   0.02   0.02) =   0.003%
          HG    LEU  115 - HN    LYS+  66  11.77 +/- 1.50   0.055% *  0.6053% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  11.55 +/- 0.94   0.055% *  0.5022% (0.80   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.53 +/- 0.93   0.046% *  0.4793% (0.76   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.29 +/- 1.30   0.039% *  0.4793% (0.76   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    LYS+  66  13.77 +/- 1.00   0.018% *  0.1744% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.95 +/- 0.85   0.015% *  0.1241% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  21.07 +/- 1.60   0.002% *  0.2354% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.07, residual support = 7.03:
          QB    ALA   64 - HN    LYS+  66   4.32 +/- 0.18 100.000% *100.0000% (0.95   3.07   7.03) = 100.000%  kept
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.09, residual support = 163.5:
      O   HA    LYS+  65 - HN    LYS+  65   2.82 +/- 0.04  99.532% * 99.3218% (0.64  10.0   6.09 163.49) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65   7.54 +/- 1.12   0.433% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  11.88 +/- 0.92   0.020% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  14.96 +/- 0.95   0.005% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  16.89 +/- 0.89   0.002% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.78 +/- 0.70   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  19.89 +/- 0.76   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  20.35 +/- 0.70   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.44 +/- 0.67   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  23.86 +/- 0.52   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  21.99 +/- 0.89   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  25.05 +/- 0.72   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 4.73, residual support = 28.0:
      O   HA    ALA   64 - HN    LYS+  65   3.59 +/- 0.04  95.551% * 99.9016% (0.65  10.0   4.73  28.01) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   6.95 +/- 0.72   2.556% *  0.0235% (0.15   1.0   0.02  25.06) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   7.12 +/- 0.67   1.892% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  22.30 +/- 1.04   0.002% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.529, support = 6.59, residual support = 162.7:
      O   QB    LYS+  65 - HN    LYS+  65   2.24 +/- 0.14  97.872% * 76.4556% (0.53  10.0   6.60 163.49) =  99.396%  kept
          QB    LYS+  66 - HN    LYS+  65   4.38 +/- 0.20   1.973% * 23.0436% (0.65   1.0   4.87  25.06) =   0.604%  kept
          HB3   GLN   17 - HN    LYS+  65   7.54 +/- 1.49   0.140% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.03 +/- 0.70   0.005% *  0.0726% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  11.23 +/- 1.09   0.007% *  0.0375% (0.26   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  14.48 +/- 0.72   0.002% *  0.0801% (0.55   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.49 +/- 1.39   0.001% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  18.02 +/- 1.59   0.000% *  0.0647% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  18.72 +/- 0.79   0.000% *  0.0868% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.88 +/- 0.62   0.000% *  0.0375% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.138, support = 5.39, residual support = 162.5:
          HG2   LYS+  65 - HN    LYS+  65   2.80 +/- 0.55  98.673% * 61.0100% (0.14   5.42 163.49) =  99.376%  kept
          HG    LEU   67 - HN    LYS+  65   6.70 +/- 0.97   1.115% * 33.7511% (0.36   1.13   0.02) =   0.621%  kept
          QB    ALA  120 - HN    LYS+  65  11.51 +/- 0.79   0.050% *  1.0768% (0.65   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  65  11.92 +/- 1.21   0.042% *  1.0768% (0.65   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  65  12.54 +/- 0.99   0.021% *  1.1358% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  65  12.01 +/- 0.72   0.033% *  0.5541% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.24 +/- 1.15   0.031% *  0.4680% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.38 +/- 0.93   0.018% *  0.4680% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  14.59 +/- 0.95   0.007% *  0.2838% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.57 +/- 1.70   0.010% *  0.1756% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.215, support = 4.89, residual support = 142.3:
          HG3   LYS+  65 - HN    LYS+  65   3.51 +/- 0.39  87.821% * 43.6655% (0.17   5.31 163.49) =  86.945%  kept
          HB2   LEU   63 - HN    LYS+  65   5.10 +/- 0.28  11.331% * 50.7920% (0.50   2.12   1.47) =  13.049%  kept
          HB3   ASP-  44 - HN    LYS+  65   9.81 +/- 0.67   0.206% *  0.5511% (0.58   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LYS+  65   8.60 +/- 0.46   0.456% *  0.1645% (0.17   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+  65  12.22 +/- 1.11   0.075% *  0.6241% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  14.80 +/- 1.38   0.019% *  0.6539% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.11 +/- 0.75   0.036% *  0.2036% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  16.16 +/- 0.89   0.011% *  0.6539% (0.68   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  18.76 +/- 0.59   0.004% *  0.6583% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.25 +/- 0.86   0.007% *  0.3471% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  16.89 +/- 1.22   0.009% *  0.2712% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  16.59 +/- 1.06   0.009% *  0.1155% (0.12   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  20.70 +/- 0.94   0.002% *  0.4002% (0.42   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  19.84 +/- 0.86   0.003% *  0.2958% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.20 +/- 1.52   0.003% *  0.2476% (0.26   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  18.21 +/- 1.18   0.005% *  0.1306% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  22.33 +/- 0.92   0.002% *  0.2250% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.73, residual support = 28.0:
          QB    ALA   64 - HN    LYS+  65   2.71 +/- 0.17 100.000% *100.0000% (0.65   4.73  28.01) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.75, residual support = 7.4:
          HA    ALA   61 - HN    ALA   64   3.37 +/- 0.16  99.406% * 95.1123% (0.95   0.75   7.40) =  99.987%  kept
          HD2   PRO   68 - HN    ALA   64   8.60 +/- 0.74   0.420% *  2.1470% (0.80   0.02   0.02) =   0.010%
          HD3   PRO   58 - HN    ALA   64   9.99 +/- 0.30   0.152% *  1.7345% (0.65   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    ALA   64  13.95 +/- 0.59   0.022% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.82 +/- 0.04  97.598% * 99.9016% (0.95  10.0   4.22  20.76) =  99.999%  kept
          HB2   PHE   72 - HN    ALA   64   5.67 +/- 0.86   2.142% *  0.0235% (0.22   1.0   0.02  38.96) =   0.001%
          QE    LYS+  66 - HN    ALA   64   7.85 +/- 0.71   0.259% *  0.0235% (0.22   1.0   0.02   7.03) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.01 +/- 1.10   0.001% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.861, support = 4.64, residual support = 25.8:
          QB    LYS+  65 - HN    ALA   64   4.44 +/- 0.22  61.147% * 82.3622% (0.92   4.88  28.01) =  89.416%  kept
          QB    LYS+  66 - HN    ALA   64   4.89 +/- 0.37  36.647% * 16.2497% (0.34   2.60   7.03) =  10.573%  kept
          HB3   GLN   17 - HN    ALA   64   8.59 +/- 1.28   1.677% *  0.3056% (0.84   0.02   2.44) =   0.009%
          HB2   LEU   71 - HN    ALA   64  11.04 +/- 0.73   0.281% *  0.3461% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  14.64 +/- 1.33   0.053% *  0.2219% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  12.67 +/- 0.73   0.119% *  0.0724% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.05 +/- 0.74   0.019% *  0.3056% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  14.72 +/- 1.25   0.053% *  0.0724% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.98 +/- 1.03   0.004% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.723, support = 7.3, residual support = 54.5:
          HB2   LEU   63 - HN    ALA   64   2.96 +/- 0.35  95.722% * 81.5836% (0.73   7.32  54.69) =  99.437%  kept
          HG3   LYS+  65 - HN    ALA   64   5.72 +/- 0.56   2.780% * 15.8379% (0.25   4.14  28.01) =   0.561%  kept
          HB3   ASP-  44 - HN    ALA   64   7.59 +/- 0.69   0.448% *  0.2564% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   6.61 +/- 0.62   0.928% *  0.0765% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   64  12.81 +/- 1.35   0.022% *  0.3042% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  12.65 +/- 0.98   0.022% *  0.2904% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.34 +/- 0.85   0.034% *  0.0947% (0.31   0.02   0.31) =   0.000%
          HG    LEU   98 - HN    ALA   64  13.93 +/- 0.96   0.010% *  0.3042% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  14.93 +/- 0.88   0.008% *  0.1615% (0.53   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  16.88 +/- 0.60   0.003% *  0.3063% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.91 +/- 0.98   0.005% *  0.1262% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  15.26 +/- 1.06   0.007% *  0.0538% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  18.65 +/- 1.05   0.002% *  0.1862% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.13 +/- 0.95   0.002% *  0.1376% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.46 +/- 1.50   0.002% *  0.1152% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  17.34 +/- 1.15   0.003% *  0.0607% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  20.46 +/- 0.83   0.001% *  0.1047% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.78, residual support = 54.7:
          HG    LEU   63 - HN    ALA   64   4.49 +/- 0.86  84.384% * 98.5896% (0.53   6.78  54.69) =  99.978%  kept
          QD1   ILE  119 - HN    ALA   64   6.27 +/- 0.73  15.173% *  0.1094% (0.20   0.02   0.02) =   0.020%
          QG2   VAL  108 - HN    ALA   64  13.61 +/- 0.80   0.155% *  0.3353% (0.61   0.02   0.02) =   0.001%
          HB2   LEU  104 - HN    ALA   64  13.40 +/- 1.00   0.179% *  0.2479% (0.45   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    ALA   64  15.72 +/- 1.29   0.064% *  0.5104% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  16.94 +/- 0.90   0.045% *  0.2075% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.27 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.73, residual support = 54.7:
          HB3   LEU   63 - HN    ALA   64   3.42 +/- 0.47  82.852% * 99.3320% (0.97   6.73  54.69) =  99.969%  kept
          QG1   VAL   18 - HN    ALA   64   5.37 +/- 1.17  13.787% *  0.1610% (0.53   0.02   8.70) =   0.027%
          QG1   VAL   70 - HN    ALA   64   6.94 +/- 0.72   2.321% *  0.1258% (0.41   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    ALA   64   8.17 +/- 1.13   0.908% *  0.0681% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64  10.60 +/- 1.00   0.117% *  0.0681% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.00 +/- 0.91   0.016% *  0.2450% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.837, support = 6.14, residual support = 54.7:
          QD2   LEU   63 - HN    ALA   64   4.34 +/- 0.64  50.965% * 60.3465% (1.00   5.83  54.69) =  62.523%  kept
          QD1   LEU   63 - HN    ALA   64   4.43 +/- 0.34  47.093% * 39.1425% (0.57   6.67  54.69) =  37.473%  kept
          QD2   LEU  115 - HN    ALA   64   8.92 +/- 1.08   0.952% *  0.0517% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ALA   64  10.33 +/- 0.83   0.358% *  0.1256% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.53 +/- 0.87   0.344% *  0.1173% (0.57   0.02   0.31) =   0.001%
          QD2   LEU   98 - HN    ALA   64  11.42 +/- 1.11   0.215% *  0.0852% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  15.14 +/- 1.12   0.034% *  0.0852% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  15.03 +/- 1.71   0.040% *  0.0461% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.05 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.76) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.25, residual support = 42.5:
      O   HA    ASP-  62 - HN    LEU   63   3.61 +/- 0.03  99.920% * 99.8321% (0.97  10.0   5.25  42.51) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.22 +/- 0.87   0.075% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  19.39 +/- 1.08   0.004% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  24.56 +/- 0.66   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 12.0:
          HA    PHE   60 - HN    LEU   63   3.63 +/- 0.25  99.512% * 92.4872% (0.69   1.50  11.98) =  99.995%  kept
          QB    SER  117 - HN    LEU   63  11.75 +/- 0.78   0.100% *  1.7794% (0.99   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LEU   63   9.90 +/- 0.84   0.277% *  0.6124% (0.34   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    LEU   63  12.80 +/- 1.02   0.061% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  13.96 +/- 0.73   0.037% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.91 +/- 0.70   0.008% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  18.33 +/- 0.67   0.007% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.4:
      O   HA    LEU   63 - HN    LEU   63   2.78 +/- 0.04  99.999% * 99.8508% (0.76  10.0   7.54 242.41) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  20.55 +/- 0.77   0.001% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  21.08 +/- 1.24   0.001% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.25, residual support = 42.5:
          HB2   ASP-  62 - HN    LEU   63   3.42 +/- 0.55  99.950% * 99.7494% (0.98   5.25  42.51) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  15.67 +/- 1.14   0.019% *  0.1739% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  13.74 +/- 0.48   0.031% *  0.0767% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HB3   ASP-  62 - HN    LEU   63   2.86 +/- 0.37  99.989% * 98.9530% (0.95   5.25  42.51) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.19 +/- 0.48   0.009% *  0.3680% (0.92   0.02   0.93) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  21.56 +/- 0.69   0.001% *  0.2257% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  24.62 +/- 1.83   0.000% *  0.2895% (0.73   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  23.91 +/- 1.29   0.000% *  0.1639% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.96, residual support = 242.4:
      O   HB2   LEU   63 - HN    LEU   63   2.14 +/- 0.13  99.747% * 98.8228% (0.73  10.0   7.96 242.41) = 100.000%  kept
          HB3   ASP-  44 - HN    LEU   63   7.81 +/- 0.69   0.051% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   63   6.62 +/- 0.73   0.148% *  0.0339% (0.25   1.0   0.02   1.47) =   0.000%
          HB    VAL   42 - HN    LEU   63   8.21 +/- 0.62   0.036% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.39 +/- 1.43   0.006% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.33 +/- 0.86   0.003% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  14.76 +/- 0.86   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.35 +/- 1.11   0.002% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.39 +/- 0.93   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.19 +/- 0.85   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  17.06 +/- 0.57   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.29 +/- 1.53   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  19.60 +/- 1.12   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  16.34 +/- 0.86   0.001% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.00 +/- 0.84   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.16 +/- 1.07   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  19.73 +/- 0.93   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.4:
          HG    LEU   63 - HN    LEU   63   3.16 +/- 0.40  99.445% * 99.5026% (1.00   7.54 242.41) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.24 +/- 0.95   0.526% *  0.0463% (0.18   0.02   0.43) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  13.15 +/- 1.36   0.026% *  0.1920% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  18.13 +/- 0.89   0.003% *  0.2591% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.11 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.59, residual support = 242.4:
      O   HB3   LEU   63 - HN    LEU   63   3.40 +/- 0.10  94.129% * 99.7743% (0.97  10.0   7.59 242.41) =  99.997%  kept
          QG1   VAL   18 - HN    LEU   63   6.90 +/- 1.17   3.775% *  0.0544% (0.53   1.0   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    LEU   63   7.16 +/- 1.17   1.463% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL   70 - HN    LEU   63   8.28 +/- 0.80   0.569% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  13.91 +/- 1.04   0.022% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  12.64 +/- 0.91   0.042% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.87, support = 6.93, residual support = 242.4:
          QD1   LEU   63 - HN    LEU   63   3.53 +/- 0.30  57.533% * 47.7406% (0.90   6.47 242.41) =  56.746%  kept
          QD2   LEU   63 - HN    LEU   63   3.72 +/- 0.84  40.426% * 51.7850% (0.84   7.54 242.41) =  43.251%  kept
          QD2   LEU  115 - HN    LEU   63   6.84 +/- 1.01   1.884% *  0.0931% (0.57   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU   63  12.14 +/- 0.79   0.032% *  0.1475% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  11.75 +/- 0.68   0.042% *  0.0457% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.12 +/- 1.26   0.037% *  0.0508% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  12.29 +/- 0.97   0.032% *  0.0254% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  16.04 +/- 1.71   0.007% *  0.0865% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  16.11 +/- 1.19   0.007% *  0.0254% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.66 +/- 0.43  99.987% * 99.9341% (0.84  10.0   3.84  41.02) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  14.89 +/- 0.97   0.005% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.18 +/- 0.59   0.008% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.05 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.84, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.45 +/- 0.39  99.998% * 99.7231% (0.82  10.0   3.84  41.02) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.03 +/- 0.52   0.002% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  22.67 +/- 0.60   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  26.37 +/- 1.95   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  24.94 +/- 1.45   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.374, support = 0.0198, residual support = 0.0198:
          QB    LYS+  66 - HN    ASP-  62   6.23 +/- 0.60  88.999% *  5.0993% (0.32   0.02   0.02) =  83.029%  kept
          HG    LEU  123 - HN    ASP-  62  11.35 +/- 1.16   3.557% * 12.8527% (0.82   0.02   0.02) =   8.363%  kept
          HG3   PRO   68 - HN    ASP-  62  13.07 +/- 1.02   1.441% *  8.7895% (0.56   0.02   0.02) =   2.318%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.74 +/- 0.92   1.500% *  7.6923% (0.49   0.02   0.02) =   2.112%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.41 +/- 1.10   0.692% *  7.1484% (0.45   0.02   0.02) =   0.906%  kept
          HB3   PRO   52 - HN    ASP-  62  15.77 +/- 0.66   0.367% * 12.8527% (0.82   0.02   0.02) =   0.864%  kept
          HG2   PRO   93 - HN    ASP-  62  12.72 +/- 1.43   1.680% *  2.3795% (0.15   0.02   0.02) =   0.732%  kept
          QB    LYS+ 106 - HN    ASP-  62  13.76 +/- 0.95   0.974% *  3.3879% (0.21   0.02   0.02) =   0.604%  kept
          HB    VAL   41 - HN    ASP-  62  16.27 +/- 0.81   0.315% *  7.6923% (0.49   0.02   0.02) =   0.443%
          HG12  ILE  103 - HN    ASP-  62  18.34 +/- 1.54   0.166% *  9.8662% (0.63   0.02   0.02) =   0.300%
          HB    ILE  103 - HN    ASP-  62  20.08 +/- 0.80   0.089% *  8.2409% (0.52   0.02   0.02) =   0.135%
          QB    LYS+  33 - HN    ASP-  62  19.13 +/- 1.12   0.111% *  5.5858% (0.35   0.02   0.02) =   0.113%
          HB3   GLN   90 - HN    ASP-  62  21.73 +/- 0.80   0.056% *  4.6346% (0.29   0.02   0.02) =   0.047%
          QB    LYS+  81 - HN    ASP-  62  21.83 +/- 0.82   0.052% *  3.7777% (0.24   0.02   0.02) =   0.036%
    Distance limit 4.27 A violated in 20 structures by 1.83 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.3:
          QB    ALA   61 - HN    ASP-  62   2.93 +/- 0.09  98.234% * 94.7960% (0.80   2.79   8.30) =  99.991%  kept
          QG    LYS+  66 - HN    ASP-  62   6.40 +/- 1.12   1.596% *  0.4468% (0.52   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    ASP-  62   9.99 +/- 0.95   0.080% *  0.5898% (0.69   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ASP-  62  11.50 +/- 1.73   0.035% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  13.44 +/- 1.72   0.014% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.44 +/- 1.20   0.020% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.23 +/- 1.37   0.006% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.40 +/- 0.92   0.008% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  19.53 +/- 1.61   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  15.52 +/- 0.60   0.005% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  19.70 +/- 1.21   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.18 +/- 1.48   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.864, support = 1.73, residual support = 3.99:
          QB    LYS+  66 - HN    LEU   63   4.67 +/- 0.55  53.803% * 48.5081% (0.95   1.57   6.08) =  54.763%  kept
          QB    LYS+  65 - HN    LEU   63   4.79 +/- 0.26  44.697% * 48.2239% (0.76   1.93   1.47) =  45.228%  kept
          HG    LEU  123 - HN    LEU   63   9.83 +/- 1.14   0.776% *  0.2450% (0.38   0.02   0.02) =   0.004%
          HG2   PRO   93 - HN    LEU   63  13.02 +/- 1.43   0.125% *  0.6471% (0.99   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LEU   63  10.94 +/- 1.39   0.374% *  0.1454% (0.22   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LEU   63  13.37 +/- 0.54   0.089% *  0.4741% (0.73   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.28 +/- 0.69   0.062% *  0.5228% (0.80   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   63  16.20 +/- 1.49   0.032% *  0.4224% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  17.61 +/- 0.81   0.018% *  0.5663% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  16.61 +/- 0.75   0.025% *  0.2450% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.87, residual support = 40.8:
      O   HA    PHE   60 - HN    ALA   61   3.64 +/- 0.02  99.827% * 99.3945% (0.69  10.0   4.87  40.76) = 100.000%  kept
          HB    THR   94 - HN    ALA   61  13.12 +/- 0.74   0.048% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    ALA   61  13.96 +/- 0.56   0.032% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.59 +/- 0.74   0.025% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.58 +/- 0.72   0.039% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  15.38 +/- 0.67   0.018% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.54 +/- 0.84   0.012% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.77, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.83 +/- 0.04  98.530% * 99.8077% (0.95  10.0   2.77  18.03) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.76 +/- 0.24   1.449% *  0.0683% (0.65   1.0   0.02   0.74) =   0.001%
          HD2   PRO   68 - HN    ALA   61  13.22 +/- 0.96   0.011% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.33 +/- 1.03   0.010% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.83, residual support = 40.8:
          HB2   PHE   60 - HN    ALA   61   2.71 +/- 0.34  99.884% * 99.4602% (0.84   4.83  40.76) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.04 +/- 0.92   0.114% *  0.0976% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  17.95 +/- 0.66   0.002% *  0.4422% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 40.8:
          HB3   PHE   60 - HN    ALA   61   3.54 +/- 0.64  99.920% * 99.1717% (0.98   4.87  40.76) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.52 +/- 1.01   0.021% *  0.3601% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  13.73 +/- 0.74   0.041% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.15 +/- 1.42   0.016% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  24.55 +/- 1.41   0.001% *  0.1416% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.04 +/- 0.07  99.936% * 99.0576% (0.73  10.0   4.03  18.03) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.45 +/- 1.08   0.027% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.24 +/- 0.95   0.014% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  11.11 +/- 1.01   0.005% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  10.76 +/- 1.87   0.007% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  10.93 +/- 1.12   0.005% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  13.46 +/- 1.00   0.001% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  12.77 +/- 1.71   0.002% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  15.08 +/- 0.89   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  17.53 +/- 1.68   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.37 +/- 1.43   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.1, residual support = 37.9:
          HD3   PRO   58 - HN    PHE   59   2.30 +/- 0.04  99.893% * 99.4991% (0.76   6.10  37.87) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.21 +/- 0.16   0.105% *  0.1136% (0.26   0.02   0.25) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.24 +/- 1.03   0.001% *  0.3214% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  15.48 +/- 0.79   0.001% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.37, residual support = 57.3:
      O   HB2   PHE   59 - HN    PHE   59   2.51 +/- 0.48  99.439% * 99.5977% (0.76  10.0   4.37  57.30) =  99.999%  kept
          QB    PHE   55 - HN    PHE   59   6.83 +/- 0.42   0.413% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.29 +/- 0.92   0.070% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.44 +/- 1.41   0.052% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.18 +/- 1.08   0.022% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.86 +/- 0.79   0.004% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 57.3:
      O   HB3   PHE   59 - HN    PHE   59   2.38 +/- 0.47  99.963% * 99.9594% (0.67  10.0   4.98  57.30) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.60 +/- 0.77   0.036% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.42 +/- 0.66   0.001% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.3, residual support = 37.9:
      O   HB2   PRO   58 - HN    PHE   59   3.26 +/- 0.37  99.701% * 98.5251% (0.19  10.0   6.30  37.87) =  99.999%  kept
          HB2   GLN  116 - HN    PHE   59   9.34 +/- 0.70   0.278% *  0.3300% (0.64   1.0   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    PHE   59  14.51 +/- 1.16   0.017% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  19.60 +/- 1.46   0.003% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  24.45 +/- 0.63   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  25.52 +/- 1.05   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.3, residual support = 37.9:
          HG2   PRO   58 - HN    PHE   59   2.71 +/- 0.19  99.803% * 98.7275% (0.76   6.30  37.87) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   8.81 +/- 1.33   0.115% *  0.1315% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  12.25 +/- 0.65   0.013% *  0.3136% (0.76   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.61 +/- 0.90   0.061% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.03 +/- 1.61   0.007% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  22.29 +/- 1.47   0.000% *  0.3192% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.74 +/- 0.56   0.001% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  30.42 +/- 1.79   0.000% *  0.3199% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.689, support = 6.27, residual support = 37.7:
      O   HB3   PRO   58 - HN    PHE   59   4.06 +/- 0.25  82.091% * 97.6194% (0.69  10.0   6.30  37.87) =  99.550%  kept
          HB    ILE   56 - HN    PHE   59   5.40 +/- 0.73  17.811% *  2.0356% (0.19   1.0   1.50  19.86) =   0.450%
          HB2   MET   92 - HN    PHE   59  14.29 +/- 0.61   0.046% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.67 +/- 0.86   0.042% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  21.07 +/- 1.21   0.005% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  21.70 +/- 1.16   0.004% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  25.84 +/- 0.85   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  30.59 +/- 1.83   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.31 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 19.9:
          QG1   ILE   56 - HN    PHE   59   3.79 +/- 0.77  99.623% * 97.7319% (0.67   4.26  19.86) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.93 +/- 0.85   0.102% *  0.2369% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  14.79 +/- 1.03   0.050% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.15 +/- 1.50   0.106% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  16.34 +/- 0.76   0.023% *  0.3205% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  18.38 +/- 1.00   0.012% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.98 +/- 0.62   0.059% *  0.0815% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.34 +/- 0.93   0.009% *  0.4039% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  17.64 +/- 0.79   0.015% *  0.1803% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.355, support = 0.02, residual support = 1.9:
          HA    ALA   61 - HN    ALA   57   8.96 +/- 0.66  97.997% * 14.7090% (0.34   0.02   1.98) =  96.168%  kept
          HD2   PRO   68 - HN    ALA   57  18.74 +/- 1.18   1.228% * 22.6869% (0.53   0.02   0.02) =   1.859%  kept
          HA    VAL   24 - HN    ALA   57  21.16 +/- 1.20   0.645% * 41.6148% (0.97   0.02   0.02) =   1.791%  kept
          HA    LYS+  38 - HN    ALA   57  27.28 +/- 1.17   0.130% * 20.9893% (0.49   0.02   0.02) =   0.182%
    Distance limit 3.50 A violated in 20 structures by 5.43 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.345, support = 0.206, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   6.13 +/- 1.08  56.102% * 82.7283% (0.34   0.22   0.02) =  92.784%  kept
          HD2   ARG+  54 - HN    ALA   57   7.04 +/- 1.73  36.130% *  9.0553% (0.41   0.02   0.02) =   6.541%  kept
          HD3   PRO   93 - HN    ALA   57   8.87 +/- 1.36   7.668% *  4.3590% (0.20   0.02   0.02) =   0.668%  kept
          HD3   PRO   68 - HN    ALA   57  18.19 +/- 1.06   0.100% *  3.8575% (0.18   0.02   0.02) =   0.008%
    Distance limit 4.46 A violated in 10 structures by 0.91 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.508, support = 4.89, residual support = 29.9:
          HB    ILE   56 - HN    ALA   57   4.14 +/- 0.31  80.893% * 25.6657% (0.25   5.34  33.49) =  59.998%  kept
          HB3   PRO   58 - HN    ALA   57   5.35 +/- 0.16  18.932% * 73.1118% (0.90   4.23  24.56) =  40.000%  kept
          HB2   MET   92 - HN    ALA   57  12.26 +/- 0.78   0.133% *  0.2801% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.27 +/- 1.19   0.034% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  21.81 +/- 1.28   0.004% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  23.33 +/- 1.30   0.003% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  28.32 +/- 1.21   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  32.35 +/- 1.80   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 24.3:
      O   QB    ALA   57 - HN    ALA   57   2.24 +/- 0.37  99.962% * 99.4737% (0.92  10.0   4.87  24.31) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  11.29 +/- 1.34   0.021% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.96 +/- 1.03   0.010% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.37 +/- 1.47   0.004% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  16.54 +/- 1.30   0.002% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  18.02 +/- 0.80   0.001% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.46 +/- 0.94   0.000% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  23.66 +/- 1.55   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.56 +/- 1.01   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.5:
          QG2   ILE   56 - HN    ALA   57   3.39 +/- 0.71  99.848% * 97.4851% (0.87   5.34  33.49) = 100.000%  kept
          QB    ALA   91 - HN    ALA   57  12.60 +/- 0.88   0.055% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   57  12.00 +/- 1.29   0.073% *  0.1888% (0.45   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  18.08 +/- 1.68   0.006% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  19.20 +/- 0.96   0.004% *  0.4064% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.65 +/- 1.02   0.003% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.91 +/- 1.44   0.006% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  21.04 +/- 1.37   0.002% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  23.94 +/- 1.40   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.50 +/- 1.64   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.08 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 59.6:
      O   HB2   ASN   69 - HD21  ASN   69   2.77 +/- 0.51  99.661% * 99.6854% (0.36  10.0   3.63  59.57) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  11.02 +/- 2.19   0.333% *  0.1287% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  15.84 +/- 1.69   0.005% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.31 +/- 1.20   0.000% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.85 +/- 1.05   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.316, support = 4.13, residual support = 26.1:
          QG1   VAL   70 - HD21  ASN   69   3.70 +/- 1.08  87.908% * 94.6098% (0.32   4.15  26.18) =  99.553%  kept
          QD1   LEU   71 - HD21  ASN   69   7.62 +/- 1.76  11.461% *  3.2355% (0.19   0.24   0.02) =   0.444%
          HB3   LEU   63 - HD21  ASN   69  11.41 +/- 1.37   0.139% *  0.8055% (0.56   0.02   0.02) =   0.001%
          QD1   LEU  123 - HD21  ASN   69  10.45 +/- 1.81   0.400% *  0.2748% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  12.26 +/- 0.90   0.089% *  0.5533% (0.39   0.02   0.02) =   0.001%
          QG1   VAL  108 - HD21  ASN   69  21.32 +/- 1.12   0.003% *  0.5211% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 1 structures by 0.17 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.387, support = 0.0199, residual support = 0.0199:
          HA    LYS+  99 - HD21  ASN   69  10.03 +/- 1.58  18.624% * 19.7883% (0.53   0.02   0.02) =  43.759%  kept
          HA    LEU  123 - HD21  ASN   69  11.43 +/- 2.31  16.177% * 14.3693% (0.39   0.02   0.02) =  27.601%  kept
          HA    LEU   40 - HD21  ASN   69   8.23 +/- 1.42  60.735% *  2.8311% (0.08   0.02   0.02) =  20.416%  kept
          HA    ASN   35 - HD21  ASN   69  13.58 +/- 1.69   3.116% * 17.4728% (0.47   0.02   0.02) =   6.466%  kept
          HA    PHE   59 - HD21  ASN   69  16.90 +/- 1.25   1.006% *  8.6000% (0.23   0.02   0.02) =   1.027%  kept
          HA    ILE   56 - HD21  ASN   69  21.82 +/- 1.43   0.214% * 16.7505% (0.45   0.02   0.02) =   0.425%
          HA    ASP- 113 - HD21  ASN   69  23.64 +/- 1.82   0.128% * 20.1881% (0.54   0.02   0.02) =   0.307%
    Distance limit 4.79 A violated in 20 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.28, residual support = 17.7:
          QB    PHE   55 - HN    ILE   56   2.72 +/- 0.32  94.451% * 97.6879% (0.97   4.28  17.72) =  99.975%  kept
          HB3   CYS   53 - HN    ILE   56   5.23 +/- 0.47   2.282% *  0.4568% (0.97   0.02   0.02) =   0.011%
          HB2   PHE   59 - HN    ILE   56   6.18 +/- 0.83   1.829% *  0.3617% (0.76   0.02  19.86) =   0.007%
          HD2   ARG+  54 - HN    ILE   56   6.96 +/- 0.68   0.818% *  0.4369% (0.92   0.02   0.02) =   0.004%
          HD3   PRO   93 - HN    ILE   56   6.70 +/- 1.34   0.612% *  0.4723% (1.00   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    ILE   56  19.99 +/- 0.91   0.001% *  0.4691% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  16.94 +/- 0.80   0.002% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  17.37 +/- 0.65   0.002% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  18.69 +/- 1.33   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.58 +/- 0.63   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.57 +/- 1.35   0.000% *  0.0204% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  24.61 +/- 0.98   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.04, residual support = 122.9:
      O   HB    ILE   56 - HN    ILE   56   2.51 +/- 0.42  97.793% * 99.2786% (0.87  10.0   6.04 122.95) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   6.00 +/- 0.69   1.740% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ILE   56   7.62 +/- 0.39   0.181% *  0.0916% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56  10.12 +/- 0.67   0.035% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  10.05 +/- 1.48   0.095% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.14 +/- 0.82   0.006% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87   9.56 +/- 0.87   0.056% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  15.96 +/- 0.94   0.002% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.17 +/- 0.19   0.022% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  19.07 +/- 0.80   0.001% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.74 +/- 0.76   0.002% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.81 +/- 0.82   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  10.34 +/- 2.35   0.041% *  0.0008% (0.01   1.0   0.02   0.22) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  13.60 +/- 1.22   0.012% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  16.08 +/- 0.99   0.002% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.00 +/- 0.97   0.005% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  18.05 +/- 1.16   0.001% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.57 +/- 0.77   0.000% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  29.31 +/- 0.61   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.67 +/- 1.17   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  22.11 +/- 0.99   0.000% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  14.81 +/- 1.11   0.004% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  18.67 +/- 1.14   0.001% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  22.97 +/- 1.03   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  34.47 +/- 1.89   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  22.69 +/- 0.72   0.000% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  23.17 +/- 1.41   0.000% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  30.10 +/- 3.43   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 122.9:
          QG1   ILE   56 - HN    ILE   56   4.05 +/- 0.34  94.993% * 98.0274% (0.87   5.17 122.95) =  99.997%  kept
          HB3   MET   92 - HN    ILE   56   8.86 +/- 0.93   1.086% *  0.1959% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ILE   56  11.26 +/- 1.33   0.312% *  0.1490% (0.34   0.02   2.22) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87   8.58 +/- 1.26   1.589% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  14.92 +/- 1.03   0.044% *  0.3498% (0.80   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.73 +/- 0.77   1.278% *  0.0065% (0.01   0.02  18.04) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  10.71 +/- 1.36   0.457% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  15.24 +/- 0.87   0.038% *  0.1490% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.87 +/- 0.61   0.014% *  0.2650% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  21.44 +/- 0.89   0.005% *  0.3649% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  22.39 +/- 0.93   0.004% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  14.15 +/- 1.11   0.063% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.44 +/- 1.09   0.013% *  0.0674% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  14.90 +/- 0.96   0.044% *  0.0158% (0.04   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.08 +/- 0.97   0.027% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  16.07 +/- 0.41   0.026% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  22.13 +/- 1.17   0.004% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  23.99 +/- 1.35   0.003% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.19 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.225, support = 0.882, residual support = 5.22:
          QB    ALA  110 - HN    ILE   56   4.69 +/- 2.35  80.548% * 35.3467% (0.20   0.94   5.72) =  91.268%  kept
          HG    LEU  115 - HN    ILE   56   8.03 +/- 1.21   9.148% * 21.8264% (0.38   0.31   0.02) =   6.401%  kept
          HB3   LEU  115 - HN    ILE   56   7.60 +/- 1.05   3.808% * 18.0630% (0.92   0.10   0.02) =   2.205%  kept
          QB    ALA   61 - HN    ILE   56   8.50 +/- 0.55   2.028% *  1.4229% (0.38   0.02   0.02) =   0.092%
          QG    LYS+  66 - HN    ILE   56  13.76 +/- 1.20   0.119% *  2.7530% (0.73   0.02   0.02) =   0.010%
          HG    LEU   73 - HZ2   TRP   87   9.07 +/- 0.97   1.406% *  0.1476% (0.04   0.02   0.02) =   0.007%
          QB    ALA  120 - HN    ILE   56  13.58 +/- 0.88   0.114% *  1.4229% (0.38   0.02   0.02) =   0.005%
          HG    LEU   80 - HZ2   TRP   87   8.57 +/- 1.17   2.202% *  0.0366% (0.01   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE   56  17.66 +/- 1.22   0.023% *  3.1667% (0.84   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ILE   56  18.90 +/- 0.81   0.014% *  3.4001% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   56  18.24 +/- 0.92   0.017% *  1.9946% (0.53   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ILE   56  20.45 +/- 0.64   0.008% *  3.4997% (0.92   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HZ2   TRP   87  13.77 +/- 2.09   0.127% *  0.1588% (0.04   0.02   0.02) =   0.001%
          HG    LEU   40 - HZ2   TRP   87  13.69 +/- 1.11   0.105% *  0.1519% (0.04   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE   56  19.37 +/- 1.39   0.011% *  0.8441% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  26.64 +/- 1.55   0.002% *  3.6588% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  20.04 +/- 1.29   0.011% *  0.5850% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  21.79 +/- 0.81   0.006% *  0.7503% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  17.89 +/- 1.10   0.022% *  0.1519% (0.04   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  18.14 +/- 1.59   0.021% *  0.1374% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  16.07 +/- 0.73   0.037% *  0.0618% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  15.13 +/- 0.96   0.059% *  0.0326% (0.01   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  15.62 +/- 1.88   0.072% *  0.0254% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  18.06 +/- 0.87   0.019% *  0.0866% (0.02   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  16.11 +/- 0.52   0.039% *  0.0326% (0.01   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  19.87 +/- 1.06   0.010% *  0.1195% (0.03   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  19.91 +/- 1.37   0.011% *  0.0618% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  19.56 +/- 0.79   0.011% *  0.0618% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 1 structures by 0.22 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.5, residual support = 122.9:
          QG2   ILE   56 - HN    ILE   56   2.96 +/- 0.28  99.687% * 98.4197% (1.00   6.50 122.95) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  10.91 +/- 0.78   0.045% *  0.2198% (0.73   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87   9.85 +/- 0.93   0.099% *  0.0124% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  13.15 +/- 0.82   0.015% *  0.0599% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  10.64 +/- 0.81   0.059% *  0.0085% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.42 +/- 1.36   0.002% *  0.1958% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  20.46 +/- 0.42   0.001% *  0.2863% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  20.36 +/- 0.61   0.001% *  0.2198% (0.73   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  13.17 +/- 0.58   0.016% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.89 +/- 1.31   0.001% *  0.1136% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  14.08 +/- 1.36   0.011% *  0.0131% (0.04   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  13.65 +/- 1.29   0.014% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  12.23 +/- 0.97   0.026% *  0.0026% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  22.54 +/- 1.08   0.001% *  0.0530% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  30.46 +/- 1.13   0.000% *  0.2863% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  18.13 +/- 1.63   0.002% *  0.0124% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  15.97 +/- 1.57   0.005% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.61 +/- 0.93   0.000% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  14.84 +/- 1.49   0.008% *  0.0023% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  15.65 +/- 0.98   0.006% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.07 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.917, support = 5.42, residual support = 56.6:
          HB3   CYS   53 - HN    ARG+  54   3.68 +/- 0.19  57.214% * 35.6793% (0.94   5.36  32.50) =  66.883%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.70 +/- 0.27  13.941% * 45.5462% (0.95   6.79 165.53) =  20.803%  kept
          QB    PHE   55 - HN    ARG+  54   4.36 +/- 0.12  20.475% * 18.3394% (0.76   3.41   3.17) =  12.303%  kept
          HD3   PRO   93 - HN    ARG+  54   6.73 +/- 1.02   2.083% *  0.1204% (0.85   0.02   0.02) =   0.008%
          HB2   PHE   59 - HN    ASP-  62   5.42 +/- 0.24   5.825% *  0.0132% (0.09   0.02   6.56) =   0.003%
          HB2   PHE   59 - HN    ARG+  54  10.10 +/- 0.92   0.162% *  0.0706% (0.50   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.68 +/- 0.41   0.098% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  11.06 +/- 0.90   0.088% *  0.0218% (0.15   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  11.86 +/- 1.05   0.062% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.48 +/- 1.70   0.035% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.46 +/- 1.02   0.017% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  23.18 +/- 1.10   0.001% *  0.1164% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.34, residual support = 165.5:
      O   HB2   ARG+  54 - HN    ARG+  54   2.97 +/- 0.63  99.304% * 96.9633% (0.26  10.0   6.34 165.53) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   8.49 +/- 1.03   0.318% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  10.15 +/- 1.42   0.133% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.43 +/- 0.62   0.018% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.79 +/- 1.37   0.029% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  14.42 +/- 1.37   0.014% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.44 +/- 0.95   0.020% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  16.15 +/- 0.96   0.006% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.56 +/- 0.79   0.020% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  19.32 +/- 1.34   0.002% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.96 +/- 1.04   0.030% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.05 +/- 1.45   0.010% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.04 +/- 1.03   0.025% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.28 +/- 1.21   0.022% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.87 +/- 1.25   0.029% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  23.03 +/- 0.83   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  24.22 +/- 1.88   0.001% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.88 +/- 1.29   0.000% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  18.58 +/- 1.95   0.003% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.14 +/- 1.44   0.007% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.91 +/- 1.23   0.003% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.89 +/- 0.87   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  20.36 +/- 0.87   0.002% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  25.67 +/- 1.32   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  22.66 +/- 1.06   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.78 +/- 0.91   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  24.96 +/- 1.20   0.000% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  24.33 +/- 1.33   0.001% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.12 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.931, support = 6.28, residual support = 163.9:
          HG2   ARG+  54 - HN    ARG+  54   3.30 +/- 0.42  90.953% * 84.5395% (0.94   6.32 165.53) =  99.003%  kept
          HB3   PRO   52 - HN    ARG+  54   5.42 +/- 0.26   6.017% * 12.8124% (0.29   3.07   1.77) =   0.993%  kept
          HB    ILE   56 - HN    ARG+  54   6.25 +/- 0.71   2.460% *  0.1315% (0.46   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    ASP-  62   9.30 +/- 0.68   0.315% *  0.0246% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  14.76 +/- 1.22   0.016% *  0.2607% (0.91   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  15.37 +/- 0.58   0.011% *  0.2422% (0.85   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.74 +/- 0.92   0.035% *  0.0501% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  13.07 +/- 1.02   0.033% *  0.0488% (0.17   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.35 +/- 1.16   0.084% *  0.0156% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  17.65 +/- 1.05   0.005% *  0.2493% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  13.76 +/- 0.95   0.022% *  0.0453% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  14.41 +/- 1.10   0.018% *  0.0504% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.17 +/- 0.64   0.002% *  0.2695% (0.94   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.15 +/- 1.14   0.001% *  0.2648% (0.93   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.96 +/- 1.28   0.002% *  0.0834% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.13 +/- 1.12   0.003% *  0.0501% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  25.25 +/- 1.17   0.001% *  0.2607% (0.91   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.77 +/- 0.66   0.009% *  0.0156% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  25.89 +/- 0.85   0.000% *  0.2677% (0.94   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.08 +/- 0.80   0.002% *  0.0495% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  21.73 +/- 0.80   0.001% *  0.0488% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  21.83 +/- 0.82   0.001% *  0.0467% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.78 +/- 0.87   0.001% *  0.0535% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.43 +/- 1.06   0.004% *  0.0100% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.83 +/- 0.80   0.001% *  0.0172% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.99 +/- 0.47   0.000% *  0.0921% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.06 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.17, support = 2.77, residual support = 8.23:
          QB    ALA   61 - HN    ASP-  62   2.93 +/- 0.09  96.409% * 55.9168% (0.16   2.79   8.30) =  99.177%  kept
          QB    ALA  110 - HN    ARG+  54   6.33 +/- 1.85   1.780% * 24.7868% (0.95   0.21   0.02) =   0.812%  kept
          QG    LYS+  66 - HN    ASP-  62   6.40 +/- 1.12   1.568% *  0.2635% (0.11   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    ARG+  54  10.12 +/- 0.73   0.063% *  2.1435% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ASP-  62   9.99 +/- 0.95   0.078% *  0.3479% (0.14   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ASP-  62  11.50 +/- 1.73   0.034% *  0.4345% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  13.44 +/- 1.72   0.014% *  0.4306% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  15.60 +/- 0.77   0.004% *  1.1303% (0.46   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.44 +/- 1.20   0.019% *  0.2115% (0.09   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.90 +/- 1.26   0.003% *  1.4084% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.78 +/- 1.26   0.002% *  2.3169% (0.94   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  18.38 +/- 1.51   0.002% *  1.5950% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  21.28 +/- 1.20   0.001% *  2.3015% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.23 +/- 1.37   0.006% *  0.2286% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  21.24 +/- 1.15   0.001% *  1.8593% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.40 +/- 0.92   0.007% *  0.1786% (0.07   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  20.32 +/- 0.56   0.001% *  0.9546% (0.39   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.60 +/- 1.37   0.001% *  1.2217% (0.50   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  19.53 +/- 1.61   0.001% *  0.4335% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  15.52 +/- 0.60   0.005% *  0.1083% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  20.86 +/- 0.64   0.001% *  0.5790% (0.24   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  19.70 +/- 1.21   0.001% *  0.2984% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.29 +/- 1.48   0.000% *  0.7167% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.18 +/- 1.48   0.000% *  0.1341% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.46, support = 2.76, residual support = 10.8:
      O   HA2   GLY   51 - HN    GLY   51   2.68 +/- 0.18  44.995% * 83.6612% (0.49  10.0   2.21  10.17) =  81.824%  kept
          HD2   PRO   52 - HN    GLY   51   2.66 +/- 0.50  54.869% * 15.2390% (0.34   1.0   5.20  13.58) =  18.175%  kept
          QB    SER   48 - HN    GLY   51   7.05 +/- 0.81   0.132% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  12.64 +/- 0.88   0.004% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  17.47 +/- 1.06   0.001% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.11 +/- 1.07   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  17.58 +/- 1.58   0.001% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.40 +/- 1.31   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  24.26 +/- 1.03   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.80 +/- 1.21   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  26.23 +/- 1.07   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  31.14 +/- 0.72   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.21, residual support = 7.36:
      O   QB    CYS   50 - HN    CYS   50   2.93 +/- 0.19  99.641% * 99.5165% (0.69  10.0   1.21   7.36) =  99.999%  kept
          HB3   ASP-  78 - HN    CYS   50   9.32 +/- 1.80   0.298% *  0.1995% (0.84   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    CYS   50  10.39 +/- 0.85   0.061% *  0.1734% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  23.77 +/- 0.97   0.000% *  0.0368% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  29.25 +/- 0.95   0.000% *  0.0737% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.08, residual support = 7.12:
          QB    ALA   47 - HN    CYS   50   2.00 +/- 0.11  99.998% * 97.7563% (0.57   2.08   7.12) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  15.24 +/- 0.89   0.001% *  1.2072% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.74 +/- 0.32   0.001% *  0.7454% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  16.07 +/- 1.78   0.001% *  0.2912% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.325, support = 3.54, residual support = 14.9:
      O   HA    SER   48 - HN    TRP   49   3.56 +/- 0.06  30.791% * 70.4134% (0.22  10.0   3.24  14.86) =  54.771%  kept
          QB    SER   48 - HN    TRP   49   3.13 +/- 0.42  64.598% * 27.7027% (0.45   1.0   3.91  14.86) =  45.208%  kept
          HD2   PRO   52 - HN    TRP   49   5.32 +/- 0.51   3.885% *  0.2046% (0.65   1.0   0.02   3.49) =   0.020%
          HA2   GLY   51 - HN    TRP   49   6.83 +/- 0.57   0.689% *  0.0704% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    TRP   49  11.91 +/- 0.65   0.023% *  0.1079% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  14.56 +/- 1.00   0.007% *  0.3052% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  15.13 +/- 1.42   0.006% *  0.1300% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.44 +/- 1.07   0.000% *  0.3135% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  26.44 +/- 1.07   0.000% *  0.3052% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.43 +/- 0.89   0.000% *  0.2173% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  29.38 +/- 0.70   0.000% *  0.1418% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.95 +/- 1.06   0.000% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 74.8:
      O   HB3   TRP   49 - HN    TRP   49   2.75 +/- 0.35  99.997% * 99.8958% (0.80  10.0   4.00  74.81) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.62 +/- 0.98   0.003% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.415, support = 2.57, residual support = 9.54:
      O   QB    SER   48 - HN    SER   48   2.32 +/- 0.21  73.961% * 66.2308% (0.45  10.0   2.56   9.54) =  85.206%  kept
      O   HA    SER   48 - HN    SER   48   2.78 +/- 0.02  25.859% * 32.8893% (0.22  10.0   2.61   9.54) =  14.794%  kept
          HD2   PRO   52 - HN    SER   48   6.81 +/- 0.51   0.140% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   9.03 +/- 0.47   0.023% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  10.47 +/- 0.84   0.010% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  12.65 +/- 1.00   0.003% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  13.32 +/- 1.38   0.003% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.79 +/- 0.98   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  25.42 +/- 0.98   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  26.07 +/- 0.86   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  27.11 +/- 0.76   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.32 +/- 1.06   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.15:
          QB    ALA   47 - HN    SER   48   2.77 +/- 0.11  99.991% * 99.1204% (0.90   4.08   6.15) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.75 +/- 0.27   0.005% *  0.4336% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.82 +/- 0.79   0.003% *  0.2032% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  18.64 +/- 1.88   0.001% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.831, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   8.92 +/- 0.75  93.388% * 52.2208% (0.84   0.02   0.02) =  93.916%  kept
          HB2   TRP   87 - HN    ALA   47  14.16 +/- 0.76   6.612% * 47.7792% (0.76   0.02   0.02) =   6.084%  kept
    Distance limit 4.16 A violated in 20 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.41, residual support = 7.02:
          QB    CYS   50 - HN    ALA   47   3.68 +/- 0.40  96.232% * 64.2832% (0.97   1.42   7.12) =  98.605%  kept
          QE    LYS+  74 - HN    ALA   47   7.36 +/- 1.00   2.524% * 34.4458% (0.98   0.75   0.02) =   1.386%  kept
          HB3   ASP-  78 - HN    ALA   47   8.76 +/- 1.54   1.213% *  0.4561% (0.49   0.02   0.02) =   0.009%
          HB2   PHE   72 - HN    ALA   47  14.77 +/- 1.07   0.030% *  0.2086% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.79 +/- 0.93   0.001% *  0.6062% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.21, residual support = 12.7:
          QG2   THR   46 - HN    ALA   47   3.54 +/- 0.38  99.741% * 97.5709% (0.97   3.21  12.68) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  10.90 +/- 1.01   0.169% *  0.5656% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  12.42 +/- 0.27   0.062% *  0.4332% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  15.75 +/- 0.74   0.015% *  0.5966% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.33 +/- 0.44   0.009% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  19.45 +/- 0.90   0.004% *  0.5268% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 11.0:
      O   QB    ALA   47 - HN    ALA   47   2.42 +/- 0.11  99.984% * 99.7622% (0.57  10.0   2.36  10.96) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.50 +/- 0.81   0.006% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.74 +/- 0.25   0.008% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  15.08 +/- 1.64   0.002% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.25, residual support = 34.5:
      O   HB    THR   46 - HN    THR   46   3.39 +/- 0.35  99.953% * 99.3656% (0.25  10.0   3.25  34.52) = 100.000%  kept
          HA    LYS+ 112 - HN    THR   46  15.72 +/- 1.11   0.015% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    THR   46  14.29 +/- 1.50   0.029% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.61 +/- 0.93   0.003% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 11.4:
          QG2   THR   77 - HN    THR   46   3.02 +/- 0.34  97.550% * 95.6480% (0.61   3.60  11.41) =  99.994%  kept
          HB3   ASP-  44 - HN    THR   46   5.92 +/- 0.30   2.108% *  0.1952% (0.22   0.02   0.02) =   0.004%
          HB3   LEU   80 - HN    THR   46   8.62 +/- 1.06   0.255% *  0.3605% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  11.13 +/- 0.74   0.053% *  0.8295% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  12.52 +/- 0.84   0.025% *  0.2706% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  16.88 +/- 0.86   0.004% *  0.5672% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  17.14 +/- 0.56   0.003% *  0.4964% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.60 +/- 0.64   0.001% *  0.7864% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.32 +/- 0.48   0.000% *  0.8462% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.941, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.31 +/- 1.21  68.556% * 32.0586% (0.99   0.02   0.02) =  73.842%  kept
          QD1   ILE  119 - HN    THR   46  12.29 +/- 0.64  25.572% * 25.8997% (0.80   0.02   0.02) =  22.253%  kept
          HB2   LEU  104 - HN    THR   46  17.90 +/- 0.62   2.610% * 32.0586% (0.99   0.02   0.02) =   2.811%  kept
          HG3   LYS+ 112 - HN    THR   46  17.47 +/- 1.31   3.262% *  9.9831% (0.31   0.02   0.02) =   1.094%  kept
    Distance limit 4.59 A violated in 20 structures by 5.01 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.39, residual support = 34.5:
          QG2   THR   46 - HN    THR   46   2.43 +/- 0.35  99.817% * 97.4005% (0.97   3.39  34.52) =  99.999%  kept
          QG2   VAL   18 - HN    THR   46   9.36 +/- 1.22   0.075% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    THR   46   9.00 +/- 0.32   0.053% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46  10.36 +/- 1.06   0.041% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  13.07 +/- 0.63   0.006% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.97 +/- 0.44   0.004% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  15.08 +/- 0.63   0.002% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  16.83 +/- 0.93   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.66, residual support = 2.01:
          QG1   VAL   75 - HN    THR   46   3.81 +/- 0.63  99.752% * 99.0129% (0.92   1.66   2.01) =  99.998%  kept
          QD1   LEU  115 - HN    THR   46  11.58 +/- 1.11   0.248% *  0.9871% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.1:
          HB    THR   94 - HN    PHE   45   4.59 +/- 0.70  97.577% * 94.1909% (0.65   3.30  27.06) =  99.987%  kept
          QB    SER   48 - HN    PHE   45  11.37 +/- 0.40   0.584% *  0.6747% (0.76   0.02   0.02) =   0.004%
          QB    SER   85 - HN    PHE   45  12.91 +/- 0.41   0.280% *  0.8520% (0.97   0.02   0.02) =   0.003%
          HD2   PRO   52 - HN    PHE   45  11.24 +/- 0.56   0.621% *  0.3012% (0.34   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    PHE   45  15.31 +/- 0.76   0.096% *  0.8150% (0.92   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    PHE   45  14.31 +/- 0.34   0.149% *  0.4297% (0.49   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    PHE   45  12.44 +/- 0.50   0.380% *  0.1546% (0.18   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    PHE   45  17.15 +/- 0.64   0.047% *  0.8352% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.13 +/- 0.82   0.163% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  17.77 +/- 0.67   0.041% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.75 +/- 0.83   0.038% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.62 +/- 0.55   0.024% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 2 structures by 0.28 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 80.5:
      O   HB2   PHE   45 - HN    PHE   45   2.49 +/- 0.11  99.980% * 99.8561% (0.99  10.0   3.68  80.51) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  11.16 +/- 1.28   0.016% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  13.92 +/- 1.05   0.004% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.01, residual support = 80.5:
      O   HB3   PHE   45 - HN    PHE   45   3.63 +/- 0.05  98.671% * 99.6079% (0.87  10.0   4.01  80.51) =  99.999%  kept
          HB    VAL  107 - HN    PHE   45   7.88 +/- 0.98   1.136% *  0.0515% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    PHE   45  12.30 +/- 0.52   0.068% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    PHE   45  13.59 +/- 1.46   0.044% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  12.20 +/- 0.90   0.077% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.41 +/- 1.03   0.005% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.483, support = 4.07, residual support = 19.0:
          HB3   ASP-  44 - HN    PHE   45   3.24 +/- 0.14  92.113% * 68.1821% (0.49   4.10  19.20) =  98.179%  kept
          QG2   THR   77 - HN    PHE   45   5.67 +/- 0.49   4.256% * 27.2467% (0.31   2.59   8.41) =   1.813%  kept
          HB3   PRO   93 - HN    PHE   45   6.25 +/- 0.82   2.791% *  0.1054% (0.15   0.02   0.02) =   0.005%
          HB2   LEU   63 - HN    PHE   45   9.22 +/- 0.81   0.213% *  0.4143% (0.61   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    PHE   45  10.43 +/- 1.21   0.111% *  0.4960% (0.73   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   45   8.38 +/- 0.53   0.340% *  0.1196% (0.18   0.02   0.70) =   0.001%
          QB    ALA   88 - HN    PHE   45  10.59 +/- 0.61   0.080% *  0.4691% (0.69   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    PHE   45  11.02 +/- 0.98   0.068% *  0.1703% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   45  14.28 +/- 1.09   0.014% *  0.6305% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  15.68 +/- 0.53   0.008% *  0.5924% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  17.75 +/- 0.63   0.004% *  0.6815% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.39 +/- 0.43   0.001% *  0.6591% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.30 +/- 0.94   0.002% *  0.2330% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.818, support = 1.07, residual support = 11.4:
          QD1   ILE   89 - HN    PHE   45   4.78 +/- 0.59  88.328% * 53.2433% (0.80   1.10  12.38) =  90.553%  kept
          QG2   VAL   83 - HN    PHE   45   7.25 +/- 0.94  10.704% * 45.7435% (0.98   0.77   1.93) =   9.428%  kept
          QD2   LEU   31 - HN    PHE   45  10.53 +/- 0.47   0.968% *  1.0131% (0.84   0.02   0.02) =   0.019%
    Distance limit 4.30 A violated in 4 structures by 0.43 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.00 +/- 0.08  99.937% * 98.4423% (1.00   4.10  12.49) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  11.95 +/- 1.03   0.028% *  0.3852% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  12.79 +/- 0.70   0.018% *  0.2157% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  15.36 +/- 1.53   0.007% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  14.75 +/- 0.87   0.008% *  0.0651% (0.14   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.34 +/- 1.13   0.002% *  0.2918% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.69 +/- 1.00   0.001% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 8.2:
          HN    CYS   50 - HN    CYS   53   4.80 +/- 0.42  99.962% * 77.1198% (0.87  1.00   0.75   8.20) =  99.989%  kept
        T HN    VAL   83 - HN    CYS   53  18.21 +/- 0.57   0.038% * 22.8802% (0.97 10.00   0.02   0.02) =   0.011%
    Distance limit 4.71 A violated in 0 structures by 0.22 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 52.9:
      O   HA    PRO   52 - HN    CYS   53   3.48 +/- 0.02  99.890% * 99.8358% (0.61  10.0   7.18  52.92) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  10.95 +/- 0.64   0.110% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.78, residual support = 43.6:
      O   HA    CYS   53 - HN    CYS   53   2.76 +/- 0.04  99.995% * 99.7036% (0.90  10.0   4.78  43.58) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.85 +/- 1.18   0.003% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  19.59 +/- 0.86   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.50 +/- 0.88   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.69 +/- 0.87   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  26.71 +/- 1.37   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  27.37 +/- 0.62   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 8.16, residual support = 52.5:
          HD2   PRO   52 - HN    CYS   53   2.26 +/- 0.02  98.736% * 60.8344% (0.34   8.20  52.92) =  99.268%  kept
          HA2   GLY   51 - HN    CYS   53   4.72 +/- 0.15   1.217% * 36.3811% (0.49   3.44   0.02) =   0.732%  kept
          QB    SER   48 - HN    CYS   53   8.78 +/- 0.34   0.030% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.07 +/- 0.64   0.014% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  16.95 +/- 0.69   0.001% *  0.4200% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  16.13 +/- 1.26   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.77 +/- 0.75   0.000% *  0.4017% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.75 +/- 0.98   0.000% *  0.4116% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  16.40 +/- 1.12   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  23.65 +/- 0.94   0.000% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.58 +/- 1.14   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  29.28 +/- 0.70   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.964, support = 4.97, residual support = 43.9:
      O   HB2   CYS   53 - HN    CYS   53   2.78 +/- 0.43  81.063% * 84.8420% (0.98  10.0   4.92  43.58) =  96.076%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.02  18.788% * 14.9515% (0.57   1.0   6.10  52.92) =   3.924%  kept
          HD2   PRO   58 - HN    CYS   53   8.37 +/- 0.77   0.147% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  18.55 +/- 0.64   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.52 +/- 0.99   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.13 +/- 0.71   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.53, residual support = 43.3:
      O   HB3   CYS   53 - HN    CYS   53   2.56 +/- 0.63  87.604% * 93.6472% (0.97  10.0   5.56  43.58) =  99.301%  kept
          HD3   PRO   93 - HN    CYS   53   4.58 +/- 0.98   9.580% *  5.9992% (1.00   1.0   1.24   0.02) =   0.696%  kept
          QB    PHE   55 - HN    CYS   53   5.18 +/- 0.20   2.427% *  0.0936% (0.97   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    CYS   53   7.15 +/- 0.43   0.352% *  0.0896% (0.92   1.0   0.02  32.50) =   0.000%
          HB2   PHE   59 - HN    CYS   53  10.60 +/- 1.02   0.036% *  0.0742% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  23.66 +/- 1.08   0.000% *  0.0962% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.2:
          QB    CYS   50 - HN    CYS   53   4.64 +/- 0.26  98.890% * 98.0457% (0.69   2.96   8.20) =  99.992%  kept
          QE    LYS+  74 - HN    CYS   53  10.63 +/- 0.91   0.821% *  0.7010% (0.73   0.02   0.02) =   0.006%
          HB3   ASP-  78 - HN    CYS   53  13.30 +/- 1.85   0.272% *  0.8064% (0.84   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    CYS   53  20.66 +/- 1.06   0.014% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  27.51 +/- 1.14   0.002% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.16 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 52.9:
          HG2   PRO   52 - HN    CYS   53   4.06 +/- 0.30  91.743% * 94.9820% (0.25   7.21  52.92) =  99.926%  kept
          HG2   MET   92 - HN    CYS   53   6.57 +/- 0.84   7.702% *  0.8080% (0.76   0.02   0.02) =   0.071%
          QG    GLU- 114 - HN    CYS   53  12.11 +/- 1.49   0.158% *  0.7263% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  12.16 +/- 0.66   0.136% *  0.2636% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  11.55 +/- 1.02   0.212% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  16.05 +/- 1.27   0.028% *  0.6413% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  17.48 +/- 0.67   0.015% *  0.1852% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  23.47 +/- 1.01   0.003% *  0.3606% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  23.88 +/- 1.20   0.002% *  0.2354% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  31.79 +/- 1.31   0.000% *  0.8466% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  34.04 +/- 1.06   0.000% *  0.8080% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 7.2, residual support = 52.9:
          HG3   PRO   52 - HN    CYS   53   2.96 +/- 0.28  90.143% * 98.8862% (0.98   7.21  52.92) =  99.990%  kept
          HB2   PRO   93 - HN    CYS   53   5.65 +/- 1.60   5.455% *  0.1151% (0.41   0.02   0.02) =   0.007%
          HB2   ARG+  54 - HN    CYS   53   5.47 +/- 0.72   4.329% *  0.0490% (0.18   0.02  32.50) =   0.002%
          HG2   PRO   58 - HN    CYS   53  10.52 +/- 0.66   0.055% *  0.2745% (0.98   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   53  12.55 +/- 1.36   0.019% *  0.0379% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  27.71 +/- 1.63   0.000% *  0.2794% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  26.29 +/- 0.83   0.000% *  0.0779% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  36.24 +/- 1.97   0.000% *  0.2800% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.659, support = 7.16, residual support = 51.9:
      O   HB3   PRO   52 - HN    CYS   53   4.07 +/- 0.38  76.521% * 77.7500% (0.65  10.0   7.32  52.92) =  95.130%  kept
          HG2   ARG+  54 - HN    CYS   53   5.58 +/- 0.50  14.203% * 21.4291% (0.90   1.0   3.98  32.50) =   4.867%  kept
          HB    ILE   56 - HN    CYS   53   6.28 +/- 1.17   9.051% *  0.0238% (0.20   1.0   0.02   0.02) =   0.003%
          HB3   GLN   90 - HN    CYS   53  12.28 +/- 1.23   0.120% *  0.0826% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  13.95 +/- 0.61   0.053% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  15.85 +/- 1.09   0.027% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.24 +/- 0.72   0.008% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  21.48 +/- 1.34   0.004% *  0.0778% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  22.58 +/- 1.18   0.003% *  0.1109% (0.92   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  21.28 +/- 1.60   0.004% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  25.79 +/- 1.12   0.001% *  0.1137% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.30 +/- 0.87   0.001% *  0.0919% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  22.17 +/- 0.77   0.003% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.88, residual support = 45.6:
        T HN    GLN   32 - HN    LEU   31   2.70 +/- 0.09  96.547% * 99.2679% (0.78 10.00   5.88  45.63) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.76 +/- 0.12   3.409% *  0.0183% (0.14  1.00   0.02   4.71) =   0.001%
          HN    THR   94 - HN    PHE   55  10.08 +/- 0.78   0.040% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  16.49 +/- 1.02   0.002% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.24 +/- 0.81   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  28.89 +/- 0.62   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.93 +/- 0.57   0.000% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  28.14 +/- 0.64   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.529, support = 6.92, residual support = 49.7:
        T HN    GLN   30 - HN    LEU   31   2.51 +/- 0.09  96.995% * 82.0883% (0.53 10.00   6.95  50.02) =  99.355%  kept
          HN    GLU-  29 - HN    LEU   31   4.49 +/- 0.19   3.000% * 17.2424% (0.91  1.00   2.43   0.02) =   0.645%  kept
          HN    ASP-  86 - HN    LEU   31  15.09 +/- 1.16   0.002% *  0.0938% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.30 +/- 0.68   0.002% *  0.0403% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  26.42 +/- 0.82   0.000% *  0.4004% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  17.66 +/- 1.01   0.001% *  0.0197% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.63 +/- 0.58   0.000% *  0.0458% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.75 +/- 0.85   0.000% *  0.0693% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.482, support = 3.11, residual support = 19.8:
      O   HA    PHE   55 - HN    PHE   55   2.84 +/- 0.05  92.957% * 99.0930% (0.48  10.0   3.11  19.76) =  99.997%  kept
          HA    TRP   27 - HN    LEU   31   4.50 +/- 0.29   6.338% *  0.0276% (0.13   1.0   0.02  10.34) =   0.002%
          HA    ALA  110 - HN    PHE   55   7.13 +/- 1.95   0.669% *  0.1465% (0.71   1.0   0.02   0.48) =   0.001%
          HA    ALA   91 - HN    PHE   55  11.95 +/- 0.98   0.019% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.37 +/- 0.74   0.009% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  14.67 +/- 1.18   0.006% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  20.68 +/- 1.19   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.11 +/- 0.65   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.28 +/- 1.15   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  23.57 +/- 0.97   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.99 +/- 0.88   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.57 +/- 0.81   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.787, support = 2.88, residual support = 19.8:
      O   QB    PHE   55 - HN    PHE   55   2.08 +/- 0.12  99.074% * 99.1124% (0.79  10.0   2.88  19.76) =  99.999%  kept
          HB3   CYS   53 - HN    PHE   55   5.34 +/- 0.19   0.381% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   55   5.31 +/- 0.27   0.392% *  0.0867% (0.69   1.0   0.02   3.17) =   0.000%
          HD3   PRO   93 - HN    PHE   55   6.82 +/- 1.07   0.121% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.47 +/- 0.85   0.033% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.02 +/- 0.69   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  22.21 +/- 1.04   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.40 +/- 0.78   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  22.05 +/- 1.52   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  23.70 +/- 1.08   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  24.21 +/- 0.67   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  28.58 +/- 1.48   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.344, support = 3.44, residual support = 8.5:
      O   HA    ARG+  54 - HN    PHE   55   3.54 +/- 0.04  37.170% * 70.9526% (0.25  10.0   3.28   3.17) =  61.605%  kept
          HA    ASN   28 - HN    LEU   31   3.26 +/- 0.10  61.039% * 26.9247% (0.50   1.0   3.70  17.05) =  38.390%  kept
          HA    THR   26 - HN    LEU   31   6.39 +/- 0.24   1.096% *  0.1126% (0.39   1.0   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LEU   31   7.22 +/- 0.19   0.526% *  0.1680% (0.58   1.0   0.02   4.71) =   0.002%
          HA1   GLY  101 - HN    LEU   31  10.35 +/- 1.85   0.118% *  0.1737% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  11.54 +/- 1.15   0.039% *  0.1994% (0.69   1.0   0.02   4.16) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.27 +/- 0.99   0.010% *  0.2175% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.38 +/- 0.77   0.001% *  0.1510% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  26.27 +/- 0.77   0.000% *  0.1920% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.88 +/- 0.98   0.000% *  0.1647% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  27.87 +/- 1.27   0.000% *  0.2294% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  28.18 +/- 0.53   0.000% *  0.2219% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.72 +/- 1.00   0.000% *  0.1487% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  25.28 +/- 0.92   0.000% *  0.0537% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  25.36 +/- 1.03   0.000% *  0.0512% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  25.25 +/- 1.70   0.000% *  0.0388% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.05, residual support = 230.7:
      O   HA    LEU   31 - HN    LEU   31   2.77 +/- 0.03 100.000% * 99.9512% (0.60  10.0   7.05 230.71) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  26.34 +/- 0.54   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.475, support = 5.69, residual support = 41.4:
          HB2   GLN   30 - HN    LEU   31   3.26 +/- 0.25  58.971% * 34.1299% (0.48   6.12  50.02) =  72.669%  kept
          HB2   ARG+  54 - HN    PHE   55   3.58 +/- 0.19  34.813% * 14.6181% (0.39   3.27   3.17) =  18.374%  kept
          HG3   GLN   30 - HN    LEU   31   4.92 +/- 0.18   5.043% * 49.1834% (0.60   7.13  50.02) =   8.955%  kept
          HB2   PRO   93 - HN    PHE   55   7.04 +/- 1.48   0.995% *  0.0409% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    PHE   55  11.38 +/- 0.63   0.034% *  0.1041% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31  10.04 +/- 0.44   0.070% *  0.0430% (0.19   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  12.88 +/- 1.20   0.019% *  0.1208% (0.52   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  12.94 +/- 1.95   0.024% *  0.0678% (0.29   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  14.21 +/- 1.07   0.010% *  0.1472% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  13.77 +/- 1.33   0.011% *  0.1041% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  16.32 +/- 0.78   0.004% *  0.0678% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.21 +/- 1.00   0.001% *  0.1208% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  19.59 +/- 1.26   0.001% *  0.0895% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  20.78 +/- 1.21   0.001% *  0.0788% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  24.14 +/- 1.20   0.000% *  0.1595% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  25.11 +/- 1.88   0.000% *  0.1822% (0.79   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  22.91 +/- 1.11   0.000% *  0.1115% (0.48   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  24.59 +/- 0.86   0.000% *  0.1472% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  23.00 +/- 0.83   0.000% *  0.0895% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  21.10 +/- 1.42   0.001% *  0.0310% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.03 +/- 1.31   0.000% *  0.0788% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.36 +/- 0.92   0.000% *  0.1595% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  27.67 +/- 1.00   0.000% *  0.0678% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.31 +/- 1.31   0.000% *  0.0567% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.05, residual support = 230.7:
      O   HB2   LEU   31 - HN    LEU   31   2.48 +/- 0.12  99.678% * 98.5368% (0.78  10.0   7.05 230.71) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.07 +/- 1.11   0.239% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.30 +/- 1.20   0.029% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  12.25 +/- 0.86   0.008% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.78 +/- 0.59   0.010% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  11.91 +/- 1.04   0.009% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.30 +/- 0.67   0.007% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.68 +/- 0.76   0.003% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  14.12 +/- 0.80   0.003% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.52 +/- 0.80   0.004% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  13.94 +/- 0.68   0.003% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.33 +/- 1.14   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  14.96 +/- 0.47   0.002% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  21.04 +/- 1.40   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  21.83 +/- 1.62   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.24 +/- 1.10   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.16 +/- 1.14   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  21.42 +/- 0.89   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  21.76 +/- 1.01   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.61 +/- 0.77   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.59 +/- 1.44   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  27.21 +/- 0.53   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.81 +/- 0.86   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.63 +/- 0.60   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.05, residual support = 230.7:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.02  96.711% * 99.4260% (0.83  10.0   7.05 230.71) =  99.999%  kept
          HD3   LYS+ 112 - HN    PHE   55   9.33 +/- 1.53   1.797% *  0.0167% (0.14   1.0   0.02   2.88) =   0.000%
          QG1   VAL   24 - HN    LEU   31   8.18 +/- 0.88   0.841% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  10.78 +/- 0.29   0.121% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   8.79 +/- 0.75   0.462% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  13.26 +/- 1.04   0.039% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  16.30 +/- 1.40   0.012% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  20.43 +/- 1.35   0.003% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.92 +/- 0.74   0.006% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.09 +/- 1.42   0.001% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  21.02 +/- 1.41   0.002% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.32 +/- 1.51   0.003% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.97 +/- 0.59   0.000% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  29.15 +/- 1.14   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.638, support = 7.27, residual support = 222.9:
          HG    LEU   31 - HN    LEU   31   2.88 +/- 0.61  86.016% * 62.7604% (0.64   7.44 230.71) =  96.464%  kept
          QD1   ILE   56 - HN    PHE   55   4.88 +/- 0.52   5.579% * 19.0387% (0.45   3.21  17.72) =   1.898%  kept
          QD2   LEU   73 - HN    LEU   31   5.42 +/- 0.63   5.242% * 17.4606% (0.78   1.70   3.35) =   1.635%  kept
          QG1   VAL   41 - HN    LEU   31   5.53 +/- 0.52   3.157% *  0.0430% (0.16   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LEU   31  20.61 +/- 0.89   0.001% *  0.2433% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  17.47 +/- 0.89   0.002% *  0.1000% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.39 +/- 0.94   0.001% *  0.1686% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  21.07 +/- 1.37   0.001% *  0.0822% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  25.08 +/- 0.57   0.000% *  0.0822% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.51 +/- 0.45   0.001% *  0.0210% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.11 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.8, residual support = 230.7:
          QD2   LEU   31 - HN    LEU   31   2.22 +/- 0.30  99.926% * 97.7194% (0.18   6.80 230.71) =  99.999%  kept
          QG2   VAL   43 - HN    LEU   31   7.91 +/- 0.73   0.072% *  1.4386% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   43 - HN    PHE   55  14.51 +/- 0.65   0.002% *  0.7018% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  20.01 +/- 0.46   0.000% *  0.1401% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.602, support = 2.13, residual support = 3.35:
          QD1   LEU   73 - HN    LEU   31   3.80 +/- 0.37  96.515% * 91.3151% (0.60   2.13   3.35) =  99.965%  kept
          QD2   LEU   80 - HN    LEU   31   8.86 +/- 1.45   1.066% *  1.2780% (0.90   0.02   0.02) =   0.015%
          QG1   VAL   83 - HN    LEU   31   8.50 +/- 0.65   0.969% *  0.8567% (0.60   0.02   0.02) =   0.009%
          QD2   LEU  115 - HN    PHE   55   8.70 +/- 1.05   1.059% *  0.6111% (0.43   0.02   4.16) =   0.007%
          QD1   LEU   63 - HN    PHE   55  10.99 +/- 0.89   0.236% *  0.4179% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   31  13.38 +/- 1.14   0.074% *  1.3125% (0.92   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   31  14.37 +/- 0.65   0.038% *  0.8567% (0.60   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    PHE   55  17.50 +/- 1.18   0.013% *  0.6234% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  20.20 +/- 1.77   0.006% *  1.2527% (0.88   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  17.99 +/- 0.83   0.010% *  0.4179% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  18.30 +/- 0.52   0.009% *  0.4179% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  19.89 +/- 0.86   0.005% *  0.6403% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.671, support = 7.59, residual support = 49.7:
          HB3   GLN   30 - HN    LEU   31   2.87 +/- 0.26  92.670% * 87.2504% (0.68   7.63  50.02) =  99.055%  kept
          HB    ILE   56 - HN    PHE   55   4.60 +/- 0.55   7.081% * 10.8942% (0.17   3.78  17.72) =   0.945%  kept
          HB3   PRO   58 - HN    PHE   55   8.87 +/- 0.91   0.143% *  0.1506% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    PHE   55  10.17 +/- 0.98   0.069% *  0.1333% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.10 +/- 0.24   0.011% *  0.1657% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  15.12 +/- 2.06   0.006% *  0.1182% (0.35   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.67 +/- 1.01   0.014% *  0.0486% (0.14   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  22.05 +/- 3.53   0.001% *  0.1783% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  23.81 +/- 1.12   0.000% *  0.2732% (0.81   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  24.96 +/- 1.48   0.000% *  0.3087% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  16.90 +/- 0.67   0.003% *  0.0237% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.64 +/- 0.89   0.000% *  0.1182% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.59 +/- 0.83   0.000% *  0.1116% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.19 +/- 1.33   0.000% *  0.0577% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.61 +/- 0.54   0.000% *  0.0808% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  36.20 +/- 1.99   0.000% *  0.0870% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.532, support = 6.08, residual support = 43.6:
          HG2   GLN   30 - HN    LEU   31   4.87 +/- 0.25  56.751% * 75.7939% (0.49   7.16  50.02) =  80.660%  kept
          HB3   ASN   28 - HN    LEU   31   5.11 +/- 0.16  43.203% * 23.8719% (0.71   1.55  17.05) =  19.340%  kept
          QE    LYS+ 121 - HN    LEU   31  20.20 +/- 2.11   0.014% *  0.0544% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  18.13 +/- 1.80   0.027% *  0.0266% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  24.94 +/- 0.92   0.003% *  0.1032% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  28.27 +/- 0.82   0.001% *  0.1499% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.13 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.43, residual support = 50.0:
      O   HA    GLN   30 - HN    LEU   31   3.61 +/- 0.03  86.449% * 98.9089% (0.64  10.0   6.43  50.02) =  99.996%  kept
          HB2   CYS   53 - HN    PHE   55   5.12 +/- 0.16  10.700% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.62 +/- 0.12   2.276% *  0.0537% (0.35   1.0   0.02   0.02) =   0.001%
          HB    THR   39 - HN    LEU   31   9.85 +/- 0.77   0.237% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   31   9.70 +/- 0.42   0.237% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  13.76 +/- 0.99   0.032% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  17.17 +/- 1.84   0.010% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  15.07 +/- 1.06   0.018% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.00 +/- 1.17   0.030% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  18.80 +/- 0.81   0.005% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.42 +/- 0.74   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.25 +/- 0.44   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.50 +/- 0.80   0.002% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  27.11 +/- 0.88   0.000% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  26.49 +/- 1.60   0.001% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  27.08 +/- 0.95   0.000% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  27.36 +/- 0.79   0.000% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  30.21 +/- 0.58   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.34, residual support = 165.5:
      O   HA    ARG+  54 - HN    ARG+  54   2.72 +/- 0.02  99.900% * 99.0002% (0.61  10.0   6.34 165.53) = 100.000%  kept
          HA    LEU  115 - HN    ASP-  62  10.11 +/- 1.19   0.049% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ARG+  54  13.37 +/- 1.13   0.008% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.75 +/- 0.86   0.029% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.38 +/- 1.02   0.002% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.43 +/- 0.87   0.005% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  17.79 +/- 0.81   0.001% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.54 +/- 0.86   0.002% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  25.36 +/- 0.79   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.75 +/- 0.85   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  28.08 +/- 0.54   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  21.64 +/- 1.11   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.03 +/- 1.42   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  21.88 +/- 1.41   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  27.13 +/- 0.94   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.44 +/- 1.03   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  21.72 +/- 1.30   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  22.11 +/- 0.81   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 74.8:
      O   HB2   TRP   49 - HN    TRP   49   3.56 +/- 0.11  99.910% * 99.6106% (0.98  10.0   4.00  74.81) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  12.68 +/- 0.97   0.058% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  14.26 +/- 1.62   0.029% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.51 +/- 0.88   0.002% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.36 +/- 1.14   0.001% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 14.9:
          QB    ALA   47 - HE1   TRP   49   2.74 +/- 0.81  99.983% * 98.5650% (1.00   2.55  14.94) = 100.000%  kept
          QG1   VAL   42 - HE1   TRP   49  15.44 +/- 1.22   0.006% *  0.7486% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  15.83 +/- 2.15   0.008% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  16.93 +/- 1.32   0.004% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 14.9:
          QB    ALA   47 - HN    TRP   49   2.74 +/- 0.23  99.993% * 99.0219% (1.00   3.75  14.94) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.90 +/- 0.29   0.003% *  0.5103% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  17.94 +/- 1.93   0.002% *  0.3632% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.64 +/- 0.90   0.002% *  0.1046% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.855, support = 0.0369, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   3.58 +/- 0.42  98.074% * 10.8627% (0.90   0.02   0.02) =  91.623%  kept
          HD3   PRO   52 - HN    ALA   47   7.25 +/- 0.59   1.686% * 56.4274% (0.41   0.23   0.02) =   8.180%  kept
          HD2   PRO   58 - HN    ALA   47  10.34 +/- 0.84   0.209% *  9.6988% (0.80   0.02   0.02) =   0.174%
          HA    VAL   83 - HN    ALA   47  14.82 +/- 0.69   0.027% *  8.7954% (0.73   0.02   0.02) =   0.021%
          HA    GLN   30 - HN    ALA   47  21.48 +/- 0.84   0.003% *  5.8957% (0.49   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    ALA   47  25.69 +/- 0.67   0.001% *  8.3200% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 37.8:
      O   HB2   ASP-  44 - HN    ASP-  44   2.63 +/- 0.25  99.176% * 99.4473% (0.87  10.0   3.03  37.82) =  99.999%  kept
          HB3   PHE   72 - HN    ASP-  44   6.33 +/- 0.72   0.786% *  0.0876% (0.76   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  44  12.54 +/- 0.81   0.010% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  13.79 +/- 1.36   0.007% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.12 +/- 0.65   0.012% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  15.21 +/- 1.26   0.004% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  15.05 +/- 1.15   0.004% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  22.57 +/- 1.53   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.39 +/- 0.82   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 6.67:
          HB2   LEU   73 - HN    ASP-  44   4.97 +/- 0.82  93.673% * 95.6446% (0.87   2.72   6.68) =  99.971%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.44 +/- 0.74   1.048% *  0.7940% (0.98   0.02   0.02) =   0.009%
          QG1   ILE   56 - HN    ASP-  44  10.59 +/- 0.80   1.609% *  0.4913% (0.61   0.02   0.02) =   0.009%
          QD    LYS+  99 - HN    ASP-  44  14.00 +/- 0.62   0.274% *  0.8029% (0.99   0.02   0.02) =   0.002%
          HG3   PRO   93 - HN    ASP-  44  12.41 +/- 1.06   0.871% *  0.2500% (0.31   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    ASP-  44  10.41 +/- 0.62   1.612% *  0.1250% (0.15   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    ASP-  44  13.60 +/- 0.53   0.310% *  0.5882% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ASP-  44  13.44 +/- 0.70   0.328% *  0.3943% (0.49   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  18.78 +/- 1.13   0.051% *  0.4913% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  15.44 +/- 1.55   0.175% *  0.1419% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  18.60 +/- 0.92   0.049% *  0.2763% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 8 structures by 0.64 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.551, support = 1.25, residual support = 6.0:
          HB2   LYS+  74 - HN    ASP-  44   5.90 +/- 0.41  54.567% * 62.5132% (0.65   1.22   6.01) =  74.067%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.26 +/- 0.83  39.809% * 29.8152% (0.28   1.36   6.01) =  25.772%  kept
          QG2   THR   26 - HN    ASP-  44   9.53 +/- 0.46   3.520% *  1.4184% (0.90   0.02   0.02) =   0.108%
          HG2   LYS+  65 - HN    ASP-  44  12.68 +/- 1.24   0.777% *  1.4961% (0.95   0.02   0.02) =   0.025%
          QD    LYS+  66 - HN    ASP-  44  14.47 +/- 1.05   0.320% *  1.4184% (0.90   0.02   0.02) =   0.010%
          HD2   LYS+ 121 - HN    ASP-  44  15.39 +/- 1.27   0.214% *  1.5502% (0.98   0.02   0.02) =   0.007%
          HG    LEU  104 - HN    ASP-  44  13.37 +/- 0.93   0.459% *  0.6502% (0.41   0.02   0.02) =   0.006%
          HB3   LYS+ 121 - HN    ASP-  44  15.88 +/- 1.18   0.180% *  0.6502% (0.41   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HN    ASP-  44  16.22 +/- 1.18   0.154% *  0.4881% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.62 A violated in 9 structures by 0.78 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.71, residual support = 37.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.66 +/- 0.12  97.620% * 99.1884% (0.99  10.0   3.71  37.82) =  99.998%  kept
          HB2   LEU   63 - HN    ASP-  44   8.50 +/- 0.88   0.763% *  0.0947% (0.95   1.0   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ASP-  44   8.97 +/- 0.94   0.599% *  0.0947% (0.95   1.0   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    ASP-  44  10.04 +/- 1.04   0.276% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44   9.94 +/- 0.44   0.258% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44  10.29 +/- 0.89   0.233% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  12.14 +/- 0.53   0.077% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.50 +/- 0.77   0.113% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.00 +/- 0.66   0.022% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.19 +/- 1.25   0.007% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  17.80 +/- 1.23   0.008% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.15 +/- 1.06   0.010% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.71 +/- 0.45   0.006% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  18.30 +/- 1.04   0.007% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.17, residual support = 15.2:
          QG1   VAL   43 - HN    ASP-  44   4.19 +/- 0.26  81.644% * 97.7624% (0.90   4.17  15.26) =  99.887%  kept
          QG2   THR   46 - HN    ASP-  44   6.35 +/- 0.72   8.486% *  0.5177% (0.99   0.02   0.02) =   0.055%
          QG2   VAL   18 - HN    ASP-  44   6.87 +/- 1.07   6.974% *  0.5212% (1.00   0.02   0.02) =   0.045%
          QG1   VAL   41 - HN    ASP-  44   8.51 +/- 0.44   1.255% *  0.3793% (0.73   0.02   0.02) =   0.006%
          QD1   ILE   19 - HN    ASP-  44   9.11 +/- 0.71   0.970% *  0.3992% (0.76   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    ASP-  44  12.07 +/- 1.09   0.190% *  0.3168% (0.61   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ASP-  44  10.07 +/- 0.63   0.481% *  0.1034% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.3:
          QG2   VAL   43 - HN    ASP-  44   2.77 +/- 0.25  98.651% * 99.0026% (0.65   3.71  15.26) =  99.996%  kept
          QD2   LEU   31 - HN    ASP-  44   7.35 +/- 0.49   0.384% *  0.6309% (0.76   0.02   0.02) =   0.002%
          QG2   VAL   83 - HN    ASP-  44   7.06 +/- 0.73   0.457% *  0.2548% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    ASP-  44   6.94 +/- 0.53   0.508% *  0.1117% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.519, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.38 +/- 0.09  92.941% * 36.5033% (0.53   0.02   0.02) =  95.164%  kept
          HA    THR   23 - HN    VAL   43  13.61 +/- 1.37   6.030% * 21.4145% (0.31   0.02   0.02) =   3.622%  kept
          HA    ASP-  78 - HN    VAL   43  17.79 +/- 0.42   1.028% * 42.0822% (0.61   0.02   0.02) =   1.214%  kept
    Distance limit 4.52 A violated in 20 structures by 3.76 A, eliminated.
    Peak unassigned.
 
    Peak 1011 (5.33, 9.16, 125.94 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.5, residual support = 16.4:
          HA    MET   96 - HN    VAL   43   4.78 +/- 0.21 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.52 A violated in 0 structures by 0.28 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 16.4:
          HB2   MET   96 - HN    VAL   43   3.46 +/- 0.54  99.096% * 97.4132% (0.97   2.96  16.41) =  99.996%  kept
          HB    VAL   70 - HN    VAL   43   9.35 +/- 0.45   0.339% *  0.6123% (0.90   0.02   0.02) =   0.002%
          HB2   ASP- 105 - HN    VAL   43   9.25 +/- 0.76   0.418% *  0.1898% (0.28   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    VAL   43  13.17 +/- 0.64   0.050% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.34 +/- 0.94   0.049% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.35 +/- 0.62   0.035% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  16.70 +/- 0.64   0.012% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 60.1:
      O   HB    VAL   43 - HN    VAL   43   2.66 +/- 0.27  99.922% * 99.7821% (0.87  10.0   4.24  60.06) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43   9.61 +/- 0.62   0.057% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  11.99 +/- 0.76   0.015% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  17.21 +/- 0.85   0.002% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.64 +/- 0.63   0.004% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.793, support = 5.02, residual support = 34.7:
          HB    VAL   42 - HN    VAL   43   4.44 +/- 0.16  42.367% * 72.0367% (0.84   5.48  38.91) =  88.742%  kept
          HG    LEU   98 - HN    VAL   43   5.07 +/- 0.92  26.212% * 11.3012% (0.49   1.48   0.38) =   8.613%  kept
          QB    LEU   98 - HN    VAL   43   5.22 +/- 0.62  19.998% *  1.9471% (0.18   0.71   0.38) =   1.132%  kept
          HB3   ASP-  44 - HN    VAL   43   6.74 +/- 0.26   3.650% *  8.7229% (0.25   2.22  15.26) =   0.926%  kept
          HB3   LEU   73 - HN    VAL   43   6.76 +/- 0.84   5.033% *  3.8960% (0.90   0.28   7.61) =   0.570%  kept
          HG3   LYS+ 106 - HN    VAL   43   8.26 +/- 0.73   1.261% *  0.3138% (1.00   0.02   0.02) =   0.012%
          HB2   LEU   63 - HN    VAL   43   8.55 +/- 0.75   1.020% *  0.0551% (0.18   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    VAL   43  11.90 +/- 0.85   0.133% *  0.2035% (0.65   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    VAL   43  11.72 +/- 0.64   0.137% *  0.1908% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.07 +/- 0.98   0.072% *  0.2903% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    VAL   43  13.89 +/- 0.54   0.048% *  0.2404% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  14.91 +/- 0.78   0.032% *  0.2627% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.63 +/- 0.77   0.008% *  0.3035% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.23 +/- 1.31   0.021% *  0.1180% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  18.99 +/- 1.43   0.009% *  0.1180% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 5.09, residual support = 60.1:
          QG1   VAL   43 - HN    VAL   43   2.40 +/- 0.44  99.138% * 98.1569% (0.90   5.09  60.06) =  99.997%  kept
          QG1   VAL   41 - HN    VAL   43   6.25 +/- 0.39   0.560% *  0.3124% (0.73   0.02   1.68) =   0.002%
          QG2   VAL   18 - HN    VAL   43   9.09 +/- 0.75   0.068% *  0.4293% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   8.43 +/- 1.09   0.094% *  0.2610% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43   9.80 +/- 0.79   0.042% *  0.4265% (0.99   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.20 +/- 0.86   0.029% *  0.3288% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.01 +/- 0.75   0.069% *  0.0851% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 1.9, residual support = 1.53:
          QG2   VAL   41 - HN    VAL   43   4.56 +/- 0.63  23.189% * 85.0469% (0.73   2.29   1.68) =  81.270%  kept
          QD2   LEU   98 - HN    VAL   43   3.74 +/- 1.01  63.792% *  6.5594% (0.53   0.24   0.38) =  17.243%  kept
          QD1   LEU   73 - HN    VAL   43   5.70 +/- 0.43   5.142% *  6.0535% (0.45   0.26   7.61) =   1.283%  kept
          QD2   LEU   63 - HN    VAL   43   7.04 +/- 0.94   2.623% *  1.0043% (0.98   0.02   0.02) =   0.109%
          QD1   LEU   63 - HN    VAL   43   6.19 +/- 0.58   4.767% *  0.4593% (0.45   0.02   0.02) =   0.090%
          QD1   LEU   80 - HN    VAL   43  10.85 +/- 1.46   0.152% *  0.5390% (0.53   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    VAL   43  10.09 +/- 1.89   0.244% *  0.1581% (0.15   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    VAL   43  11.68 +/- 1.55   0.091% *  0.1794% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.13, residual support = 38.9:
          QG1   VAL   42 - HN    VAL   43   2.81 +/- 0.28  99.776% * 99.2455% (0.97   5.13  38.91) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   7.98 +/- 0.46   0.212% *  0.0793% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.20 +/- 0.21   0.011% *  0.3999% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  17.97 +/- 1.29   0.002% *  0.2753% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.823, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.43 +/- 0.49  60.919% * 27.6841% (0.73   0.02   0.02) =  54.702%  kept
          QD1   ILE   89 - HN    VAL   43   7.60 +/- 0.60  23.744% * 34.1913% (0.90   0.02   0.02) =  26.333%  kept
          QG2   VAL   83 - HN    VAL   43   8.36 +/- 0.91  15.337% * 38.1246% (1.00   0.02   0.02) =  18.965%  kept
    Distance limit 4.00 A violated in 20 structures by 1.87 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.932, support = 5.22, residual support = 23.2:
          HB    VAL   41 - HN    VAL   42   4.12 +/- 0.33  69.476% * 88.1338% (0.97   5.34  24.20) =  95.537%  kept
          HB2   LEU   71 - HN    VAL   42   4.91 +/- 0.56  28.640% *  9.9726% (0.22   2.62   2.39) =   4.456%  kept
          HG12  ILE  103 - HN    VAL   42   9.35 +/- 1.70   0.717% *  0.3421% (1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    VAL   42  10.25 +/- 0.89   0.322% *  0.2857% (0.84   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   42  11.00 +/- 0.43   0.199% *  0.1167% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  11.18 +/- 1.06   0.223% *  0.0528% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  11.73 +/- 0.48   0.138% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.74 +/- 0.85   0.146% *  0.0677% (0.20   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  15.85 +/- 1.48   0.027% *  0.3068% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.77 +/- 0.99   0.094% *  0.0762% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  17.49 +/- 1.03   0.013% *  0.1937% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  21.85 +/- 0.73   0.003% *  0.3068% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  21.46 +/- 0.84   0.004% *  0.0599% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.49, residual support = 88.5:
      O   HB    VAL   42 - HN    VAL   42   2.38 +/- 0.19  98.152% * 99.1706% (0.98  10.0   5.49  88.48) =  99.999%  kept
          QB    LEU   98 - HN    VAL   42   5.49 +/- 0.59   1.104% *  0.0573% (0.57   1.0   0.02   0.80) =   0.001%
          HB3   LEU   73 - HN    VAL   42   6.23 +/- 0.72   0.415% *  0.0957% (0.95   1.0   0.02   1.36) =   0.000%
          HG    LEU   98 - HN    VAL   42   6.79 +/- 0.77   0.269% *  0.0137% (0.14   1.0   0.02   0.80) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  10.57 +/- 0.42   0.015% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.64 +/- 0.72   0.008% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.18 +/- 0.66   0.019% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  13.35 +/- 0.77   0.004% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.41 +/- 0.70   0.003% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  15.81 +/- 1.45   0.002% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  14.12 +/- 1.83   0.004% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  14.52 +/- 0.54   0.002% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  14.62 +/- 0.83   0.002% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  15.31 +/- 0.93   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  21.13 +/- 0.91   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.977, support = 0.971, residual support = 1.3:
          QD1   LEU   40 - HN    VAL   42   4.89 +/- 0.52  84.339% * 97.3739% (0.98   0.97   1.30) =  99.690%  kept
          QD2   LEU   67 - HN    VAL   42   7.42 +/- 1.32  15.537% *  1.6333% (0.80   0.02   0.02) =   0.308%
          QG1   VAL  108 - HN    VAL   42  14.68 +/- 0.56   0.124% *  0.9928% (0.49   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 2 structures by 0.49 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.809, support = 4.82, residual support = 31.4:
          QG1   VAL   41 - HN    VAL   42   4.16 +/- 0.31  48.694% * 49.7796% (0.73   5.34  24.20) =  51.241%  kept
          QG1   VAL   43 - HN    VAL   42   4.19 +/- 0.29  46.764% * 49.3068% (0.90   4.28  38.91) =  48.742%  kept
          QD1   ILE   19 - HN    VAL   42   7.61 +/- 1.01   1.831% *  0.1962% (0.76   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    VAL   42   8.16 +/- 0.53   0.923% *  0.2562% (1.00   0.02   0.02) =   0.005%
          QD2   LEU  104 - HN    VAL   42   8.83 +/- 1.12   0.728% *  0.1557% (0.61   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   42   8.41 +/- 1.06   0.944% *  0.0508% (0.20   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.56 +/- 0.81   0.115% *  0.2545% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 5.98, residual support = 24.0:
          QG2   VAL   41 - HN    VAL   42   3.09 +/- 0.64  76.184% * 92.8589% (0.73   6.03  24.20) =  99.128%  kept
          QD1   LEU   73 - HN    VAL   42   4.65 +/- 0.65  13.936% *  2.2995% (0.45   0.24   1.36) =   0.449%
          QD2   LEU   98 - HN    VAL   42   5.04 +/- 0.92   7.605% *  3.8731% (0.53   0.35   0.80) =   0.413%
          QD2   LEU   63 - HN    VAL   42   7.22 +/- 1.18   1.362% *  0.4156% (0.98   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    VAL   42   7.19 +/- 0.80   0.798% *  0.1901% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    VAL   42  12.16 +/- 1.18   0.037% *  0.2231% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.39 +/- 1.79   0.059% *  0.0654% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  13.25 +/- 1.59   0.018% *  0.0743% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 2 structures by 0.15 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 88.5:
          QG1   VAL   42 - HN    VAL   42   3.58 +/- 0.16  99.983% * 99.2617% (0.87   5.46  88.48) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.86 +/- 0.18   0.014% *  0.3202% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  20.32 +/- 1.30   0.003% *  0.4181% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.593, support = 5.28, residual support = 86.0:
          QG2   VAL   42 - HN    VAL   42   3.10 +/- 0.25  64.509% * 94.7652% (0.61   5.39  88.48) =  97.211%  kept
          QG2   VAL   70 - HN    VAL   42   3.49 +/- 0.38  35.239% *  4.9749% (0.14   1.27   1.23) =   2.788%  kept
          QG2   VAL   75 - HN    VAL   42   8.02 +/- 0.41   0.252% *  0.2599% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.37, residual support = 73.8:
      O   HB    VAL   41 - HN    VAL   41   2.92 +/- 0.45  96.351% * 99.3523% (0.90  10.0   4.37  73.84) =  99.997%  kept
          HB2   LEU   71 - HN    VAL   41   5.98 +/- 0.82   2.619% *  0.0672% (0.61   1.0   0.02   2.75) =   0.002%
          HG12  ILE  103 - HN    VAL   41   7.74 +/- 1.29   0.514% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   41   7.78 +/- 0.76   0.453% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  11.96 +/- 0.91   0.040% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  14.42 +/- 0.42   0.010% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  16.60 +/- 1.74   0.004% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  20.20 +/- 0.98   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  15.26 +/- 1.16   0.007% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  24.76 +/- 0.69   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.174, support = 3.77, residual support = 18.8:
          HG    LEU   40 - HN    VAL   41   3.22 +/- 0.57  97.983% * 64.5695% (0.18   3.78  18.90) =  99.574%  kept
          HG    LEU   73 - HN    VAL   41   7.69 +/- 1.17   1.229% * 21.1047% (0.61   0.36   0.02) =   0.408%
          HB3   LEU   67 - HN    VAL   41   9.43 +/- 1.19   0.297% *  1.8436% (0.95   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HN    VAL   41   9.34 +/- 0.78   0.254% *  0.9486% (0.49   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    VAL   41  11.97 +/- 1.95   0.091% *  1.7478% (0.90   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    VAL   41  13.59 +/- 1.04   0.032% *  1.5606% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.06 +/- 0.62   0.022% *  1.9446% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  13.39 +/- 2.31   0.045% *  0.6648% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   41  16.86 +/- 1.27   0.007% *  1.8808% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  14.17 +/- 0.73   0.020% *  0.6015% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  18.42 +/- 0.55   0.004% *  1.8436% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  17.21 +/- 0.90   0.006% *  0.9486% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  16.79 +/- 0.92   0.009% *  0.3413% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.84, support = 1.47, residual support = 8.46:
          QB    ALA   34 - HN    VAL   41   4.39 +/- 0.25  74.637% * 73.8481% (0.90   1.47   9.31) =  90.749%  kept
          QG2   THR   39 - HN    VAL   41   5.38 +/- 0.44  24.314% * 23.0834% (0.28   1.48   0.13) =   9.241%  kept
          HG3   LYS+  38 - HN    VAL   41   9.50 +/- 0.99   0.915% *  0.5883% (0.53   0.02   0.02) =   0.009%
          QG2   ILE   56 - HN    VAL   41  14.98 +/- 0.96   0.052% *  0.8120% (0.73   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   41  15.93 +/- 0.71   0.033% *  1.1083% (0.99   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    VAL   41  15.57 +/- 0.61   0.039% *  0.2490% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  19.37 +/- 1.13   0.011% *  0.3109% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.49, residual support = 18.9:
          QD2   LEU   40 - HN    VAL   41   2.53 +/- 0.48  99.120% * 97.7397% (0.92   4.49  18.90) =  99.997%  kept
          QD1   LEU   67 - HN    VAL   41   7.57 +/- 0.94   0.291% *  0.4464% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    VAL   41   7.70 +/- 0.77   0.254% *  0.3053% (0.65   0.02   2.75) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.21 +/- 0.40   0.136% *  0.4677% (0.99   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.02 +/- 0.77   0.175% *  0.2483% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  12.07 +/- 1.29   0.013% *  0.1610% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  15.15 +/- 0.86   0.004% *  0.4708% (1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.28 +/- 0.62   0.007% *  0.1610% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 73.8:
          QG1   VAL   41 - HN    VAL   41   2.48 +/- 0.48  96.754% * 98.1826% (1.00   4.47  73.84) =  99.992%  kept
          QG1   VAL   43 - HN    VAL   41   5.70 +/- 0.42   1.245% *  0.4151% (0.95   0.02   1.68) =   0.005%
          QD2   LEU   73 - HN    VAL   41   6.54 +/- 0.53   0.572% *  0.1968% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   41   6.27 +/- 1.00   1.254% *  0.0869% (0.20   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   41   8.52 +/- 0.97   0.111% *  0.2662% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  10.02 +/- 1.10   0.043% *  0.1355% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.57 +/- 0.48   0.016% *  0.3354% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.78 +/- 0.89   0.004% *  0.2839% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  16.62 +/- 0.82   0.002% *  0.0977% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.712, support = 4.18, residual support = 70.4:
          QG2   VAL   41 - HN    VAL   41   3.43 +/- 0.69  74.295% * 79.0080% (0.73   4.37  73.84) =  93.109%  kept
          QD2   LEU   98 - HN    VAL   41   4.45 +/- 0.68  22.083% * 19.6325% (0.53   1.50  24.13) =   6.877%  kept
          QD1   LEU   73 - HN    VAL   41   6.43 +/- 0.80   2.827% *  0.2231% (0.45   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    VAL   41   8.96 +/- 1.19   0.401% *  0.4877% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   41   9.29 +/- 0.82   0.321% *  0.2231% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  14.44 +/- 1.27   0.020% *  0.2618% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  13.44 +/- 1.85   0.033% *  0.0768% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  14.96 +/- 1.53   0.020% *  0.0871% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 2.72, residual support = 2.72:
          QG2   VAL   70 - HN    VAL   41   4.11 +/- 0.25  99.448% * 98.4499% (0.18   2.72   2.72) =  99.991%  kept
          QG2   THR  118 - HN    VAL   41   9.93 +/- 0.58   0.552% *  1.5501% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.315, support = 1.54, residual support = 30.9:
          HA    VAL   70 - HN    LEU   40   3.56 +/- 0.57  95.928% * 38.0440% (0.28   1.58  32.71) =  94.311%  kept
          HB2   SER   37 - HN    LEU   40   6.55 +/- 0.41   3.671% * 59.7830% (0.92   0.75   0.02) =   5.672%  kept
          HA1   GLY   16 - HN    LEU   40  10.50 +/- 2.41   0.394% *  1.6928% (0.98   0.02   0.02) =   0.017%
          HA    GLN  116 - HN    LEU   40  18.75 +/- 1.11   0.007% *  0.4802% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.93, residual support = 23.7:
          HB    THR   39 - HN    LEU   40   3.89 +/- 0.20  96.416% * 94.9844% (0.41   3.93  23.70) =  99.986%  kept
          HB3   SER   37 - HN    LEU   40   6.88 +/- 0.37   3.415% *  0.3273% (0.28   0.02   0.02) =   0.012%
          HA    GLN   30 - HN    LEU   40  12.10 +/- 0.67   0.124% *  1.1135% (0.95   0.02   0.02) =   0.002%
          QB    SER   13 - HN    LEU   40  14.90 +/- 1.27   0.038% *  0.5277% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  23.31 +/- 1.22   0.002% *  0.8996% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  24.01 +/- 0.64   0.002% *  0.6664% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  22.74 +/- 0.69   0.003% *  0.3273% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  29.12 +/- 0.59   0.001% *  1.1538% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.554, support = 0.753, residual support = 12.4:
          QE    LYS+  99 - HN    LEU   40   4.28 +/- 0.58  92.859% * 53.1411% (0.57   0.74  13.07) =  95.180%  kept
          QE    LYS+  38 - HN    LEU   40   8.35 +/- 1.48   6.344% * 39.1552% (0.31   1.00   0.02) =   4.791%  kept
          HB2   PHE   97 - HN    LEU   40  10.64 +/- 0.83   0.476% *  2.4447% (0.97   0.02   0.73) =   0.022%
          HB3   TRP   27 - HN    LEU   40  15.30 +/- 1.14   0.057% *  2.4831% (0.98   0.02   0.02) =   0.003%
          QE    LYS+ 106 - HN    LEU   40  15.12 +/- 1.23   0.059% *  1.4342% (0.57   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HN    LEU   40  12.46 +/- 0.90   0.172% *  0.3909% (0.15   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  16.72 +/- 1.20   0.032% *  0.9507% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.75, residual support = 101.9:
      O   HB2   LEU   40 - HN    LEU   40   2.29 +/- 0.22  99.993% * 99.7221% (0.97  10.0   4.75 101.91) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  14.02 +/- 0.71   0.002% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  14.32 +/- 1.77   0.002% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.40 +/- 1.19   0.002% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  20.91 +/- 3.04   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  27.83 +/- 0.71   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.615, support = 4.88, residual support = 101.9:
      O   HB3   LEU   40 - HN    LEU   40   2.63 +/- 0.22  93.708% * 68.9644% (0.61  10.0   4.86 101.91) =  97.306%  kept
          HG    LEU   40 - HN    LEU   40   4.29 +/- 0.19   5.873% * 30.4647% (0.92   1.0   5.80 101.91) =   2.694%  kept
          HG    LEU   67 - HN    LEU   40   8.79 +/- 1.17   0.117% *  0.1115% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   7.97 +/- 1.54   0.241% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  10.24 +/- 0.90   0.032% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  11.63 +/- 1.50   0.016% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  14.83 +/- 1.08   0.004% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.75 +/- 1.16   0.009% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  18.96 +/- 1.12   0.001% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.62 +/- 1.45   0.001% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.309, support = 3.6, residual support = 22.5:
          QG2   THR   39 - HN    LEU   40   2.72 +/- 0.56  96.234% * 39.6030% (0.28   3.70  23.70) =  94.975%  kept
          QB    ALA   34 - HN    LEU   40   5.29 +/- 0.34   3.458% * 58.2826% (0.90   1.69   0.02) =   5.022%  kept
          HG3   LYS+  38 - HN    LEU   40   7.98 +/- 0.95   0.300% *  0.4054% (0.53   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    LEU   40  17.02 +/- 0.98   0.003% *  0.5595% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  18.14 +/- 0.72   0.002% *  0.7637% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.69 +/- 0.46   0.002% *  0.1715% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  22.67 +/- 1.15   0.001% *  0.2142% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.854, support = 1.39, residual support = 28.4:
          QG1   VAL   70 - HN    LEU   40   4.07 +/- 0.93  77.324% * 63.0985% (0.84   1.50  32.71) =  86.846%  kept
          QD1   LEU   71 - HN    LEU   40   5.78 +/- 1.08  21.712% * 34.0019% (0.98   0.69   0.02) =  13.141%  kept
          HB3   LEU  104 - HN    LEU   40  10.91 +/- 0.84   0.319% *  0.9298% (0.92   0.02   0.02) =   0.005%
          QD1   LEU  123 - HN    LEU   40  11.92 +/- 1.54   0.208% *  0.9873% (0.98   0.02   0.02) =   0.004%
          QG1   VAL   18 - HN    LEU   40  11.87 +/- 0.96   0.223% *  0.7314% (0.73   0.02   0.02) =   0.003%
          HB3   LEU   63 - HN    LEU   40  11.37 +/- 1.03   0.214% *  0.2512% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 1 structures by 0.20 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.535, support = 4.82, residual support = 99.8:
          QD2   LEU   40 - HN    LEU   40   4.09 +/- 0.21  89.367% * 69.6871% (0.53   4.90 101.91) =  97.892%  kept
          QD2   LEU   71 - HN    LEU   40   6.81 +/- 0.59   4.673% * 28.2893% (0.98   1.07   0.02) =   2.078%  kept
          QD1   LEU   67 - HN    LEU   40   7.05 +/- 1.09   5.390% *  0.3062% (0.57   0.02   0.02) =   0.026%
          QD1   ILE  103 - HN    LEU   40  11.53 +/- 0.61   0.200% *  0.4993% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.33 +/- 0.41   0.213% *  0.3715% (0.69   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    LEU   40  12.39 +/- 1.24   0.139% *  0.4134% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.15 +/- 0.94   0.018% *  0.4331% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.06, residual support = 32.7:
          QG2   VAL   70 - HN    LEU   40   3.53 +/- 0.35 100.000% *100.0000% (0.57   6.06  32.71) = 100.000%  kept
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.234, support = 1.82, residual support = 6.5:
          HA    ALA   34 - HN    THR   39   2.79 +/- 0.29  99.366% * 22.4735% (0.22   1.82   6.64) =  97.996%  kept
          HA    GLU-  36 - HN    THR   39   6.63 +/- 0.07   0.620% * 73.6778% (0.80   1.66   0.02) =   2.003%  kept
          HA    ASN   28 - HN    THR   39  12.74 +/- 0.43   0.012% *  0.4157% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  18.56 +/- 2.25   0.002% *  1.0688% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  25.28 +/- 0.77   0.000% *  0.9932% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  22.15 +/- 0.76   0.000% *  0.3778% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  28.46 +/- 0.83   0.000% *  0.9932% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.859, support = 2.68, residual support = 5.63:
          HA    SER   37 - HN    THR   39   4.22 +/- 0.09  83.174% * 51.3975% (0.90   2.58   2.45) =  85.005%  kept
          HA    LEU   40 - HN    THR   39   5.55 +/- 0.05  16.200% * 46.5383% (0.65   3.24  23.70) =  14.991%  kept
          HA    GLU-  15 - HN    THR   39  11.86 +/- 1.72   0.259% *  0.3704% (0.84   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    THR   39  11.07 +/- 0.13   0.258% *  0.1513% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  15.11 +/- 1.89   0.058% *  0.3704% (0.84   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   39  15.34 +/- 1.60   0.046% *  0.3977% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.43 +/- 0.24   0.003% *  0.4195% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.51 +/- 0.99   0.003% *  0.3551% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 3.68, residual support = 37.0:
      O   HB    THR   39 - HN    THR   39   2.57 +/- 0.18  62.719% * 92.7790% (0.41  10.0   3.75  38.37) =  96.110%  kept
          HB3   SER   37 - HN    THR   39   2.87 +/- 0.34  37.256% *  6.3221% (0.28   1.0   2.02   2.45) =   3.890%  kept
          HA    GLN   30 - HN    THR   39   9.74 +/- 0.51   0.022% *  0.2135% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  14.80 +/- 1.62   0.002% *  0.1012% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  22.75 +/- 1.13   0.000% *  0.1725% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.67 +/- 0.61   0.000% *  0.1278% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  24.47 +/- 0.74   0.000% *  0.0627% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.79 +/- 0.61   0.000% *  0.2212% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.694, support = 3.47, residual support = 25.8:
          QG2   THR   39 - HN    THR   39   3.25 +/- 0.60  60.779% * 20.4952% (0.49   3.63  38.37) =  53.044%  kept
          QB    ALA   34 - HN    THR   39   3.66 +/- 0.16  33.205% * 23.1549% (1.00   2.00   6.64) =  32.739%  kept
          HG3   LYS+  38 - HN    THR   39   5.25 +/- 0.55   5.986% * 55.7754% (0.76   6.29  22.87) =  14.217%  kept
          HG13  ILE   19 - HN    THR   39  12.65 +/- 1.08   0.025% *  0.0459% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  17.28 +/- 0.65   0.003% *  0.2013% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  19.80 +/- 0.93   0.001% *  0.2142% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  24.50 +/- 1.04   0.000% *  0.1130% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.55, residual support = 217.8:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.01  99.366% * 99.7734% (0.80  10.0   6.55 217.82) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   5.46 +/- 0.74   0.634% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.50 +/- 0.69   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  20.84 +/- 0.85   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.50 +/- 0.81   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 217.8:
      O   HB2   LYS+  38 - HN    LYS+  38   3.16 +/- 0.15  99.922% * 99.7624% (1.00  10.0   5.63 217.82) = 100.000%  kept
          HB    VAL   70 - HN    LYS+  38  12.00 +/- 0.71   0.038% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  13.19 +/- 0.58   0.020% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  15.17 +/- 0.59   0.009% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  15.84 +/- 1.88   0.009% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.93 +/- 0.47   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.97 +/- 0.85   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 217.8:
      O   HB3   LYS+  38 - HN    LYS+  38   4.02 +/- 0.09  93.494% * 99.4497% (0.90  10.0   5.20 217.82) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.38 +/- 0.36   6.271% *  0.0219% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    LYS+  38  11.28 +/- 0.56   0.202% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  18.04 +/- 0.57   0.012% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  20.26 +/- 3.66   0.016% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  27.90 +/- 1.07   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  27.80 +/- 0.62   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  29.81 +/- 0.97   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.52 +/- 0.64   0.002% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  29.77 +/- 1.11   0.001% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 217.8:
          HG2   LYS+  38 - HN    LYS+  38   3.32 +/- 0.25  99.462% * 98.4035% (0.65   5.86 217.82) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.87 +/- 0.50   0.347% *  0.2733% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.61 +/- 0.22   0.183% *  0.1157% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.92 +/- 0.72   0.002% *  0.4914% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  22.29 +/- 1.10   0.001% *  0.4914% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  17.65 +/- 0.73   0.005% *  0.0802% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.65 +/- 1.68   0.000% *  0.1444% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.43, residual support = 26.3:
      O   HB3   SER   37 - HN    SER   37   2.54 +/- 0.24  98.192% * 99.5080% (0.99  10.0   3.43  26.27) =  99.998%  kept
          HB    THR   39 - HN    SER   37   5.18 +/- 0.27   1.737% *  0.0995% (0.99   1.0   0.02   2.45) =   0.002%
          HA    GLN   30 - HN    SER   37   8.84 +/- 0.35   0.067% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  15.32 +/- 1.93   0.003% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  22.65 +/- 0.99   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.46 +/- 0.68   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  25.96 +/- 0.79   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.77 +/- 0.75   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 19.1:
          QB    GLU-  36 - HN    SER   37   3.35 +/- 0.21  99.266% * 98.3050% (1.00   3.72  19.09) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.21 +/- 0.90   0.655% *  0.0926% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.87 +/- 0.68   0.056% *  0.4584% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.94 +/- 0.64   0.021% *  0.2572% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  23.75 +/- 0.88   0.001% *  0.5238% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  30.17 +/- 0.87   0.000% *  0.3630% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.1, residual support = 12.8:
          HG2   LYS+  38 - HN    SER   37   4.86 +/- 0.14  98.857% * 97.0518% (0.38   4.10  12.81) =  99.996%  kept
          HG2   LYS+  99 - HN    SER   37  10.47 +/- 0.51   1.058% *  0.3508% (0.28   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    SER   37  16.90 +/- 0.77   0.058% *  0.4304% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    SER   37  20.92 +/- 0.75   0.016% *  1.2507% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  22.75 +/- 1.05   0.010% *  0.9163% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 51.9:
          HB2   ASN   35 - HN    GLU-  36   3.50 +/- 0.13  95.449% * 97.9497% (0.65   6.05  51.93) =  99.979%  kept
          QE    LYS+  33 - HN    GLU-  36   6.17 +/- 0.75   4.481% *  0.4340% (0.87   0.02   0.02) =   0.021%
          HB2   ASN   28 - HN    GLU-  36  11.95 +/- 0.43   0.065% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  19.91 +/- 1.24   0.003% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  21.69 +/- 1.68   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  27.14 +/- 0.86   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 86.8:
          HG2   GLU-  36 - HN    GLU-  36   3.59 +/- 0.51  99.989% * 99.4355% (0.97   4.86  86.78) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.68 +/- 1.01   0.010% *  0.3398% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.76 +/- 0.82   0.001% *  0.1593% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  30.60 +/- 1.52   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.8:
      O   QB    GLU-  36 - HN    GLU-  36   2.12 +/- 0.07  99.973% * 99.6951% (0.90  10.0   7.31  86.78) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.57 +/- 1.02   0.015% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36  10.26 +/- 0.60   0.008% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  12.19 +/- 0.58   0.003% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  22.84 +/- 0.91   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.92 +/- 0.43   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  29.57 +/- 0.96   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.86, residual support = 86.8:
          HG3   GLU-  36 - HN    GLU-  36   4.08 +/- 0.08  99.571% * 97.3251% (0.65   4.86  86.78) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  12.51 +/- 2.91   0.286% *  0.2778% (0.45   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  36  17.36 +/- 3.02   0.035% *  0.5557% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  15.12 +/- 2.19   0.056% *  0.1912% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.48 +/- 0.54   0.034% *  0.1545% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  19.03 +/- 0.72   0.010% *  0.2113% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.94 +/- 0.79   0.003% *  0.3016% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.59 +/- 1.31   0.002% *  0.3508% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  24.77 +/- 0.79   0.002% *  0.1226% (0.20   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  31.33 +/- 1.19   0.001% *  0.4008% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  33.21 +/- 1.17   0.000% *  0.1085% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.221, support = 0.02, residual support = 0.02:
          HA2   GLY  101 - HD22  ASN   35   6.34 +/- 1.79  97.630% * 14.8773% (0.20   0.02   0.02) =  93.506%  kept
          HB2   TRP   27 - HD22  ASN   35  13.52 +/- 1.31   2.339% * 42.5614% (0.57   0.02   0.02) =   6.409%  kept
          HD2   PRO   93 - HD22  ASN   35  27.63 +/- 1.31   0.031% * 42.5614% (0.57   0.02   0.02) =   0.085%
    Distance limit 4.79 A violated in 12 structures by 1.70 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD22  ASN   35   3.73 +/- 0.25  99.465% * 99.5004% (0.76  10.0   3.60  55.47) =  99.999%  kept
          QE    LYS+  33 - HD22  ASN   35  10.45 +/- 0.75   0.281% *  0.0995% (0.76   1.0   0.02   1.43) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  11.01 +/- 1.12   0.231% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  16.35 +/- 1.78   0.020% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.14 +/- 1.65   0.002% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  26.45 +/- 1.75   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 1.57, residual support = 5.75:
          HA    GLN   32 - HD21  ASN   35   3.51 +/- 0.70  97.021% * 53.6611% (0.76   1.58   5.83) =  98.154%  kept
          HA    LYS+  33 - HD21  ASN   35   6.74 +/- 0.69   2.362% * 41.2579% (0.69   1.35   1.43) =   1.837%  kept
          HA    GLU-  29 - HD21  ASN   35   8.49 +/- 0.74   0.559% *  0.7435% (0.83   0.02   0.02) =   0.008%
          HA    VAL   70 - HD21  ASN   35  13.85 +/- 0.84   0.041% *  0.3341% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  18.18 +/- 1.18   0.008% *  0.7721% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  19.27 +/- 1.18   0.005% *  0.8216% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  22.66 +/- 1.46   0.002% *  0.7127% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  28.58 +/- 1.48   0.000% *  0.8590% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  27.45 +/- 1.33   0.001% *  0.3341% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  30.92 +/- 1.15   0.000% *  0.5039% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.6, residual support = 55.5:
      O   HB2   ASN   35 - HD21  ASN   35   2.72 +/- 0.52  99.718% * 99.3188% (0.61  10.0   3.60  55.47) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.19 +/- 0.83   0.191% *  0.1469% (0.90   1.0   0.02   1.43) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  10.04 +/- 0.70   0.086% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  16.44 +/- 1.47   0.004% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  23.52 +/- 1.67   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  25.81 +/- 1.39   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.645, support = 4.09, residual support = 44.0:
      O   HA    GLN   32 - HN    GLN   32   2.72 +/- 0.01  81.101% * 97.7645% (0.65  10.0   4.10  44.10) =  99.698%  kept
          HA    GLU-  29 - HN    GLN   32   3.52 +/- 0.11  17.421% *  1.3692% (0.92   1.0   0.20   0.02) =   0.300%
          HA    LYS+  33 - HN    GLN   32   5.31 +/- 0.03   1.466% *  0.1210% (0.80   1.0   0.02  10.96) =   0.002%
          HA    VAL   70 - HN    GLN   32  13.35 +/- 0.71   0.006% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN   32  14.93 +/- 0.70   0.003% *  0.1430% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  16.25 +/- 1.17   0.002% *  0.1481% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  21.33 +/- 1.21   0.000% *  0.1038% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.78 +/- 0.97   0.000% *  0.1355% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  26.94 +/- 0.99   0.000% *  0.0736% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.13 +/- 0.83   0.000% *  0.0678% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.58, residual support = 149.0:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.01  96.159% * 99.4322% (0.87  10.0   5.58 149.00) =  99.997%  kept
          HA    GLU-  29 - HN    LYS+  33   5.12 +/- 0.46   3.556% *  0.0832% (0.73   1.0   0.02   0.02) =   0.003%
          HB2   SER   37 - HN    LYS+  33   7.94 +/- 0.57   0.247% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  11.69 +/- 0.71   0.023% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  14.04 +/- 0.76   0.007% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  15.77 +/- 2.56   0.006% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  18.63 +/- 1.13   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  26.61 +/- 0.95   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.82 +/- 1.00   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.414, support = 3.72, residual support = 23.2:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.00  30.916% * 72.6705% (0.18  10.0   5.10  34.58) =  66.163%  kept
          HA    THR   26 - HN    GLU-  29   3.32 +/- 0.16  54.399% * 19.2582% (0.95   1.0   0.98   1.16) =  30.852%  kept
          HA    GLU-  25 - HN    GLU-  29   4.17 +/- 0.24  14.617% *  6.9351% (0.22   1.0   1.50   0.02) =   2.985%  kept
          HA    ALA   34 - HN    GLU-  29  11.19 +/- 0.26   0.037% *  0.1281% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.80 +/- 0.58   0.017% *  0.1706% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  14.24 +/- 1.75   0.012% *  0.2020% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  24.45 +/- 0.76   0.000% *  0.2850% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  29.08 +/- 1.02   0.000% *  0.2684% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.45 +/- 0.74   0.000% *  0.0821% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.9, residual support = 94.5:
      O   HB2   ASN   28 - HD22  ASN   28   3.71 +/- 0.30  99.066% * 99.6000% (0.95  10.0   3.90  94.49) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28   8.80 +/- 0.55   0.661% *  0.0996% (0.95   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   28  11.57 +/- 1.79   0.164% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  12.43 +/- 1.45   0.084% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  15.41 +/- 0.73   0.022% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  21.40 +/- 1.78   0.003% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.12, residual support = 154.9:
      O   HG2   GLN   30 - HE21  GLN   30   3.81 +/- 0.28  99.784% * 99.8337% (0.61  10.0   4.12 154.87) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30  10.76 +/- 0.47   0.209% *  0.1375% (0.84   1.0   0.02   8.10) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  19.57 +/- 2.08   0.008% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.03, residual support = 154.9:
      O   HG2   GLN   30 - HE22  GLN   30   3.04 +/- 0.37  99.865% * 99.8337% (0.61  10.0   4.03 154.87) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   9.44 +/- 0.46   0.133% *  0.1375% (0.84   1.0   0.02   8.10) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  19.42 +/- 2.00   0.002% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.6, residual support = 94.5:
      O   HB3   ASN   28 - HD22  ASN   28   3.68 +/- 0.43  98.901% * 99.7665% (0.90  10.0   3.60  94.49) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   7.95 +/- 0.82   1.093% *  0.1110% (1.00   1.0   0.02   8.10) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  21.65 +/- 2.02   0.004% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  22.12 +/- 1.21   0.003% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.25, residual support = 12.2:
          QG2   VAL   24 - HD22  ASN   28   2.48 +/- 0.73  99.997% * 97.2702% (0.97   1.25  12.24) = 100.000%  kept
          HG    LEU   63 - HD22  ASN   28  20.17 +/- 0.95   0.001% *  1.4003% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HD22  ASN   28  17.61 +/- 0.64   0.002% *  0.6059% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  28.72 +/- 0.99   0.000% *  0.7237% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.98, residual support = 92.3:
      O   HA    GLU-  29 - HN    GLU-  29   2.71 +/- 0.01  99.663% * 99.3483% (0.84  10.0   5.98  92.30) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.39 +/- 0.45   0.061% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.37 +/- 0.20   0.253% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  12.79 +/- 1.09   0.011% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.98 +/- 0.65   0.004% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.33 +/- 0.71   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.54 +/- 0.58   0.004% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.75 +/- 1.15   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  19.72 +/- 0.77   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  28.11 +/- 1.01   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 34.6:
          HB2   ASN   28 - HN    GLU-  29   2.22 +/- 0.09  99.874% * 98.6963% (0.97   5.96  34.58) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   8.28 +/- 2.01   0.116% *  0.3075% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.92 +/- 1.00   0.008% *  0.2080% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  13.59 +/- 0.86   0.002% *  0.3165% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  21.30 +/- 2.10   0.000% *  0.3429% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  17.85 +/- 0.81   0.000% *  0.1287% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.666, support = 5.65, residual support = 33.3:
          HB3   ASN   28 - HN    GLU-  29   3.47 +/- 0.26  91.932% * 48.2174% (0.65   5.75  34.58) =  91.452%  kept
          HG2   GLN   30 - HN    GLU-  29   5.38 +/- 0.35   8.066% * 51.3694% (0.87   4.57  19.36) =   8.548%  kept
          QE    LYS+ 121 - HN    GLU-  29  23.71 +/- 2.07   0.001% *  0.2454% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  23.42 +/- 1.09   0.001% *  0.1678% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.35, residual support = 92.3:
          HG2   GLU-  29 - HN    GLU-  29   2.99 +/- 0.59  97.348% * 97.7358% (0.57   5.35  92.30) =  99.995%  kept
          QG    GLN   32 - HN    GLU-  29   6.10 +/- 1.09   2.620% *  0.1795% (0.28   0.02   0.02) =   0.005%
          HB3   ASP-  86 - HN    GLU-  29  13.46 +/- 1.07   0.024% *  0.2654% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  16.50 +/- 0.58   0.007% *  0.6400% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.48 +/- 0.83   0.001% *  0.5393% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  27.73 +/- 1.70   0.000% *  0.6400% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.638, support = 3.39, residual support = 6.95:
          HA    ASN   28 - HN    GLN   30   3.80 +/- 0.11  47.812% * 57.6013% (0.45   4.50   8.10) =  63.284%  kept
          HA    THR   26 - HN    GLN   30   3.93 +/- 0.25  39.663% * 40.2716% (0.97   1.46   4.97) =  36.704%  kept
          HA1   GLY  101 - HN    LYS+  99   4.90 +/- 0.52  11.868% *  0.0313% (0.05   0.02   1.41) =   0.009%
          HA    ALA   34 - HN    GLN   30   8.84 +/- 0.28   0.309% *  0.3692% (0.65   0.02   0.44) =   0.003%
          HA1   GLY  101 - HN    GLN   30  12.83 +/- 1.84   0.047% *  0.4767% (0.84   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLN   30  10.81 +/- 0.62   0.093% *  0.0881% (0.15   0.02  10.45) =   0.000%
          HA    ALA   34 - HN    LYS+  99   9.99 +/- 0.65   0.155% *  0.0243% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.47 +/- 0.83   0.026% *  0.0168% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.58 +/- 0.74   0.001% *  0.2778% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.29 +/- 0.93   0.000% *  0.5399% (0.95   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  23.23 +/- 0.77   0.001% *  0.1947% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  17.92 +/- 1.08   0.005% *  0.0355% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.04 +/- 0.69   0.009% *  0.0183% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.27 +/- 0.61   0.004% *  0.0362% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.92 +/- 0.71   0.004% *  0.0058% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  21.98 +/- 0.53   0.001% *  0.0128% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.4, residual support = 19.4:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.01  96.492% * 99.3278% (1.00  10.0   5.40  19.36) =  99.998%  kept
          HA    GLN   32 - HN    GLN   30   6.58 +/- 0.13   2.193% *  0.0374% (0.38   1.0   0.02   1.69) =   0.001%
          HA    LYS+  33 - HN    GLN   30   7.75 +/- 0.28   0.837% *  0.0976% (0.98   1.0   0.02   0.17) =   0.001%
          HA    VAL   18 - HN    GLN   30  12.68 +/- 0.68   0.045% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  14.25 +/- 1.07   0.024% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.62 +/- 0.72   0.029% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  12.22 +/- 0.60   0.056% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.15 +/- 0.46   0.169% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.13 +/- 0.69   0.023% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  21.50 +/- 1.06   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  20.00 +/- 0.90   0.003% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.93 +/- 0.89   0.042% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  15.67 +/- 0.56   0.012% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.33 +/- 0.70   0.010% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.47 +/- 0.68   0.050% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  25.98 +/- 1.07   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.06 +/- 0.91   0.005% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.44 +/- 0.87   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  21.24 +/- 1.25   0.002% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  19.67 +/- 1.26   0.003% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.03 +/- 0.83   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.60 +/- 0.59   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (3.84, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.22, residual support = 154.9:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.01  99.846% * 99.5516% (0.92  10.0   6.22 154.87) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  11.29 +/- 0.78   0.028% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.93 +/- 0.53   0.032% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  13.50 +/- 1.00   0.010% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  16.64 +/- 1.92   0.003% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.08 +/- 0.65   0.053% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.17 +/- 0.81   0.018% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.48 +/- 0.68   0.006% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  19.41 +/- 0.68   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.41 +/- 0.92   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  27.09 +/- 0.91   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  19.90 +/- 1.53   0.001% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  18.32 +/- 1.05   0.001% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.06 +/- 1.32   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.00 +/- 0.61   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.00 +/- 0.65   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.995, support = 6.9, residual support = 150.5:
          HG2   GLN   30 - HN    GLN   30   3.27 +/- 0.29  92.311% * 72.1647% (1.00   7.01 154.87) =  97.046%  kept
          HB3   ASN   28 - HN    GLN   30   5.06 +/- 0.12   7.355% * 27.5676% (0.90   2.98   8.10) =   2.954%  kept
          QE    LYS+ 121 - HN    LYS+  99  11.04 +/- 2.48   0.220% *  0.0098% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  11.51 +/- 1.73   0.092% *  0.0051% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  21.86 +/- 2.07   0.001% *  0.1497% (0.73   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.47 +/- 0.69   0.009% *  0.0135% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  15.36 +/- 0.88   0.010% *  0.0122% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  20.99 +/- 1.04   0.001% *  0.0774% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.55, residual support = 154.9:
      O   HB3   GLN   30 - HN    GLN   30   2.36 +/- 0.45  98.189% * 98.7410% (0.69  10.0   6.55 154.87) =  99.999%  kept
          QB    LYS+  33 - HN    GLN   30   5.74 +/- 0.54   0.950% *  0.1044% (0.73   1.0   0.02   0.17) =   0.001%
          HB    ILE  103 - HN    LYS+  99   6.10 +/- 0.48   0.640% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.31 +/- 0.77   0.070% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.93 +/- 0.88   0.074% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.53 +/- 0.61   0.049% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.58 +/- 0.62   0.003% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.12 +/- 0.27   0.003% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.91 +/- 0.71   0.001% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.30 +/- 1.39   0.002% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.71 +/- 0.54   0.007% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.44 +/- 0.75   0.007% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  22.52 +/- 1.46   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  20.50 +/- 0.97   0.000% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.84 +/- 0.64   0.000% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  24.14 +/- 0.83   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  24.33 +/- 1.03   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  16.50 +/- 1.65   0.002% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  26.52 +/- 1.28   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  25.13 +/- 1.67   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.86 +/- 0.76   0.000% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.34 +/- 0.98   0.000% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  22.95 +/- 1.41   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.98 +/- 0.95   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.30 +/- 0.76   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.08 +/- 0.76   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.808, support = 5.58, residual support = 47.3:
          HG    LEU   31 - HN    GLN   30   4.89 +/- 0.82  43.495% * 86.5421% (0.80   5.89  50.02) =  93.953%  kept
          QD2   LEU   73 - HN    GLN   30   5.75 +/- 0.75  19.024% * 12.7070% (0.92   0.75   5.35) =   6.034%  kept
          QG1   VAL   41 - HN    GLN   30   7.34 +/- 0.56   3.644% *  0.0915% (0.25   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    LYS+  99   5.20 +/- 1.01  32.593% *  0.0060% (0.02   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LYS+  99   9.86 +/- 0.53   0.507% *  0.0223% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+  99  10.50 +/- 1.22   0.511% *  0.0193% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.82 +/- 1.06   0.201% *  0.0137% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  21.16 +/- 0.86   0.005% *  0.3663% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  24.31 +/- 0.91   0.002% *  0.2078% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  17.36 +/- 0.78   0.017% *  0.0241% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.97:
          QG2   THR   26 - HN    GLN   30   4.06 +/- 0.21  91.068% * 94.2903% (0.73   2.00   4.97) =  99.991%  kept
          HB3   LEU   40 - HN    LYS+  99   6.53 +/- 1.01   8.278% *  0.0619% (0.05   0.02  13.07) =   0.006%
          HB2   LYS+  74 - HN    GLN   30  11.67 +/- 0.56   0.173% *  1.2283% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN   30  14.64 +/- 0.74   0.050% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  12.21 +/- 2.02   0.263% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  19.71 +/- 2.05   0.009% *  0.8400% (0.65   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.02 +/- 0.52   0.037% *  0.0619% (0.05   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.48 +/- 0.78   0.050% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  23.63 +/- 1.69   0.003% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  22.88 +/- 0.59   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.11 +/- 0.72   0.005% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  24.91 +/- 1.40   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  17.62 +/- 0.91   0.015% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  19.23 +/- 0.85   0.009% *  0.0552% (0.04   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  18.56 +/- 1.05   0.012% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  16.42 +/- 1.17   0.023% *  0.0190% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.392, support = 6.31, residual support = 154.9:
      O   HB2   GLN   30 - HN    GLN   30   3.25 +/- 0.48  57.387% * 87.8512% (0.41  10.0   6.34 154.87) =  91.732%  kept
          HG3   GLN   30 - HN    GLN   30   3.50 +/- 0.40  41.367% * 10.9839% (0.18   1.0   5.87 154.87) =   8.267%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.37 +/- 0.42   1.189% *  0.0048% (0.02   1.0   0.02  39.77) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  15.03 +/- 2.00   0.010% *  0.1124% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  15.21 +/- 1.23   0.006% *  0.0729% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  21.62 +/- 3.58   0.001% *  0.1210% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  21.62 +/- 1.39   0.001% *  0.2062% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  12.90 +/- 0.73   0.018% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  22.02 +/- 1.19   0.001% *  0.1382% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.74 +/- 0.68   0.005% *  0.0091% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.12 +/- 0.96   0.000% *  0.0879% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.28 +/- 0.94   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  27.56 +/- 1.18   0.000% *  0.1552% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  25.65 +/- 1.29   0.000% *  0.0958% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  16.18 +/- 1.11   0.004% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.17 +/- 0.78   0.002% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.35 +/- 0.87   0.006% *  0.0025% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.44 +/- 1.61   0.001% *  0.0074% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.67 +/- 0.74   0.001% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  24.36 +/- 0.75   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  27.92 +/- 2.70   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.39 +/- 0.70   0.000% *  0.0102% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.918, support = 4.79, residual support = 19.4:
          HB3   GLU-  29 - HN    GLN   30   3.81 +/- 0.26  78.743% * 43.1920% (0.90   4.57  19.36) =  74.629%  kept
          HG3   GLU-  29 - HN    GLN   30   4.96 +/- 0.60  20.584% * 56.1681% (0.98   5.43  19.36) =  25.370%  kept
          QB    GLU-  36 - HN    GLN   30   9.32 +/- 0.28   0.371% *  0.1280% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  13.62 +/- 0.93   0.039% *  0.1110% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.77 +/- 0.29   0.023% *  0.1280% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  10.75 +/- 0.79   0.178% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  22.34 +/- 1.24   0.002% *  0.2091% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.37 +/- 0.60   0.044% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.90 +/- 0.70   0.007% *  0.0124% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.14 +/- 0.80   0.005% *  0.0136% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  23.49 +/- 1.08   0.001% *  0.0137% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.62 +/- 1.09   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.14, residual support = 92.3:
      O   HB2   GLU-  29 - HN    GLU-  29   2.49 +/- 0.45  99.986% * 99.4303% (0.76  10.0   5.14  92.30) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  14.44 +/- 1.03   0.006% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  17.25 +/- 1.12   0.002% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.68 +/- 0.56   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.74 +/- 0.92   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  18.41 +/- 1.51   0.001% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  26.42 +/- 1.12   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  24.50 +/- 0.89   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.784, support = 5.42, residual support = 92.3:
      O   HB3   GLU-  29 - HN    GLU-  29   3.31 +/- 0.45  37.675% * 67.9550% (0.65  10.0   4.78  92.30) =  57.063%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.07 +/- 0.27  60.603% * 31.7869% (0.97   1.0   6.27  92.30) =  42.936%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.55 +/- 0.42   1.676% *  0.0142% (0.14   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  10.57 +/- 0.42   0.034% *  0.0358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  13.08 +/- 1.01   0.010% *  0.0292% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.75 +/- 0.32   0.002% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  22.18 +/- 1.28   0.000% *  0.0877% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.93, support = 3.12, residual support = 154.9:
      O   HG3   GLN   30 - HE21  GLN   30   4.01 +/- 0.21  24.996% * 85.7272% (0.99  10.0   2.71 154.87) =  67.929%  kept
          HB2   GLN   30 - HE21  GLN   30   3.32 +/- 0.39  73.394% * 13.7833% (0.80   1.0   3.98 154.87) =  32.069%  kept
          QB    GLU-  15 - HE21  GLN   30   8.11 +/- 1.93   1.438% *  0.0421% (0.49   1.0   0.02   0.02) =   0.002%
          HB2   GLN   17 - HE21  GLN   30  10.46 +/- 0.93   0.112% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  14.34 +/- 1.37   0.014% *  0.0750% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  14.60 +/- 1.19   0.012% *  0.0750% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.38 +/- 0.70   0.028% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  20.27 +/- 1.20   0.002% *  0.0693% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  21.32 +/- 1.50   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  19.89 +/- 1.32   0.002% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.95 +/- 1.22   0.000% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  26.02 +/- 1.60   0.000% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.301, support = 1.61, residual support = 10.4:
          QD1   ILE   19 - HE21  GLN   30   3.32 +/- 0.85  43.722% * 57.5420% (0.41   1.27  10.45) =  53.517%  kept
          QG2   ILE   19 - HE21  GLN   30   3.12 +/- 0.65  56.187% * 38.8886% (0.18   2.01  10.45) =  46.480%  kept
          QD1   LEU   98 - HE21  GLN   30  10.84 +/- 0.86   0.061% *  1.9794% (0.90   0.02   0.02) =   0.003%
          QD2   LEU  104 - HE21  GLN   30  14.04 +/- 1.09   0.009% *  1.2496% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HE21  GLN   30  12.69 +/- 0.99   0.021% *  0.3405% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.278, support = 1.8, residual support = 10.4:
          QG2   ILE   19 - HE22  GLN   30   3.76 +/- 0.81  65.640% * 38.6449% (0.18   2.13  10.45) =  56.314%  kept
          QD1   ILE   19 - HE22  GLN   30   4.30 +/- 0.96  33.910% * 58.0117% (0.41   1.37  10.45) =  43.671%  kept
          QD1   LEU   98 - HE22  GLN   30  10.09 +/- 0.73   0.321% *  1.8540% (0.90   0.02   0.02) =   0.013%
          QD2   LEU  104 - HE22  GLN   30  13.64 +/- 1.03   0.042% *  1.1704% (0.57   0.02   0.02) =   0.001%
          QG2   THR   46 - HE22  GLN   30  12.44 +/- 0.75   0.086% *  0.3190% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.94, residual support = 45.6:
      O   HA    LEU   31 - HN    GLN   32   3.58 +/- 0.03  99.995% * 99.9819% (0.97  10.0   5.94  45.63) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.62 +/- 0.87   0.005% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.15, residual support = 44.1:
          QG    GLN   32 - HN    GLN   32   3.25 +/- 0.65  99.932% * 98.8364% (0.99   4.15  44.10) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  15.11 +/- 0.75   0.016% *  0.3849% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  13.20 +/- 0.96   0.044% *  0.1070% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  18.18 +/- 0.71   0.006% *  0.1336% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.82 +/- 0.81   0.002% *  0.3302% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  27.67 +/- 1.74   0.000% *  0.1336% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.27 +/- 0.87   0.000% *  0.0742% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.15, residual support = 44.1:
      O   QB    GLN   32 - HN    GLN   32   2.16 +/- 0.10  99.993% * 99.6924% (0.90  10.0   4.15  44.10) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.82 +/- 0.22   0.004% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  12.79 +/- 1.03   0.003% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  20.13 +/- 0.96   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  17.10 +/- 0.98   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.747, support = 2.91, residual support = 4.54:
          HB3   GLN   30 - HN    GLN   32   5.06 +/- 0.15  41.424% * 73.8471% (0.99   2.47   1.69) =  69.211%  kept
          QB    LYS+  33 - HN    GLN   32   4.77 +/- 0.35  58.315% * 23.3331% (0.20   3.91  10.96) =  30.786%  kept
          HB3   LYS+  38 - HN    GLN   32  12.40 +/- 0.20   0.189% *  0.5414% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  17.27 +/- 0.77   0.026% *  0.2059% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  17.88 +/- 0.70   0.021% *  0.1863% (0.31   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  21.79 +/- 3.67   0.015% *  0.1344% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  26.30 +/- 1.16   0.002% *  0.5984% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  26.21 +/- 0.83   0.002% *  0.4614% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  27.39 +/- 1.44   0.002% *  0.5414% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  24.58 +/- 1.48   0.003% *  0.1505% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.94, residual support = 45.6:
          HB2   LEU   31 - HN    GLN   32   2.85 +/- 0.16  99.920% * 97.3771% (0.98   5.94  45.63) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  11.23 +/- 0.78   0.031% *  0.2029% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  11.85 +/- 1.26   0.027% *  0.2164% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  14.41 +/- 0.90   0.006% *  0.3338% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  14.37 +/- 0.59   0.007% *  0.2429% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  17.29 +/- 0.71   0.002% *  0.3000% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  15.97 +/- 0.86   0.003% *  0.1760% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  19.55 +/- 1.06   0.001% *  0.3229% (0.97   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  18.56 +/- 1.07   0.001% *  0.0930% (0.28   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  22.76 +/- 1.76   0.000% *  0.2557% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  23.62 +/- 1.40   0.000% *  0.1628% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.90 +/- 1.55   0.000% *  0.3165% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.94, residual support = 45.6:
          HB3   LEU   31 - HN    GLN   32   3.87 +/- 0.12  99.385% * 98.9154% (0.98   5.94  45.63) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.50 +/- 0.66   0.514% *  0.1924% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.53 +/- 0.31   0.089% *  0.1788% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  22.57 +/- 1.31   0.003% *  0.3280% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  19.27 +/- 0.70   0.007% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.57 +/- 1.50   0.002% *  0.0673% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  31.54 +/- 1.14   0.000% *  0.2334% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.27, residual support = 11.0:
          QG    GLN   32 - HN    LYS+  33   4.33 +/- 0.04  99.945% * 98.6164% (0.84   4.27  10.96) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.39 +/- 0.67   0.035% *  0.2910% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  19.38 +/- 0.70   0.013% *  0.2910% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  22.20 +/- 0.72   0.006% *  0.5106% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  27.65 +/- 1.91   0.002% *  0.2910% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.27, residual support = 11.0:
          QB    GLN   32 - HN    LYS+  33   2.85 +/- 0.06  99.958% * 98.4937% (1.00   4.27  10.96) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  11.92 +/- 0.97   0.022% *  0.3694% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.88 +/- 0.23   0.008% *  0.4573% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  14.30 +/- 2.09   0.010% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  18.09 +/- 1.04   0.002% *  0.4259% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  27.47 +/- 1.19   0.000% *  0.0913% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  28.68 +/- 1.03   0.000% *  0.0913% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.72, residual support = 149.0:
      O   QB    LYS+  33 - HN    LYS+  33   2.35 +/- 0.34  99.069% * 99.1015% (0.97  10.0   5.72 149.00) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.48 +/- 0.26   0.915% *  0.0385% (0.38   1.0   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  10.97 +/- 0.16   0.013% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.19 +/- 0.98   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  18.05 +/- 0.67   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  19.13 +/- 0.67   0.000% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  19.76 +/- 0.69   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  20.41 +/- 1.07   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  26.35 +/- 1.39   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  26.51 +/- 0.68   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.72 +/- 1.16   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  27.53 +/- 1.14   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  25.62 +/- 1.62   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  26.92 +/- 1.51   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  30.52 +/- 1.02   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.32, residual support = 149.0:
          HG2   LYS+  33 - HN    LYS+  33   3.40 +/- 0.55  99.993% * 98.5782% (0.61   4.32 149.00) = 100.000%  kept
          HG2   LYS+ 106 - HN    LYS+  33  20.18 +/- 1.17   0.003% *  0.7267% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LYS+  33  20.04 +/- 0.78   0.003% *  0.6951% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.371, support = 5.35, residual support = 143.8:
          HG3   LYS+  33 - HN    LYS+  33   3.14 +/- 1.15  86.008% * 76.0981% (0.38   5.47 149.00) =  96.508%  kept
          HB2   LEU   31 - HN    LYS+  33   5.06 +/- 0.12  13.504% * 17.5215% (0.25   1.90   0.55) =   3.489%  kept
          HB3   LEU   73 - HN    LYS+  33   9.89 +/- 0.76   0.265% *  0.3899% (0.53   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    LYS+  33  12.59 +/- 1.34   0.109% *  0.6429% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  12.87 +/- 0.43   0.048% *  0.3323% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  15.89 +/- 1.76   0.021% *  0.4196% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  17.58 +/- 0.86   0.008% *  0.7011% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  16.28 +/- 0.91   0.014% *  0.2781% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.59 +/- 0.76   0.008% *  0.4495% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.80 +/- 0.94   0.004% *  0.5664% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.03 +/- 1.03   0.005% *  0.3607% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  21.55 +/- 1.84   0.003% *  0.5664% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  21.17 +/- 1.54   0.002% *  0.3323% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  24.31 +/- 1.27   0.001% *  0.7152% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  31.39 +/- 1.03   0.000% *  0.4794% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  30.57 +/- 1.46   0.000% *  0.1467% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.551, residual support = 0.551:
          QD2   LEU   31 - HN    LYS+  33   4.89 +/- 0.04  99.582% * 90.2055% (0.65   0.55   0.55) =  99.977%  kept
          QG2   VAL   83 - HN    LYS+  33  13.03 +/- 1.19   0.341% *  5.0115% (0.99   0.02   0.02) =   0.019%
          QD1   ILE   89 - HN    LYS+  33  16.29 +/- 0.83   0.078% *  4.7830% (0.95   0.02   0.02) =   0.004%
    Distance limit 4.57 A violated in 0 structures by 0.32 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.766, support = 1.98, residual support = 2.99:
          HA    LYS+  33 - HN    ASN   35   3.74 +/- 0.12  44.915% * 65.3235% (0.98   1.84   1.43) =  64.644%  kept
          HA    GLN   32 - HN    ASN   35   3.64 +/- 0.10  52.766% * 30.4005% (0.38   2.24   5.83) =  35.343%  kept
          HA    GLU-  29 - HN    ASN   35   8.10 +/- 0.26   0.434% *  0.7210% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.54 +/- 0.48   1.794% *  0.1115% (0.15   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ASN   35  10.91 +/- 0.66   0.078% *  0.5522% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  15.54 +/- 0.69   0.009% *  0.7162% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  20.36 +/- 1.04   0.002% *  0.6974% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  26.00 +/- 0.89   0.000% *  0.5522% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  23.86 +/- 1.14   0.001% *  0.2971% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  27.84 +/- 0.96   0.000% *  0.4675% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  30.21 +/- 0.80   0.000% *  0.1609% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 51.9:
          HA    GLU-  36 - HN    ASN   35   4.93 +/- 0.02  96.809% * 98.5307% (0.97   3.97  51.93) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.74 +/- 0.23   3.161% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    ASN   35  22.72 +/- 0.73   0.010% *  0.5129% (1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   35  23.26 +/- 2.03   0.010% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  29.44 +/- 0.85   0.002% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  24.23 +/- 0.63   0.007% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 7 structures by 0.88 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.87, residual support = 55.5:
      O   HB2   ASN   35 - HN    ASN   35   2.82 +/- 0.60  98.782% * 98.5351% (0.31  10.0   5.87  55.47) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   35   6.58 +/- 0.35   1.137% *  0.3185% (1.00   1.0   0.02   1.43) =   0.004%
          HB2   ASN   28 - HN    ASN   35  10.49 +/- 0.32   0.063% *  0.3081% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  14.01 +/- 1.22   0.012% *  0.0559% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  17.66 +/- 1.25   0.003% *  0.2065% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  20.96 +/- 1.63   0.001% *  0.2769% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  20.79 +/- 0.80   0.001% *  0.0796% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  25.33 +/- 0.84   0.000% *  0.2193% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.33, residual support = 18.8:
          QB    ALA   34 - HN    ASN   35   2.94 +/- 0.06  97.660% * 98.0070% (0.92   3.33  18.79) =  99.994%  kept
          QG2   THR   39 - HN    ASN   35   6.71 +/- 1.28   1.830% *  0.1968% (0.31   0.02   0.02) =   0.004%
          HG3   LYS+  38 - HN    ASN   35   7.20 +/- 0.57   0.501% *  0.3610% (0.57   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  14.70 +/- 0.83   0.007% *  0.6250% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  20.84 +/- 1.01   0.001% *  0.4873% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.79 +/- 0.85   0.002% *  0.1262% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  23.86 +/- 0.88   0.000% *  0.1968% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.68, residual support = 94.5:
      O   HB2   ASN   28 - HD21  ASN   28   3.51 +/- 0.47  99.005% * 99.6076% (0.97  10.0   3.68  94.49) =  99.999%  kept
          HB2   ASP-  86 - HD21  ASN   28   9.24 +/- 1.14   0.751% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD21  ASN   28  11.27 +/- 1.72   0.150% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  12.31 +/- 1.30   0.069% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  15.47 +/- 0.94   0.021% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  21.25 +/- 1.85   0.003% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.38, residual support = 94.5:
      O   HB3   ASN   28 - HD21  ASN   28   3.57 +/- 0.33  98.808% * 99.7665% (0.90  10.0   3.38  94.49) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   7.61 +/- 0.94   1.187% *  0.1110% (1.00   1.0   0.02   8.10) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  21.70 +/- 2.10   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  22.11 +/- 1.52   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.9, residual support = 12.2:
          QG2   VAL   24 - HD21  ASN   28   2.52 +/- 0.53  99.995% * 96.9714% (0.76   1.90  12.24) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  15.95 +/- 0.90   0.003% *  0.3333% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  20.17 +/- 1.13   0.001% *  1.1989% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  18.00 +/- 1.27   0.002% *  0.2063% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  28.80 +/- 1.01   0.000% *  1.2901% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 47.7:
      O   HA    TRP   27 - HN    ASN   28   3.63 +/- 0.01  99.995% * 99.7755% (1.00  10.0   5.38  47.74) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  21.49 +/- 0.77   0.002% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.82 +/- 0.57   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  26.26 +/- 0.72   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.66, residual support = 12.2:
          HA    VAL   24 - HN    ASN   28   3.68 +/- 0.36  99.968% * 99.4565% (0.92   5.66  12.24) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.16 +/- 0.29   0.022% *  0.1564% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  18.51 +/- 1.46   0.007% *  0.1564% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.61 +/- 1.11   0.003% *  0.2307% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.3, residual support = 47.7:
          HB2   TRP   27 - HN    ASN   28   2.74 +/- 0.10  99.990% * 99.2345% (0.80   5.30  47.74) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.05 +/- 0.69   0.009% *  0.3908% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  22.39 +/- 1.02   0.000% *  0.3747% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.35, residual support = 94.5:
      O   HB2   ASN   28 - HN    ASN   28   2.63 +/- 0.19  99.880% * 99.6076% (0.97  10.0   6.35  94.49) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.86 +/- 1.79   0.080% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  11.05 +/- 0.77   0.023% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  12.00 +/- 1.12   0.014% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  15.70 +/- 0.80   0.002% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  20.54 +/- 1.96   0.001% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.07, residual support = 94.5:
      O   HB3   ASN   28 - HN    ASN   28   3.53 +/- 0.01  94.659% * 99.7665% (0.90  10.0   6.07  94.49) =  99.994%  kept
          HG2   GLN   30 - HN    ASN   28   5.84 +/- 0.46   5.338% *  0.1110% (1.00   1.0   0.02   8.10) =   0.006%
          QE    LYS+ 121 - HN    ASN   28  22.34 +/- 2.03   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  22.25 +/- 1.13   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 2.42, residual support = 22.7:
          HG3   GLU-  29 - HN    ASN   28   5.39 +/- 0.30  55.239% * 55.1604% (0.20   3.52  34.58) =  62.709%  kept
          HB2   GLU-  25 - HN    ASN   28   5.59 +/- 0.11  44.214% * 40.9724% (0.90   0.58   2.69) =  37.283%  kept
          HB2   MET   96 - HN    ASN   28  12.58 +/- 0.56   0.350% *  0.4888% (0.31   0.02   0.02) =   0.004%
          QG    GLN   17 - HN    ASN   28  15.99 +/- 1.51   0.097% *  1.2680% (0.80   0.02   0.02) =   0.003%
          HB    VAL   70 - HN    ASN   28  17.22 +/- 0.85   0.054% *  1.1499% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.58 +/- 0.33   0.046% *  0.9605% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.489, support = 2.71, residual support = 12.2:
          QG2   VAL   24 - HN    ASN   28   3.57 +/- 0.20  76.602% * 45.9511% (0.45   2.82  12.24) =  74.027%  kept
          QG1   VAL   24 - HN    ASN   28   4.48 +/- 0.59  23.391% * 52.7985% (0.61   2.39  12.24) =  25.973%  kept
          QG1   VAL  107 - HN    ASN   28  18.37 +/- 0.55   0.004% *  0.6716% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.20 +/- 0.95   0.002% *  0.2246% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  29.68 +/- 1.17   0.000% *  0.3542% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 2.32, residual support = 0.795:
          QD2   LEU   80 - HN    ASN   28   5.76 +/- 1.01  31.145% * 40.7593% (0.45   2.32   1.02) =  41.105%  kept
          QD1   LEU   73 - HN    ASN   28   5.32 +/- 0.83  45.084% * 21.3906% (0.15   3.54   0.97) =  31.227%  kept
          QG1   VAL   83 - HN    ASN   28   5.94 +/- 0.65  23.454% * 36.4252% (1.00   0.93   0.27) =  27.664%  kept
          QG2   ILE   89 - HN    ASN   28  12.78 +/- 0.56   0.190% *  0.4436% (0.57   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    ASN   28  16.11 +/- 1.26   0.062% *  0.5382% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  15.64 +/- 0.62   0.054% *  0.1209% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  21.08 +/- 1.53   0.011% *  0.3221% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 2.99, residual support = 24.9:
          HA    VAL   24 - HN    TRP   27   3.06 +/- 0.08  99.984% * 99.0106% (0.99   2.99  24.86) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.51 +/- 0.35   0.004% *  0.4848% (0.73   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  16.84 +/- 1.49   0.004% *  0.1169% (0.18   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.64 +/- 0.76   0.004% *  0.0818% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  20.98 +/- 1.08   0.001% *  0.2061% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  18.92 +/- 1.09   0.002% *  0.0144% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.65 +/- 0.96   0.000% *  0.0599% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  26.85 +/- 1.75   0.000% *  0.0255% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.44, residual support = 107.5:
      O   HB2   TRP   27 - HN    TRP   27   2.20 +/- 0.09  99.714% * 99.8160% (0.99  10.0   5.44 107.49) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   6.91 +/- 1.07   0.248% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.86 +/- 0.67   0.005% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.63 +/- 0.87   0.032% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.47 +/- 1.05   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  17.29 +/- 0.77   0.000% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 107.5:
      O   HB3   TRP   27 - HN    TRP   27   2.77 +/- 0.13  99.958% * 99.6559% (0.99  10.0   5.64 107.49) = 100.000%  kept
          HB2   PHE   97 - HN    TRP   27  17.60 +/- 0.54   0.002% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  12.56 +/- 1.80   0.019% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  16.58 +/- 1.44   0.003% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.45 +/- 1.54   0.001% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.62 +/- 0.67   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.58 +/- 0.73   0.001% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  14.25 +/- 0.87   0.006% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.06 +/- 2.25   0.002% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  16.88 +/- 0.78   0.002% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.94 +/- 1.10   0.002% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  22.29 +/- 1.06   0.000% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  20.30 +/- 2.41   0.001% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  27.89 +/- 1.14   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.749, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   2.56 +/- 0.47  99.986% * 96.3518% (0.53   0.75   1.50) = 100.000%  kept
          HG2   MET   96 - HN    TRP   27  14.30 +/- 1.05   0.005% *  2.9642% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ALA   91  13.03 +/- 1.00   0.009% *  0.3663% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  18.82 +/- 0.88   0.001% *  0.3177% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.48, residual support = 22.5:
          QG2   THR   26 - HN    TRP   27   3.54 +/- 0.25  99.385% * 97.6051% (0.98   4.48  22.52) =  99.998%  kept
          HB2   LYS+  74 - HN    TRP   27   9.17 +/- 0.80   0.403% *  0.3559% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  12.07 +/- 0.68   0.071% *  0.0778% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  19.57 +/- 2.10   0.004% *  0.4435% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  17.09 +/- 0.78   0.009% *  0.0880% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  21.68 +/- 0.96   0.002% *  0.3397% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  13.64 +/- 1.81   0.064% *  0.0109% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.85 +/- 1.09   0.014% *  0.0440% (0.10   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.09 +/- 1.08   0.005% *  0.1236% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  24.25 +/- 1.63   0.001% *  0.4435% (1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  18.35 +/- 0.66   0.005% *  0.0538% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  20.60 +/- 2.14   0.004% *  0.0548% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  14.72 +/- 1.19   0.022% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  24.61 +/- 1.09   0.001% *  0.1236% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.29 +/- 1.16   0.001% *  0.0548% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  22.97 +/- 1.28   0.002% *  0.0420% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.86 +/- 1.02   0.001% *  0.0880% (0.20   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  21.10 +/- 1.38   0.003% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  21.67 +/- 1.79   0.003% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  23.82 +/- 1.01   0.001% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.881, support = 3.05, residual support = 13.5:
          QD1   LEU   73 - HN    TRP   27   5.14 +/- 0.93  37.269% * 57.1446% (1.00   3.24  18.09) =  51.984%  kept
          QD2   LEU   80 - HN    TRP   27   4.85 +/- 1.29  49.779% * 38.9556% (0.76   2.88   8.61) =  47.333%  kept
          QG1   VAL   83 - HN    TRP   27   6.21 +/- 0.70  10.731% *  2.5974% (0.15   0.95   3.79) =   0.680%  kept
          QG2   VAL   41 - HN    TRP   27   8.45 +/- 0.92   1.468% *  0.0479% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    TRP   27  14.98 +/- 0.62   0.040% *  0.3529% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  15.86 +/- 1.09   0.032% *  0.2145% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.91 +/- 0.95   0.171% *  0.0334% (0.09   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.75 +/- 1.16   0.021% *  0.1861% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  13.77 +/- 1.02   0.062% *  0.0436% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  20.31 +/- 1.60   0.007% *  0.2832% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  14.57 +/- 1.58   0.054% *  0.0350% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  11.00 +/- 0.76   0.272% *  0.0067% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  15.52 +/- 0.58   0.031% *  0.0436% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  15.70 +/- 1.18   0.028% *  0.0265% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.55 +/- 1.49   0.011% *  0.0230% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.18 +/- 0.86   0.024% *  0.0059% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 1 structures by 0.15 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.936, support = 0.02, residual support = 1.84:
          QG2   VAL   75 - HN    TRP   27   6.14 +/- 0.96  88.829% * 43.3149% (0.95   0.02   1.90) =  96.886%  kept
          QG2   VAL   42 - HN    TRP   27  12.63 +/- 0.65   1.581% * 45.6877% (1.00   0.02   0.02) =   1.819%  kept
          QG2   VAL   75 - HN    ALA   91  10.20 +/- 0.98   9.170% *  5.3521% (0.12   0.02   0.02) =   1.236%  kept
          QG2   VAL   42 - HN    ALA   91  15.58 +/- 0.72   0.420% *  5.6453% (0.12   0.02   0.02) =   0.060%
    Distance limit 4.44 A violated in 15 structures by 1.54 A, eliminated.
    Peak unassigned.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.7, residual support = 107.5:
          HA    TRP   27 - HE1   TRP   27   5.72 +/- 0.35  99.690% * 98.3471% (1.00   2.70 107.49) =  99.998%  kept
          HA    ALA   91 - HE1   TRP   27  18.62 +/- 1.90   0.136% *  0.6894% (0.95   0.02   0.02) =   0.001%
          HA    VAL  107 - HE1   TRP   27  17.21 +/- 0.72   0.149% *  0.6087% (0.84   0.02   0.02) =   0.001%
          HA    PRO   52 - HE1   TRP   27  23.64 +/- 1.16   0.024% *  0.3547% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 8 structures by 0.92 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.797, support = 1.78, residual support = 15.2:
          QD1   LEU   73 - HE1   TRP   27   4.61 +/- 1.49  49.136% * 54.1706% (0.87   2.00  18.09) =  78.567%  kept
          QG1   VAL   83 - HE1   TRP   27   4.65 +/- 1.41  45.667% * 12.4059% (0.41   0.97   3.79) =  16.723%  kept
          QD2   LEU   80 - HE1   TRP   27   6.51 +/- 1.34   5.057% * 31.5427% (0.99   1.02   8.61) =   4.709%  kept
          QD1   LEU  104 - HE1   TRP   27  12.50 +/- 1.70   0.073% *  0.5419% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  12.87 +/- 0.89   0.035% *  0.5419% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HE1   TRP   27  13.71 +/- 1.54   0.026% *  0.1737% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE1   TRP   27  18.05 +/- 1.54   0.006% *  0.6233% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.564, support = 1.52, residual support = 10.1:
          QD2   LEU   31 - HE1   TRP   27   3.56 +/- 1.53  72.596% * 38.6595% (0.31   1.88  10.34) =  62.541%  kept
          QG2   VAL   43 - HE1   TRP   27   4.94 +/- 0.61  27.404% * 61.3405% (0.99   0.93   9.58) =  37.459%  kept
    Distance limit 3.84 A violated in 2 structures by 0.22 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.64, residual support = 29.5:
          HB2   GLU-  25 - HN    THR   26   2.54 +/- 0.09  98.542% * 98.9667% (0.90   5.64  29.46) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   5.25 +/- 0.36   1.453% *  0.0775% (0.20   0.02   1.16) =   0.001%
          QG    GLN   17 - HN    THR   26  15.32 +/- 1.41   0.002% *  0.3134% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.28 +/- 0.62   0.002% *  0.1208% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  18.83 +/- 0.80   0.001% *  0.2842% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.51 +/- 0.26   0.000% *  0.2374% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.25, residual support = 29.5:
          HB3   GLU-  25 - HN    THR   26   3.21 +/- 0.10  97.821% * 95.4959% (0.57   5.25  29.46) =  99.989%  kept
          HG3   GLN   30 - HN    THR   26   6.63 +/- 0.50   1.454% *  0.5363% (0.84   0.02   4.97) =   0.008%
          HB2   GLN   30 - HN    THR   26   7.77 +/- 0.70   0.610% *  0.3378% (0.53   0.02   4.97) =   0.002%
          HB    ILE   19 - HN    THR   26  10.28 +/- 0.60   0.097% *  0.1271% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  15.99 +/- 1.51   0.008% *  0.4907% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.78 +/- 0.54   0.005% *  0.4907% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  20.68 +/- 1.18   0.002% *  0.3894% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  23.13 +/- 1.36   0.001% *  0.6406% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  22.64 +/- 1.17   0.001% *  0.1982% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  26.16 +/- 0.84   0.000% *  0.3378% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.92 +/- 0.86   0.000% *  0.5363% (0.84   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.74 +/- 1.35   0.001% *  0.1601% (0.25   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  25.88 +/- 1.46   0.000% *  0.1601% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  23.86 +/- 0.69   0.001% *  0.0991% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 35.6:
          QG2   THR   26 - HN    THR   26   3.63 +/- 0.05  99.768% * 98.0839% (0.95   4.46  35.64) =  99.999%  kept
          HB2   LYS+  74 - HN    THR   26  10.32 +/- 0.89   0.220% *  0.4611% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    THR   26  20.97 +/- 2.19   0.003% *  0.4172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  19.26 +/- 0.75   0.005% *  0.2086% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  23.27 +/- 0.91   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  26.63 +/- 1.63   0.001% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  25.08 +/- 0.52   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  25.95 +/- 1.69   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.587, support = 0.0198, residual support = 0.0198:
          HB3   LEU   80 - HN    THR   26   8.77 +/- 0.69  55.296% *  8.4695% (0.53   0.02   0.02) =  50.492%  kept
          HB2   LEU   31 - HN    THR   26   9.59 +/- 0.32  32.483% * 11.0578% (0.69   0.02   0.02) =  38.726%  kept
          QG2   THR   77 - HN    THR   26  12.20 +/- 0.61   7.819% *  7.8357% (0.49   0.02   0.02) =   6.605%  kept
          QB    ALA   88 - HN    THR   26  17.13 +/- 0.34   0.972% * 13.9639% (0.87   0.02   0.02) =   1.463%  kept
          HB3   ASP-  44 - HN    THR   26  15.20 +/- 1.00   2.220% *  4.9686% (0.31   0.02   0.02) =   1.189%  kept
          HG2   LYS+  38 - HN    THR   26  20.03 +/- 0.49   0.388% * 16.0623% (1.00   0.02   0.02) =   0.671%  kept
          HG2   LYS+  99 - HN    THR   26  21.17 +/- 0.89   0.282% * 15.5357% (0.97   0.02   0.02) =   0.472%
          HB2   LEU   63 - HN    THR   26  19.85 +/- 1.18   0.423% *  6.6181% (0.41   0.02   0.02) =   0.302%
          HG2   LYS+ 111 - HN    THR   26  29.23 +/- 1.08   0.040% * 12.3026% (0.76   0.02   0.02) =   0.053%
          QB    ALA  124 - HN    THR   26  26.21 +/- 1.37   0.079% *  3.1858% (0.20   0.02   0.02) =   0.027%
    Distance limit 4.50 A violated in 20 structures by 3.39 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.66, residual support = 34.8:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.02  99.992% * 99.8455% (0.92  10.0   5.66  34.80) = 100.000%  kept
          HA    ALA   61 - HN    GLU-  25  19.90 +/- 1.55   0.004% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  19.78 +/- 0.36   0.004% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  24.82 +/- 1.13   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 127.9:
      O   HB2   GLU-  25 - HN    GLU-  25   2.91 +/- 0.38  98.818% * 99.5608% (0.61  10.0   6.10 127.88) =  99.999%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.72 +/- 0.40   0.831% *  0.0736% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  25   8.27 +/- 0.80   0.344% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.54 +/- 1.37   0.003% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  18.25 +/- 1.47   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.15 +/- 0.30   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  20.69 +/- 0.93   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.87, residual support = 127.9:
      O   HB3   GLU-  25 - HN    GLU-  25   2.41 +/- 0.63  99.830% * 98.7761% (0.57  10.0   5.87 127.88) = 100.000%  kept
          HG3   GLN   30 - HN    GLU-  25   9.18 +/- 0.48   0.081% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLU-  25   9.86 +/- 0.71   0.072% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.69 +/- 0.58   0.013% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.12 +/- 0.58   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.34 +/- 1.52   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  21.75 +/- 1.36   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.43 +/- 1.33   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  22.03 +/- 1.31   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.82 +/- 0.98   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  27.10 +/- 0.95   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.73 +/- 1.59   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  26.06 +/- 1.48   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  26.04 +/- 0.89   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.27, residual support = 6.37:
          QG2   THR   23 - HN    GLU-  25   2.75 +/- 1.23  99.795% * 98.6159% (0.73   3.27   6.37) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  11.35 +/- 0.72   0.113% *  0.6036% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.27 +/- 0.34   0.069% *  0.3120% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.66 +/- 0.43   0.016% *  0.2835% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  18.44 +/- 1.53   0.007% *  0.1851% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.6, residual support = 34.8:
          QG2   VAL   24 - HN    GLU-  25   3.41 +/- 0.58  99.995% * 99.2443% (0.97   4.60  34.80) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  22.53 +/- 1.27   0.002% *  0.3876% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  20.17 +/- 0.74   0.003% *  0.1677% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  30.42 +/- 1.35   0.000% *  0.2003% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 127.9:
          HG2   GLU-  25 - HN    GLU-  25   3.70 +/- 0.31  99.968% * 99.4328% (0.97   5.29 127.88) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  15.24 +/- 0.62   0.025% *  0.1203% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  19.37 +/- 1.05   0.006% *  0.1896% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  29.74 +/- 1.44   0.000% *  0.1602% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  31.07 +/- 1.72   0.000% *  0.0972% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 65.3:
      O   HA    VAL   24 - HN    VAL   24   2.79 +/- 0.05  99.998% * 99.8455% (0.92  10.0   4.34  65.27) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  18.48 +/- 1.59   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.41 +/- 0.72   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  24.27 +/- 1.44   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 65.3:
      O   HB    VAL   24 - HN    VAL   24   2.24 +/- 0.23  99.015% * 99.7135% (0.95  10.0   4.68  65.27) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   5.83 +/- 1.16   0.980% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  11.99 +/- 0.32   0.005% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  21.86 +/- 1.66   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  25.36 +/- 1.19   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.8:
          QG2   THR   23 - HN    VAL   24   2.88 +/- 0.98  99.516% * 99.1626% (0.73   5.43  25.83) =  99.998%  kept
          QG2   THR   77 - HN    VAL   24   9.24 +/- 0.78   0.393% *  0.3651% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   24  12.70 +/- 0.58   0.050% *  0.1887% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  14.05 +/- 0.61   0.028% *  0.1715% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  16.62 +/- 1.66   0.012% *  0.1120% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.857, support = 4.15, residual support = 65.3:
          QG1   VAL   24 - HN    VAL   24   2.47 +/- 0.49  82.496% * 77.1676% (0.90   4.09  65.27) =  94.323%  kept
          QG2   VAL   24 - HN    VAL   24   3.53 +/- 0.23  17.496% * 21.9005% (0.20   5.25  65.27) =   5.677%  kept
          HB3   LEU   31 - HN    VAL   24  12.51 +/- 0.65   0.007% *  0.0938% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  18.66 +/- 1.05   0.001% *  0.4175% (0.99   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  22.80 +/- 1.33   0.000% *  0.0834% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  28.73 +/- 1.62   0.000% *  0.3373% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 2.95, residual support = 11.1:
          QD2   LEU   80 - HN    VAL   24   2.75 +/- 0.60  94.000% * 96.3913% (0.76   2.95  11.11) =  99.989%  kept
          QG1   VAL   83 - HN    VAL   24   4.86 +/- 0.46   5.703% *  0.1320% (0.15   0.02   0.56) =   0.008%
          QD1   LEU   73 - HN    VAL   24   8.09 +/- 1.28   0.246% *  0.8535% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    VAL   24  11.12 +/- 1.29   0.042% *  0.1158% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  16.27 +/- 1.26   0.004% *  0.8535% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  17.50 +/- 1.57   0.003% *  0.5188% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  18.87 +/- 1.51   0.002% *  0.4501% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  20.97 +/- 1.48   0.001% *  0.6850% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.15, residual support = 21.3:
          HB2   HIS   22 - HN    THR   23   4.50 +/- 0.03  99.972% * 99.6214% (0.99   5.15  21.28) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  19.69 +/- 0.99   0.015% *  0.3258% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  20.50 +/- 1.81   0.013% *  0.0528% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.75, residual support = 21.3:
          HB3   HIS   22 - HN    THR   23   4.45 +/- 0.03  99.962% * 99.7237% (0.76   5.75  21.28) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  17.44 +/- 0.92   0.029% *  0.0898% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  21.72 +/- 1.90   0.009% *  0.1865% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.12, residual support = 4.77:
          HB3   CYS   21 - HN    THR   23   4.15 +/- 0.26 100.000% *100.0000% (1.00   2.12   4.77) = 100.000%  kept
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 1.9, residual support = 12.9:
          QG2   THR   26 - HN    THR   23   4.65 +/- 0.17  84.828% * 94.4315% (0.73   1.91  12.98) =  99.757%  kept
          HB2   LYS+  74 - HN    THR   23   6.70 +/- 1.07  15.105% *  1.2907% (0.95   0.02   0.02) =   0.243%
          HG2   LYS+  65 - HN    THR   23  18.39 +/- 2.13   0.026% *  0.8826% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   23  19.42 +/- 0.83   0.016% *  0.9908% (0.73   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  23.04 +/- 1.89   0.007% *  0.6641% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  23.43 +/- 0.66   0.005% *  0.6641% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  21.41 +/- 1.08   0.009% *  0.3038% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  25.24 +/- 1.60   0.004% *  0.7725% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.74, residual support = 19.0:
          QG2   THR   23 - HN    THR   23   3.28 +/- 0.59  99.691% * 97.6984% (0.41   4.74  19.04) =  99.997%  kept
          QG2   THR   77 - HN    THR   23   9.48 +/- 0.55   0.247% *  0.9668% (0.97   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    THR   23  12.40 +/- 0.29   0.048% *  0.1546% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   23  16.04 +/- 0.43   0.010% *  0.6480% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.22 +/- 0.39   0.001% *  0.3092% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  21.91 +/- 1.06   0.002% *  0.2230% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.325, support = 2.14, residual support = 5.86:
          QD1   LEU   80 - HN    THR   23   4.21 +/- 1.11  55.649% * 40.6071% (0.45   1.08   5.86) =  50.751%  kept
          QD2   LEU   80 - HN    THR   23   4.59 +/- 1.06  40.741% * 53.7440% (0.20   3.24   5.86) =  49.176%  kept
          QD1   LEU   73 - HN    THR   23   7.41 +/- 0.89   3.125% *  0.8824% (0.53   0.02   0.02) =   0.062%
          QG2   VAL   41 - HN    THR   23  10.89 +/- 0.96   0.261% *  1.0850% (0.65   0.02   0.02) =   0.006%
          QD2   LEU   98 - HN    THR   23  12.11 +/- 0.84   0.143% *  0.7520% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    THR   23  15.97 +/- 1.20   0.033% *  1.6735% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    THR   23  14.84 +/- 0.89   0.042% *  0.8824% (0.53   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    THR   23  19.62 +/- 1.64   0.006% *  0.3734% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.19 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.4:
      O   HB3   HIS   22 - HN    HIS   22   3.19 +/- 0.42  99.999% * 99.9260% (0.98  10.0   3.46  34.38) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  23.02 +/- 2.06   0.001% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 6.41, residual support = 165.1:
          HG3   ARG+  54 - HN    ARG+  54   3.43 +/- 0.54  73.657% * 94.9343% (0.26   6.43 165.53) =  99.718%  kept
          QB    ALA   57 - HN    ARG+  54   4.41 +/- 0.62  23.876% *  0.8117% (0.72   0.02   0.02) =   0.276%
          QB    ALA   57 - HN    ASP-  62   6.42 +/- 0.37   2.225% *  0.1519% (0.14   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HN    ARG+  54  12.74 +/- 1.07   0.040% *  0.4762% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ARG+  54  14.84 +/- 1.09   0.016% *  0.8505% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  10.48 +/- 0.79   0.115% *  0.0891% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  13.20 +/- 0.97   0.029% *  0.1948% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.50 +/- 1.33   0.033% *  0.0553% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.98 +/- 1.12   0.001% *  1.0411% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.89 +/- 1.48   0.005% *  0.1591% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  19.25 +/- 1.55   0.003% *  0.1948% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  26.19 +/- 1.23   0.000% *  1.0411% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.34, residual support = 27.9:
      O   HB2   CYS   21 - HN    CYS   21   2.55 +/- 0.34  99.965% * 99.8975% (0.90  10.0   3.34  27.95) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  11.93 +/- 0.42   0.012% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.46 +/- 0.95   0.019% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  14.47 +/- 0.71   0.004% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  20.91 +/- 1.21   0.000% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  23.29 +/- 1.03   0.000% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.33, residual support = 27.9:
      O   HB3   CYS   21 - HN    CYS   21   3.46 +/- 0.25  99.942% * 99.8170% (0.53  10.0   3.33  27.95) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  14.47 +/- 1.10   0.023% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.57 +/- 0.93   0.033% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  22.04 +/- 0.77   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.297, support = 0.0196, residual support = 0.0196:
          HG    LEU  123 - HN    ILE  119   6.81 +/- 0.72  41.804% *  3.5886% (0.32   0.02   0.02) =  57.324%  kept
          QB    LYS+  66 - HN    ILE  119   8.09 +/- 1.26  19.388% *  2.1815% (0.19   0.02   0.02) =  16.161%  kept
          HB3   ASP- 105 - HN    ILE  119   7.22 +/- 0.70  30.031% *  1.1101% (0.10   0.02   0.02) =  12.738%  kept
          HB    VAL   41 - HN    CYS   21  11.62 +/- 1.16   1.899% *  9.1141% (0.80   0.02   0.02) =   6.615%  kept
          QB    LYS+  33 - HN    CYS   21  10.72 +/- 0.49   2.531% *  2.5341% (0.22   0.02   0.02) =   2.451%  kept
          HG12  ILE  103 - HN    CYS   21  16.55 +/- 2.14   0.215% * 10.5070% (0.92   0.02   0.02) =   0.862%  kept
          QB    LYS+  66 - HN    CYS   21  15.78 +/- 0.78   0.249% *  6.9036% (0.61   0.02   0.02) =   0.657%  kept
          HG2   PRO   93 - HN    ILE  119  12.70 +/- 1.62   1.142% *  1.2268% (0.11   0.02   0.02) =   0.535%  kept
          HG12  ILE  103 - HN    ILE  119  14.55 +/- 1.04   0.417% *  3.3201% (0.29   0.02   0.02) =   0.529%  kept
          HB3   PRO   52 - HN    ILE  119  16.58 +/- 1.16   0.205% *  3.5886% (0.32   0.02   0.02) =   0.281%
          HB    VAL   41 - HN    ILE  119  16.09 +/- 1.05   0.224% *  2.8799% (0.25   0.02   0.02) =   0.247%
          HG3   PRO   68 - HN    ILE  119  15.12 +/- 1.84   0.408% *  1.4786% (0.13   0.02   0.02) =   0.230%
          HB    ILE  103 - HN    ILE  119  15.12 +/- 0.92   0.325% *  1.3499% (0.12   0.02   0.02) =   0.168%
          HB3   PRO   52 - HN    CYS   21  21.47 +/- 0.97   0.038% * 11.3569% (1.00   0.02   0.02) =   0.166%
          HG2   PRO   93 - HN    CYS   21  18.42 +/- 1.28   0.104% *  3.8825% (0.34   0.02   0.02) =   0.154%
          HB    ILE  103 - HN    CYS   21  19.08 +/- 1.56   0.084% *  4.2718% (0.38   0.02   0.02) =   0.137%
          HG3   PRO   68 - HN    CYS   21  19.17 +/- 0.73   0.076% *  4.6793% (0.41   0.02   0.02) =   0.136%
          HG2   ARG+  54 - HN    CYS   21  19.25 +/- 1.63   0.080% *  3.8825% (0.34   0.02   0.02) =   0.118%
          HG    LEU  123 - HN    CYS   21  23.26 +/- 1.15   0.024% * 11.3569% (1.00   0.02   0.02) =   0.104%
          HB3   ASP- 105 - HN    CYS   21  19.60 +/- 1.30   0.071% *  3.5131% (0.31   0.02   0.02) =   0.095%
          QB    LYS+ 102 - HN    CYS   21  18.50 +/- 0.87   0.095% *  1.9934% (0.18   0.02   0.02) =   0.072%
          QB    LYS+ 102 - HN    ILE  119  15.52 +/- 1.09   0.290% *  0.6299% (0.06   0.02   0.02) =   0.070%
          HG2   ARG+  54 - HN    ILE  119  17.90 +/- 1.56   0.144% *  1.2268% (0.11   0.02   0.02) =   0.067%
          HB3   GLN   90 - HN    CYS   21  19.02 +/- 1.37   0.083% *  1.9934% (0.18   0.02   0.02) =   0.063%
          QB    LYS+  33 - HN    ILE  119  21.55 +/- 0.74   0.036% *  0.8007% (0.07   0.02   0.02) =   0.011%
          HB3   GLN   90 - HN    ILE  119  21.71 +/- 1.32   0.038% *  0.6299% (0.06   0.02   0.02) =   0.009%
    Distance limit 3.56 A violated in 20 structures by 2.20 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.556, support = 5.28, residual support = 134.4:
          QB    ALA   20 - HN    CYS   21   3.60 +/- 0.01  40.506% * 56.4813% (0.80   3.63  14.27) =  50.185%  kept
          HG13  ILE  119 - HN    ILE  119   3.42 +/- 0.29  54.255% * 41.8532% (0.31   6.95 255.51) =  49.810%  kept
          QG2   VAL  107 - HN    ILE  119   5.65 +/- 0.75   3.871% *  0.0273% (0.07   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    ILE  119   6.90 +/- 0.60   0.923% *  0.0505% (0.13   0.02   2.92) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.27 +/- 0.45   0.284% *  0.1200% (0.31   0.02   0.02) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.05 +/- 0.47   0.030% *  0.3752% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119  10.15 +/- 1.43   0.117% *  0.0505% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  17.74 +/- 1.19   0.003% *  0.3810% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.60 +/- 0.87   0.006% *  0.0865% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.24 +/- 1.23   0.003% *  0.0984% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  21.49 +/- 0.99   0.001% *  0.1185% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.82 +/- 1.26   0.000% *  0.1598% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  24.68 +/- 1.53   0.000% *  0.1598% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.11 +/- 1.90   0.001% *  0.0379% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.543, support = 1.92, residual support = 6.84:
          QD2   LEU   73 - HN    CYS   21   4.89 +/- 0.45  54.468% * 78.7040% (0.57   1.99   7.31) =  93.488%  kept
          QD1   ILE   19 - HN    CYS   21   5.91 +/- 0.69  20.696% * 13.5032% (0.22   0.87   0.02) =   6.094%  kept
          QG2   VAL   18 - HN    CYS   21   7.14 +/- 1.31  10.548% *  0.9024% (0.65   0.02   0.02) =   0.208%
          QG1   VAL   43 - HN    CYS   21   7.83 +/- 1.07   3.924% *  1.2101% (0.87   0.02   0.02) =   0.104%
          QG2   THR   46 - HN    CYS   21   8.17 +/- 0.70   2.792% *  0.7339% (0.53   0.02   0.02) =   0.045%
          QG1   VAL   41 - HN    CYS   21  10.06 +/- 0.83   0.750% *  1.3674% (0.98   0.02   0.02) =   0.022%
          HG    LEU   31 - HN    CYS   21  10.00 +/- 0.99   0.832% *  1.0130% (0.73   0.02   0.02) =   0.018%
          QD1   ILE   56 - HN    ILE  119   7.41 +/- 0.71   5.225% *  0.1361% (0.10   0.02   0.02) =   0.016%
          QG1   VAL   43 - HN    ILE  119  12.56 +/- 0.49   0.190% *  0.3824% (0.27   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    ILE  119  12.67 +/- 1.17   0.220% *  0.2852% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE  119  14.39 +/- 0.64   0.083% *  0.4321% (0.31   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  14.19 +/- 1.38   0.103% *  0.2319% (0.17   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  14.47 +/- 0.88   0.090% *  0.2496% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    CYS   21  16.56 +/- 0.82   0.036% *  0.4306% (0.31   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  16.97 +/- 1.28   0.034% *  0.0981% (0.07   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  20.81 +/- 1.16   0.010% *  0.3201% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 1 structures by 0.24 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.364, support = 4.1, residual support = 6.8:
          QD1   LEU   73 - HN    CYS   21   5.33 +/- 0.73  10.757% * 79.5605% (0.53   4.65   7.31) =  62.471%  kept
          QD2   LEU  115 - HN    ILE  119   4.09 +/- 0.62  42.274% *  8.7817% (0.07   3.83   7.67) =  27.099%  kept
          QD1   LEU   63 - HN    ILE  119   5.01 +/- 0.67  15.631% *  8.7154% (0.17   1.61   1.59) =   9.944%  kept
          QD2   LEU   63 - HN    ILE  119   4.89 +/- 1.00  21.150% *  0.2053% (0.32   0.02   1.59) =   0.317%
          QD1   LEU   80 - HN    CYS   21   6.58 +/- 1.13   4.517% *  0.2919% (0.45   0.02   0.02) =   0.096%
          QD2   LEU   80 - HN    CYS   21   6.52 +/- 1.60   4.616% *  0.1288% (0.20   0.02   0.02) =   0.043%
          QG2   VAL   41 - HN    CYS   21   8.64 +/- 1.02   0.625% *  0.4211% (0.65   0.02   0.02) =   0.019%
          QD2   LEU   98 - HN    CYS   21  10.43 +/- 0.79   0.176% *  0.2919% (0.45   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    CYS   21  12.96 +/- 1.11   0.071% *  0.6496% (1.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    CYS   21  12.05 +/- 0.75   0.075% *  0.3425% (0.53   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    ILE  119  12.78 +/- 0.83   0.047% *  0.0922% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  13.73 +/- 0.68   0.028% *  0.1331% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  15.37 +/- 0.61   0.014% *  0.1082% (0.17   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  17.22 +/- 1.62   0.009% *  0.1449% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  19.38 +/- 1.39   0.004% *  0.0922% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  19.05 +/- 1.81   0.005% *  0.0407% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.286, support = 5.66, residual support = 35.3:
          HN    THR  118 - HN    ILE  119   2.67 +/- 0.12  96.040% * 53.6369% (0.28   5.76  35.96) =  96.914%  kept
          HN    GLN  116 - HN    ILE  119   4.63 +/- 0.21   3.691% * 44.4060% (0.53   2.52  14.55) =   3.083%  kept
          HN    GLU- 114 - HN    ILE  119   7.65 +/- 0.36   0.187% *  0.6336% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.35 +/- 0.78   0.063% *  0.0906% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  11.98 +/- 0.55   0.013% *  0.2002% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  15.77 +/- 0.81   0.002% *  0.6336% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  14.65 +/- 1.33   0.004% *  0.0286% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  24.17 +/- 0.87   0.000% *  0.2002% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.57 +/- 1.00   0.000% *  0.1114% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.79 +/- 0.92   0.000% *  0.0588% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.611, support = 2.6, residual support = 15.7:
          HN    HIS  122 - HN    ILE  119   5.15 +/- 0.09  23.205% * 75.3561% (1.00   2.20  13.52) =  50.060%  kept
          QE    PHE   59 - HN    ILE  119   4.09 +/- 0.71  75.953% * 22.9635% (0.22   3.00  17.98) =  49.932%  kept
          HN    PHE   59 - HN    ILE  119   9.20 +/- 0.99   0.679% *  0.3893% (0.57   0.02  17.98) =   0.008%
          HH2   TRP   87 - HN    CYS   21  13.50 +/- 1.13   0.078% *  0.2168% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  18.75 +/- 1.17   0.011% *  0.6861% (1.00   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  14.83 +/- 2.68   0.053% *  0.0484% (0.07   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  17.23 +/- 1.30   0.017% *  0.1230% (0.18   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.20 +/- 0.72   0.005% *  0.2168% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.3:
          HN    ALA   20 - HN    CYS   21   4.15 +/- 0.08  99.994% * 99.7794% (0.95   2.86  14.27) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.10 +/- 1.06   0.006% *  0.2206% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 55.0:
        T HN    ALA  120 - HN    ILE  119   2.60 +/- 0.06  99.028% * 99.4047% (1.00 10.00   5.55  55.04) =  99.999%  kept
          HE21  GLN  116 - HN    ILE  119   6.34 +/- 1.12   0.915% *  0.0796% (0.80  1.00   0.02  14.55) =   0.001%
          HN    ALA   57 - HN    ILE  119  12.19 +/- 1.10   0.011% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.65 +/- 0.17   0.021% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.78 +/- 2.09   0.022% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.24 +/- 0.70   0.000% *  0.3141% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  17.19 +/- 1.30   0.001% *  0.0228% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  20.42 +/- 1.58   0.000% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  18.92 +/- 2.30   0.001% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  23.10 +/- 2.12   0.000% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  23.97 +/- 1.91   0.000% *  0.0252% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  24.47 +/- 1.30   0.000% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.3, residual support = 36.0:
          HB    THR  118 - HN    ILE  119   2.90 +/- 0.24  99.959% * 98.0465% (0.98   5.30  35.96) = 100.000%  kept
          HB    THR   39 - HN    CYS   21  14.26 +/- 0.96   0.009% *  0.0912% (0.24   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  17.92 +/- 1.19   0.002% *  0.3387% (0.90   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  15.35 +/- 1.67   0.008% *  0.0867% (0.23   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  15.39 +/- 0.64   0.005% *  0.1070% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  13.91 +/- 1.07   0.010% *  0.0491% (0.13   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  19.13 +/- 0.89   0.001% *  0.2886% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  16.48 +/- 0.50   0.003% *  0.1070% (0.28   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  22.41 +/- 1.10   0.001% *  0.3387% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.84 +/- 1.10   0.001% *  0.1170% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  23.00 +/- 1.36   0.000% *  0.2742% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  26.01 +/- 0.96   0.000% *  0.1553% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.78, residual support = 255.5:
          HG12  ILE  119 - HN    ILE  119   2.21 +/- 0.23  99.618% * 97.7117% (0.90   7.78 255.51) = 100.000%  kept
          HB2   ASP- 105 - HN    ILE  119   6.69 +/- 0.82   0.226% *  0.0379% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.10 +/- 0.68   0.057% *  0.0854% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   8.29 +/- 0.83   0.056% *  0.0794% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.52 +/- 0.77   0.021% *  0.0466% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  12.78 +/- 0.87   0.003% *  0.2513% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  11.55 +/- 1.55   0.009% *  0.0817% (0.29   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.00 +/- 0.57   0.002% *  0.2704% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.44 +/- 1.50   0.005% *  0.0709% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  15.68 +/- 1.63   0.001% *  0.0878% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.24 +/- 1.18   0.000% *  0.2244% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  19.18 +/- 1.35   0.000% *  0.2777% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  16.98 +/- 1.15   0.001% *  0.1152% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  21.77 +/- 1.17   0.000% *  0.2586% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.68 +/- 0.77   0.000% *  0.0794% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  18.94 +/- 2.23   0.000% *  0.0302% (0.11   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  20.69 +/- 1.45   0.000% *  0.0364% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  26.86 +/- 0.82   0.000% *  0.1474% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.58 +/- 1.14   0.000% *  0.0120% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  27.93 +/- 1.65   0.000% *  0.0956% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.54, residual support = 255.5:
      O   HB    ILE  119 - HN    ILE  119   2.37 +/- 0.12  98.966% * 99.0354% (0.92  10.0   7.54 255.51) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   6.28 +/- 1.27   0.782% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.08 +/- 0.52   0.160% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.45 +/- 0.78   0.027% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  12.01 +/- 0.78   0.006% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  12.22 +/- 1.64   0.010% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21   9.69 +/- 0.26   0.023% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.74 +/- 0.58   0.012% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  16.24 +/- 1.34   0.001% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.30 +/- 0.87   0.006% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.53 +/- 1.06   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  20.03 +/- 1.24   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  18.12 +/- 1.37   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.03 +/- 0.80   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  17.91 +/- 0.89   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  22.64 +/- 1.37   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.87 +/- 1.40   0.001% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  16.33 +/- 1.14   0.001% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  19.75 +/- 1.14   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  19.31 +/- 1.22   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.45 +/- 0.85   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  20.42 +/- 1.31   0.000% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.17 +/- 0.85   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  28.41 +/- 0.81   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.913, support = 6.58, residual support = 231.3:
          HG13  ILE  119 - HN    ILE  119   3.42 +/- 0.29  43.073% * 84.9867% (0.99   6.95 255.51) =  90.148%  kept
          QB    ALA   20 - HN    CYS   21   3.60 +/- 0.01  30.690% *  8.5784% (0.19   3.63  14.27) =   6.483%  kept
          QG1   VAL  107 - HN    ILE  119   3.95 +/- 0.66  25.168% *  5.4328% (0.20   2.23   0.02) =   3.367%  kept
          HG2   LYS+ 121 - HN    ILE  119   6.90 +/- 0.60   0.734% *  0.0615% (0.25   0.02   2.92) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119  10.15 +/- 1.43   0.086% *  0.1496% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   8.27 +/- 0.45   0.216% *  0.0379% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.05 +/- 0.47   0.022% *  0.0778% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.24 +/- 1.23   0.002% *  0.1496% (0.61   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  17.74 +/- 1.19   0.002% *  0.0773% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  21.49 +/- 0.99   0.001% *  0.2461% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.11 +/- 1.90   0.001% *  0.1201% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.01 +/- 0.64   0.004% *  0.0154% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  24.68 +/- 1.53   0.000% *  0.0473% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.82 +/- 1.26   0.000% *  0.0194% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.485, support = 0.0198, residual support = 5.11:
          HG3   LYS+  74 - HN    CYS   21   5.53 +/- 0.74  64.038% *  3.7747% (0.23   0.02  10.15) =  47.738%  kept
          QD1   LEU   67 - HN    ILE  119   8.61 +/- 2.11   8.940% * 15.1858% (0.92   0.02   0.02) =  26.812%  kept
          HB    VAL   75 - HN    CYS   21   7.36 +/- 0.66  13.060% *  3.9726% (0.24   0.02   2.48) =  10.246%  kept
          QD2   LEU   40 - HN    ILE  119  10.12 +/- 0.86   2.230% * 15.5616% (0.95   0.02   0.02) =   6.854%  kept
          QG2   ILE  103 - HN    ILE  119  10.74 +/- 0.74   1.427% * 13.7407% (0.84   0.02   0.02) =   3.873%  kept
          QD2   LEU   71 - HN    CYS   21   8.15 +/- 0.71   7.442% *  1.2962% (0.08   0.02   0.02) =   1.905%  kept
          QD1   LEU   67 - HN    CYS   21  12.37 +/- 1.65   1.223% *  4.7985% (0.29   0.02   0.02) =   1.159%  kept
          QD2   LEU   40 - HN    CYS   21  12.50 +/- 1.42   0.568% *  4.9173% (0.30   0.02   0.02) =   0.552%  kept
          QD1   ILE  103 - HN    ILE  119  13.29 +/- 0.97   0.428% *  2.8810% (0.18   0.02   0.02) =   0.243%
          HB    VAL   75 - HN    ILE  119  17.05 +/- 0.88   0.081% * 12.5720% (0.76   0.02   0.02) =   0.202%
          HG3   LYS+  74 - HN    ILE  119  17.62 +/- 1.12   0.067% * 11.9456% (0.73   0.02   0.02) =   0.158%
          QG2   ILE  103 - HN    CYS   21  15.72 +/- 0.97   0.128% *  4.3419% (0.26   0.02   0.02) =   0.110%
          QD2   LEU   71 - HN    ILE  119  15.67 +/- 0.56   0.132% *  4.1020% (0.25   0.02   0.02) =   0.107%
          QD1   ILE  103 - HN    CYS   21  14.42 +/- 1.64   0.236% *  0.9104% (0.06   0.02   0.02) =   0.042%
    Distance limit 3.50 A violated in 19 structures by 1.57 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.5, residual support = 36.0:
          QG2   THR  118 - HN    ILE  119   3.32 +/- 0.30  99.987% * 99.9029% (0.57   6.50  35.96) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.20 +/- 0.99   0.013% *  0.0971% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.798, support = 4.04, residual support = 50.3:
          QB    ALA  120 - HN    ILE  119   4.17 +/- 0.08  57.176% * 67.8393% (0.80   4.39  55.04) =  90.048%  kept
          HG    LEU  115 - HN    ILE  119   5.36 +/- 0.88  17.712% * 12.3728% (0.80   0.80   7.67) =   5.088%  kept
          HB3   LEU  115 - HN    ILE  119   5.49 +/- 0.63  13.089% * 12.0608% (0.95   0.66   7.67) =   3.665%  kept
          HG    LEU   73 - HN    CYS   21   6.17 +/- 1.08   9.488% *  5.4041% (0.15   1.82   7.31) =   1.190%  kept
          QG    LYS+  66 - HN    ILE  119   8.22 +/- 1.47   1.773% *  0.1191% (0.31   0.02   0.02) =   0.005%
          HG    LEU   67 - HN    ILE  119  11.00 +/- 2.12   0.322% *  0.3824% (0.99   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE  119  12.62 +/- 1.01   0.086% *  0.3650% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  13.88 +/- 1.08   0.047% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.01 +/- 1.48   0.130% *  0.0676% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.26 +/- 2.31   0.045% *  0.1208% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.27 +/- 1.22   0.026% *  0.1153% (0.30   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.32 +/- 1.48   0.013% *  0.1878% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.72 +/- 1.71   0.009% *  0.2340% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  15.83 +/- 0.95   0.020% *  0.0690% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.05 +/- 0.96   0.007% *  0.1153% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  14.87 +/- 1.22   0.032% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  20.26 +/- 1.71   0.005% *  0.0976% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  16.94 +/- 0.94   0.013% *  0.0376% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.55 +/- 0.58   0.004% *  0.0976% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.04 +/- 1.25   0.004% *  0.0739% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.73, residual support = 2.47:
          QG2   VAL   75 - HN    CYS   21   5.53 +/- 0.71  87.587% * 98.2213% (1.00   1.73   2.48) =  99.932%  kept
          QG2   VAL   42 - HN    ILE  119   8.27 +/- 0.70   9.949% *  0.3408% (0.30   0.02   0.02) =   0.039%
          QG2   VAL   42 - HN    CYS   21  10.82 +/- 0.66   2.151% *  1.0784% (0.95   0.02   0.02) =   0.027%
          QG2   VAL   75 - HN    ILE  119  14.87 +/- 0.85   0.313% *  0.3594% (0.32   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 13 structures by 1.18 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.22 +/- 0.11  99.997% * 99.6430% (0.84  10.0   3.73  15.23) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.95 +/- 0.80   0.001% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.46 +/- 0.59   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.11 +/- 1.43   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.66 +/- 1.86   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.69 +/- 1.47   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 25.4:
          QG2   ILE   19 - HN    ALA   20   2.52 +/- 0.39  99.995% * 99.7547% (0.99   3.68  25.44) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.52 +/- 0.74   0.005% *  0.2453% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 6.01, residual support = 175.4:
      O   HB    ILE   19 - HN    ILE   19   2.48 +/- 0.24  99.325% * 99.4048% (0.97  10.0   6.01 175.42) =  99.999%  kept
          HB2   GLN   17 - HN    ILE   19   6.05 +/- 0.42   0.567% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.25 +/- 0.53   0.088% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.29 +/- 0.78   0.005% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  12.42 +/- 1.53   0.010% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  14.87 +/- 0.47   0.003% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.96 +/- 1.11   0.001% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  16.82 +/- 1.47   0.002% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.21 +/- 0.82   0.001% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.47 +/- 1.16   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.724, support = 6.18, residual support = 169.8:
          HG12  ILE   19 - HN    ILE   19   3.46 +/- 0.65  81.194% * 68.1777% (0.73   6.33 175.42) =  96.701%  kept
          HG    LEU   73 - HN    ILE   19   6.11 +/- 0.70   5.712% * 25.8422% (0.80   2.17   4.00) =   2.578%  kept
          HB3   LYS+  74 - HN    ILE   19   5.40 +/- 0.75  10.099% *  4.0267% (0.18   1.55   8.15) =   0.710%  kept
          QB    ALA   61 - HN    ILE   19   7.75 +/- 1.38   1.094% *  0.2865% (0.97   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE   19   9.74 +/- 1.40   0.416% *  0.2968% (1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE   19  10.20 +/- 2.45   1.268% *  0.0661% (0.22   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ILE   19  12.38 +/- 0.87   0.054% *  0.2808% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  12.92 +/- 1.10   0.048% *  0.2479% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  12.07 +/- 1.27   0.062% *  0.0916% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  13.60 +/- 0.80   0.031% *  0.0916% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  17.02 +/- 1.16   0.008% *  0.2377% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  16.66 +/- 0.85   0.008% *  0.0916% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  19.99 +/- 1.01   0.003% *  0.2039% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.64 +/- 1.57   0.004% *  0.0587% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 174.1:
          HG13  ILE   19 - HN    ILE   19   3.26 +/- 0.79  86.872% * 90.0485% (0.97   6.01 175.42) =  99.202%  kept
          HG2   LYS+  74 - HN    ILE   19   6.11 +/- 1.37   7.246% *  8.4504% (0.99   0.55   8.15) =   0.776%  kept
          HG    LEU   71 - HN    ILE   19   7.22 +/- 1.41   5.253% *  0.3045% (0.98   0.02   0.02) =   0.020%
          QG2   THR   39 - HN    ILE   19   9.17 +/- 0.72   0.319% *  0.2134% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   9.37 +/- 0.42   0.235% *  0.0420% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.34 +/- 0.97   0.053% *  0.0775% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  16.46 +/- 1.27   0.007% *  0.3100% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  18.45 +/- 0.69   0.004% *  0.2134% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  17.17 +/- 0.87   0.007% *  0.1166% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.23 +/- 0.99   0.004% *  0.1277% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  23.42 +/- 1.14   0.001% *  0.0959% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.9, residual support = 22.4:
          QG1   VAL   18 - HN    ILE   19   2.87 +/- 0.28  98.905% * 96.4293% (0.34   4.90  22.42) =  99.991%  kept
          QD1   LEU   71 - HN    ILE   19   6.91 +/- 1.04   0.916% *  0.7923% (0.69   0.02   0.02) =   0.008%
          QG1   VAL   70 - HN    ILE   19   8.84 +/- 0.83   0.163% *  0.5171% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  14.18 +/- 1.26   0.009% *  0.7923% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.77 +/- 1.01   0.002% *  1.1131% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  15.77 +/- 1.37   0.005% *  0.3560% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.775, support = 4.95, residual support = 84.1:
          QG2   VAL   18 - HN    ILE   19   3.87 +/- 0.66  32.317% * 57.5056% (0.97   4.85  22.42) =  55.519%  kept
          QD1   ILE   19 - HN    ILE   19   3.84 +/- 0.82  36.356% * 37.5242% (0.57   5.40 175.42) =  40.756%  kept
          QD2   LEU   73 - HN    ILE   19   4.04 +/- 0.65  30.351% *  4.1015% (0.22   1.50   4.00) =   3.719%  kept
          QG1   VAL   43 - HN    ILE   19   8.02 +/- 0.62   0.467% *  0.2435% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ILE   19   8.94 +/- 1.01   0.298% *  0.2203% (0.90   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    ILE   19   9.29 +/- 0.55   0.159% *  0.2203% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  11.64 +/- 0.72   0.041% *  0.0838% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  14.85 +/- 1.36   0.012% *  0.1010% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.692, support = 4.23, residual support = 24.4:
          HG12  ILE   19 - HN    ALA   20   4.67 +/- 0.88  53.797% * 84.1197% (0.73   4.41  25.44) =  93.977%  kept
          HB3   LYS+  74 - HN    ALA   20   4.99 +/- 0.54  41.080% *  6.5542% (0.18   1.43   8.18) =   5.591%  kept
          HG    LEU   73 - HN    ALA   20   8.25 +/- 1.04   3.415% *  5.8715% (0.80   0.28   0.02) =   0.416%
          QB    ALA   61 - HN    ALA   20   9.73 +/- 1.63   1.024% *  0.5066% (0.97   0.02   0.02) =   0.011%
          HG    LEU   80 - HN    ALA   20  11.91 +/- 1.10   0.211% *  0.4385% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   20  13.98 +/- 1.45   0.092% *  0.5250% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  12.72 +/- 0.67   0.132% *  0.1620% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   20  15.88 +/- 0.91   0.036% *  0.4966% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  14.45 +/- 2.53   0.146% *  0.1169% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  16.11 +/- 1.25   0.038% *  0.1620% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  18.96 +/- 1.29   0.013% *  0.4204% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.06 +/- 1.11   0.009% *  0.1620% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  23.17 +/- 1.08   0.004% *  0.3606% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.85 +/- 1.60   0.003% *  0.1039% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.298, support = 2.59, residual support = 9.28:
          HB3   LYS+  74 - HN    CYS   21   3.30 +/- 0.73  79.788% * 14.2051% (0.18   2.82  10.15) =  78.697%  kept
          HG    LEU   73 - HN    CYS   21   6.17 +/- 1.08   5.708% * 41.9492% (0.80   1.82   7.31) =  16.626%  kept
          HG12  ILE   19 - HN    CYS   21   6.90 +/- 0.30   1.422% * 36.7567% (0.73   1.76   0.02) =   3.629%  kept
          HB3   LEU  115 - HN    ILE  119   5.49 +/- 0.63   7.647% *  1.8541% (0.10   0.66   7.67) =   0.984%  kept
          HG    LEU   80 - HN    CYS   21   7.99 +/- 1.07   1.025% *  0.4805% (0.84   0.02   0.02) =   0.034%
          QG    LYS+  66 - HN    ILE  119   8.22 +/- 1.47   0.800% *  0.1720% (0.30   0.02   0.02) =   0.010%
          HD3   LYS+ 121 - HN    ILE  119   6.49 +/- 0.82   2.600% *  0.0360% (0.06   0.02   2.92) =   0.006%
          HB2   LEU   80 - HN    CYS   21   8.83 +/- 0.65   0.381% *  0.1776% (0.31   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    CYS   21  10.80 +/- 1.43   0.085% *  0.5552% (0.97   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    ILE  119  11.04 +/- 0.80   0.089% *  0.1754% (0.30   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  119  10.68 +/- 0.83   0.103% *  0.1456% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  12.01 +/- 1.48   0.067% *  0.1818% (0.32   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  14.87 +/- 1.22   0.016% *  0.5753% (1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE  119  11.00 +/- 2.12   0.148% *  0.0405% (0.07   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  16.94 +/- 0.94   0.006% *  0.5442% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  12.62 +/- 1.01   0.052% *  0.0561% (0.10   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.26 +/- 2.31   0.023% *  0.1281% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  17.63 +/- 1.00   0.005% *  0.4606% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.27 +/- 1.22   0.011% *  0.1776% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.32 +/- 1.48   0.007% *  0.1456% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  21.04 +/- 1.25   0.002% *  0.3952% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.05 +/- 0.96   0.003% *  0.1776% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.72 +/- 1.71   0.004% *  0.1249% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  19.41 +/- 1.73   0.003% *  0.1320% (0.23   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  22.95 +/- 1.63   0.001% *  0.1518% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.73 +/- 1.46   0.001% *  0.1138% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.55 +/- 0.83   0.004% *  0.0318% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  22.84 +/- 1.36   0.001% *  0.0561% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.3:
      O   QG    GLN   17 - HE21  GLN   17   2.19 +/- 0.09  99.994% * 99.5957% (0.48  10.0   3.17  84.34) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.31 +/- 1.65   0.005% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  19.23 +/- 2.68   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  20.78 +/- 2.66   0.000% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  19.08 +/- 3.15   0.000% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.35 +/- 1.36   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.73 +/- 2.09   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.47, residual support = 50.1:
        T HN    VAL   18 - HN    GLN   17   4.42 +/- 0.02  99.345% * 99.9055% (0.73 10.00   5.47  50.08) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.32 +/- 0.58   0.655% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.21 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.47, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.42 +/- 0.02  99.832% * 99.7850% (0.89 10.00   5.47  50.08) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.14 +/- 0.90   0.160% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  21.31 +/- 0.88   0.008% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.25, residual support = 8.15:
        T HN    LYS+  74 - HN    ILE   19   4.67 +/- 0.68  99.480% * 99.4791% (0.41 10.00   3.25   8.15) =  99.999%  kept
          HN    THR   46 - HN    ILE   19  11.92 +/- 0.39   0.455% *  0.2021% (0.84  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE   19  20.53 +/- 0.84   0.018% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  19.29 +/- 1.74   0.036% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.91 +/- 0.85   0.011% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 3 structures by 0.42 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.817, support = 2.81, residual support = 3.3:
          HN    THR   26 - HN    VAL   24   4.56 +/- 0.12  65.704% * 86.2852% (0.87   2.88   2.67) =  92.535%  kept
          HN    LEU   80 - HN    VAL   24   5.18 +/- 0.55  34.228% * 13.3617% (0.20   1.95  11.11) =   7.465%  kept
          HN    ALA   34 - HN    VAL   24  14.76 +/- 0.37   0.058% *  0.0936% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  20.06 +/- 1.04   0.010% *  0.2595% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 4.31, residual support = 25.8:
          HN    THR   23 - HN    VAL   24   4.53 +/- 0.12  70.610% * 94.7816% (0.98   4.38  25.83) =  98.393%  kept
          HE3   TRP   27 - HN    VAL   24   6.20 +/- 1.87  28.302% *  3.8586% (0.76   0.23  24.86) =   1.606%  kept
          HD2   HIS   22 - HN    VAL   24   9.24 +/- 0.19   1.020% *  0.0984% (0.22   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    VAL   24  15.55 +/- 1.50   0.041% *  0.4380% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  18.31 +/- 1.18   0.018% *  0.1507% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  23.14 +/- 1.47   0.004% *  0.3691% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  22.17 +/- 1.16   0.005% *  0.3036% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 6.14:
          HE1   TRP   87 - HE1   TRP   27   5.83 +/- 1.95 100.000% *100.0000% (0.53   0.75   6.14) = 100.000%  kept
    Distance limit 3.99 A violated in 12 structures by 1.97 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.8:
        T HN    ALA   34 - HN    ASN   35   2.71 +/- 0.01  97.180% * 98.9220% (0.98 10.00   4.04  18.79) =  99.998%  kept
          HN    GLN   32 - HN    ASN   35   4.91 +/- 0.17   2.819% *  0.0531% (0.53  1.00   0.02   5.83) =   0.002%
        T HN    LEU   80 - HN    ASN   35  20.16 +/- 0.52   0.001% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.70 +/- 1.01   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  28.92 +/- 0.69   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 19.1:
        T HN    SER   37 - HN    GLU-  36   2.41 +/- 0.04  99.999% * 99.7690% (0.98 10.00   3.97  19.09) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  15.97 +/- 0.39   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  24.37 +/- 1.13   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  24.80 +/- 0.83   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.32, residual support = 22.9:
        T HN    LYS+  38 - HN    THR   39   2.67 +/- 0.09  99.959% * 99.8693% (1.00 10.00   5.32  22.87) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.88 +/- 0.35   0.040% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.09 +/- 0.72   0.001% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  29.20 +/- 0.50   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   3.44 +/- 0.36  99.450% * 99.8546% (0.76   4.00  16.41) =  99.999%  kept
          HN    PHE   72 - HN    VAL   43   8.39 +/- 0.27   0.550% *  0.1454% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.81, residual support = 6.52:
          HN    LEU   73 - HN    ASP-  44   3.93 +/- 0.30  94.944% * 68.4569% (0.38   3.86   6.68) =  97.721%  kept
          HN    VAL   42 - HN    ASP-  44   6.51 +/- 0.16   4.951% * 30.5992% (0.38   1.72   0.02) =   2.278%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.47 +/- 0.32   0.105% *  0.9439% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.67, residual support = 34.9:
          HN    VAL   42 - HN    VAL   43   4.35 +/- 0.13  67.624% * 75.4965% (0.38   6.22  38.91) =  87.078%  kept
          HN    LEU   73 - HN    VAL   43   4.99 +/- 0.37  31.736% * 23.8586% (0.38   1.97   7.61) =  12.915%  kept
          HN    LYS+ 106 - HN    VAL   43   9.50 +/- 0.22   0.639% *  0.6449% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.804, support = 0.02, residual support = 0.02:
          HN    LEU   63 - HN    ASP-  44   9.95 +/- 0.59  57.101% * 15.3753% (0.65   0.02   0.02) =  47.864%  kept
          HN    ALA   84 - HN    ASP-  44  11.39 +/- 0.41  26.077% * 23.7147% (1.00   0.02   0.02) =  33.714%  kept
          HN    ILE   56 - HN    ASP-  44  13.34 +/- 0.55   9.902% * 18.1638% (0.76   0.02   0.02) =   9.805%  kept
          HN    LYS+ 111 - HN    ASP-  44  14.77 +/- 1.18   5.628% * 23.7147% (1.00   0.02   0.02) =   7.276%  kept
          HE21  GLN   32 - HN    ASP-  44  18.89 +/- 0.88   1.292% * 19.0315% (0.80   0.02   0.02) =   1.341%  kept
    Distance limit 4.18 A violated in 20 structures by 4.86 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.455, support = 0.701, residual support = 2.74:
          QD    PHE   60 - HN    ASP-  44   5.59 +/- 0.62  85.474% * 46.2162% (0.41   0.75   3.02) =  90.757%  kept
          QE    PHE   59 - HN    ASP-  44   8.78 +/- 2.72  12.233% * 31.3845% (0.92   0.23   0.02) =   8.821%  kept
          HN    PHE   59 - HN    ASP-  44  12.23 +/- 0.82   0.805% * 19.2483% (0.57   0.23   0.02) =   0.356%
          HN    LYS+  66 - HN    ASP-  44  12.46 +/- 0.63   0.990% *  2.6885% (0.90   0.02   0.02) =   0.061%
          HN    LYS+  81 - HN    ASP-  44  13.67 +/- 0.56   0.497% *  0.4625% (0.15   0.02   0.02) =   0.005%
    Distance limit 4.47 A violated in 10 structures by 1.00 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.652, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.06 +/- 0.95  84.753% * 29.1578% (0.63   0.02   0.02) =  81.882%  kept
          HD21  ASN   69 - HN    ASP-  62  15.45 +/- 1.10  13.331% * 36.0114% (0.77   0.02   0.02) =  15.907%  kept
          HN    TRP   87 - HN    ASP-  62  21.07 +/- 0.53   1.915% * 34.8308% (0.75   0.02   0.02) =   2.211%  kept
    Distance limit 3.38 A violated in 20 structures by 7.36 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.86, residual support = 42.5:
        T HN    LEU   63 - HN    ASP-  62   2.61 +/- 0.10  99.947% * 98.0197% (0.32 10.00   5.86  42.51) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.51 +/- 0.47   0.045% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  13.44 +/- 1.86   0.007% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  21.10 +/- 0.62   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  27.52 +/- 1.11   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.924, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   8.21 +/- 0.34  98.617% * 48.0011% (0.92   0.02   0.02) =  98.504%  kept
          HN    ALA  110 - HN    LEU   73  17.01 +/- 1.48   1.383% * 51.9989% (1.00   0.02   0.02) =   1.496%  kept
    Distance limit 3.95 A violated in 20 structures by 4.25 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 3.9, residual support = 20.8:
          HN    VAL   75 - HN    ASP-  76   4.27 +/- 0.10  74.186% * 48.6728% (0.28   4.64  27.28) =  73.371%  kept
          HN    ASP-  78 - HN    ASP-  76   5.12 +/- 0.20  25.808% * 50.7793% (0.73   1.85   3.06) =  26.629%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.95 +/- 0.93   0.004% *  0.3382% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  27.99 +/- 2.85   0.001% *  0.2097% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 27.9:
        T HN    LYS+ 111 - HN    LYS+ 112   4.32 +/- 0.12  97.567% * 99.6886% (0.87 10.00   5.34  27.89) =  99.999%  kept
          HN    ILE   56 - HN    LYS+ 112   8.25 +/- 0.75   2.319% *  0.0559% (0.49  1.00   0.02   8.56) =   0.001%
          HN    LEU   63 - HN    LYS+ 112  13.68 +/- 1.30   0.109% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.76 +/- 1.20   0.005% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  35.52 +/- 0.96   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.365, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   7.75 +/- 1.37  83.206% * 11.5373% (0.28   0.02   0.02) =  72.355%  kept
          QD    PHE   60 - HN    GLN  116  11.29 +/- 0.73  12.121% * 26.8436% (0.65   0.02   0.02) =  24.525%  kept
          HN    LYS+  66 - HN    GLN  116  13.33 +/- 0.89   4.417% *  8.2119% (0.20   0.02   0.02) =   2.734%  kept
          HE3   TRP   27 - HN    GLN  116  21.97 +/- 0.68   0.196% * 14.1544% (0.34   0.02   0.02) =   0.209%
          HN    LYS+  81 - HN    GLN  116  26.59 +/- 1.59   0.060% * 39.2529% (0.95   0.02   0.02) =   0.177%
    Distance limit 4.26 A violated in 19 structures by 3.29 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 5.94, residual support = 53.1:
      O   HA    ILE  119 - HN    ALA  120   3.61 +/- 0.03  81.114% * 85.9048% (0.80  10.0   6.02  55.04) =  96.394%  kept
          HA    THR  118 - HN    ALA  120   4.63 +/- 0.22  18.817% * 13.8548% (0.67   1.0   3.85   0.14) =   3.606%  kept
          HD3   PRO   58 - HN    ALA  120  12.50 +/- 0.79   0.051% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  15.57 +/- 1.10   0.014% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  22.75 +/- 1.05   0.001% *  0.0601% (0.56   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  21.56 +/- 0.60   0.002% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  25.36 +/- 1.19   0.001% *  0.0793% (0.74   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 0.75, residual support = 6.28:
          HA    SER  117 - HN    ALA  120   3.52 +/- 0.18  99.838% * 95.2241% (0.92   0.75   6.28) =  99.998%  kept
          HA    ASP-  62 - HN    ALA  120  11.06 +/- 1.16   0.135% *  1.3390% (0.49   0.02   0.02) =   0.002%
          HA    ALA   57 - HN    ALA  120  14.33 +/- 0.96   0.025% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  26.49 +/- 0.61   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.39 +/- 1.08   0.002% *  0.4457% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.08, residual support = 115.2:
      O   HG3   GLN  116 - HE21  GLN  116   3.11 +/- 0.45  99.995% * 99.8198% (0.69  10.0   4.08 115.15) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.36 +/- 1.07   0.003% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  21.91 +/- 1.58   0.001% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  32.26 +/- 1.93   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.503, support = 2.95, residual support = 74.6:
          HG    LEU  115 - HE21  GLN  116   5.85 +/- 1.68  31.784% * 23.7710% (0.41   3.51 101.62) =  56.058%  kept
          QB    ALA  120 - HE21  GLN  116   4.83 +/- 1.54  62.365% *  5.7566% (0.41   0.85   0.24) =  26.637%  kept
          HB3   LEU  115 - HE21  GLN  116   7.65 +/- 1.29   3.394% * 68.5814% (0.95   4.40 101.62) =  17.271%  kept
          QG    LYS+  66 - HE21  GLN  116   8.96 +/- 1.90   1.604% *  0.2264% (0.69   0.02   0.02) =   0.027%
          QB    ALA   61 - HE21  GLN  116  11.65 +/- 1.80   0.315% *  0.1124% (0.34   0.02   0.02) =   0.003%
          HG    LEU   67 - HE21  GLN  116  14.24 +/- 2.79   0.092% *  0.2859% (0.87   0.02   0.02) =   0.002%
          QB    ALA  110 - HE21  GLN  116  11.24 +/- 1.21   0.364% *  0.0577% (0.18   0.02   0.02) =   0.002%
          HB3   LEU   67 - HE21  GLN  116  15.27 +/- 2.04   0.044% *  0.1604% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  17.78 +/- 1.74   0.016% *  0.3118% (0.95   0.02   0.02) =   0.000%
          HG    LEU   73 - HE21  GLN  116  21.78 +/- 2.16   0.005% *  0.2859% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  18.60 +/- 2.06   0.013% *  0.0734% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  24.30 +/- 2.02   0.003% *  0.3118% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  26.86 +/- 2.29   0.002% *  0.0652% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 1.04, residual support = 0.609:
          HB    ILE  119 - HN    SER  117   5.22 +/- 0.31  37.020% * 52.8006% (0.20   1.62   1.04) =  57.755%  kept
          QB    GLU- 114 - HN    SER  117   4.87 +/- 0.22  55.452% * 25.3376% (0.61   0.25   0.02) =  41.514%  kept
          HB2   LYS+ 111 - HN    SER  117   6.96 +/- 0.62   7.460% *  3.2942% (1.00   0.02   0.02) =   0.726%  kept
          HB3   PRO   68 - HN    SER  117  19.87 +/- 1.27   0.013% *  2.7577% (0.84   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    SER  117  18.81 +/- 1.55   0.020% *  1.4802% (0.45   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    SER  117  21.39 +/- 0.86   0.008% *  3.2942% (1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    SER  117  21.65 +/- 1.25   0.008% *  3.2942% (1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    SER  117  22.46 +/- 0.81   0.006% *  1.7370% (0.53   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.12 +/- 1.21   0.005% *  0.8232% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.19 +/- 1.59   0.003% *  1.4802% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  31.39 +/- 1.05   0.001% *  3.0477% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.58 +/- 0.84   0.004% *  0.6534% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.853, support = 2.22, residual support = 3.76:
          QB    ALA  120 - HN    SER  117   4.47 +/- 0.41  64.834% * 17.5143% (0.84   1.34   6.28) =  45.037%  kept
          HG    LEU  115 - HN    SER  117   5.45 +/- 0.63  22.773% * 38.5760% (0.84   2.95   1.69) =  34.843%  kept
          HB3   LEU  115 - HN    SER  117   6.00 +/- 0.25  11.887% * 42.6706% (0.92   2.95   1.69) =  20.118%  kept
          QG    LYS+  66 - HN    SER  117  11.00 +/- 1.23   0.338% *  0.0871% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  14.83 +/- 2.21   0.066% *  0.3070% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.21 +/- 0.92   0.031% *  0.2891% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  17.49 +/- 1.00   0.020% *  0.1899% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  15.88 +/- 1.50   0.038% *  0.0483% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.09 +/- 1.72   0.007% *  0.1773% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.79 +/- 1.30   0.007% *  0.1404% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.99, support = 2.83, residual support = 16.8:
          HB2   PHE   97 - HN    LEU  104   3.66 +/- 0.97  85.538% * 80.4955% (1.00   2.90  17.37) =  96.702%  kept
          QE    LYS+ 106 - HN    LEU  104   6.05 +/- 1.33  12.793% * 18.3303% (0.76   0.86   0.02) =   3.293%  kept
          QE    LYS+  99 - HN    LEU  104   7.32 +/- 0.80   1.596% *  0.2091% (0.38   0.02  16.99) =   0.005%
          HB3   TRP   27 - HN    LEU  104  16.00 +/- 0.93   0.014% *  0.5522% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.09 +/- 1.36   0.017% *  0.3154% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.70 +/- 0.94   0.041% *  0.0976% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.954, support = 5.56, residual support = 36.4:
          HG12  ILE  103 - HN    LEU  104   3.99 +/- 0.31  86.827% * 83.2237% (0.97   5.64  37.25) =  97.606%  kept
          QB    LYS+ 102 - HN    LEU  104   5.70 +/- 0.31  11.573% * 15.2731% (0.49   2.05   0.02) =   2.388%  kept
          HB    VAL   41 - HN    LEU  104   8.62 +/- 1.25   1.388% *  0.3057% (1.00   0.02   0.02) =   0.006%
          QB    LYS+  66 - HN    LEU  104  13.46 +/- 1.32   0.070% *  0.2892% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  13.11 +/- 1.12   0.082% *  0.1043% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  15.57 +/- 0.87   0.028% *  0.2336% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.48 +/- 1.08   0.013% *  0.2220% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  16.82 +/- 1.08   0.017% *  0.1147% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  22.00 +/- 0.75   0.003% *  0.2336% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.63, residual support = 27.5:
          QB    LEU   98 - HN    ILE  103   4.58 +/- 1.18  97.958% * 87.9918% (0.61   1.63  27.53) =  99.965%  kept
          HD3   LYS+ 121 - HN    ILE  103  12.70 +/- 1.72   1.600% *  1.5967% (0.90   0.02   0.02) =   0.030%
          HB3   LEU   67 - HN    ILE  103  16.42 +/- 1.44   0.114% *  0.7320% (0.41   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  103  18.16 +/- 0.96   0.048% *  1.4256% (0.80   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ILE  103  18.80 +/- 2.08   0.035% *  1.7452% (0.98   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE  103  18.87 +/- 2.69   0.037% *  1.3606% (0.76   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE  103  19.54 +/- 1.87   0.032% *  1.5444% (0.87   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ILE  103  18.28 +/- 1.17   0.097% *  0.4440% (0.25   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HN    ILE  103  19.34 +/- 1.40   0.028% *  1.5444% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  18.65 +/- 0.81   0.040% *  1.0080% (0.57   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  23.79 +/- 1.80   0.011% *  0.6073% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 5 structures by 0.56 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.77, support = 5.12, residual support = 34.0:
          QD2   LEU  104 - HN    ILE  103   4.42 +/- 0.58  30.574% * 81.0595% (1.00   5.64  37.25) =  66.770%  kept
          QD1   LEU   98 - HN    ILE  103   3.65 +/- 1.08  67.957% * 18.1476% (0.31   4.09  27.53) =  33.227%  kept
          QG1   VAL   43 - HN    ILE  103   8.04 +/- 1.46   0.596% *  0.0981% (0.34   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    ILE  103   8.08 +/- 1.36   0.850% *  0.0569% (0.20   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  103  16.40 +/- 1.15   0.009% *  0.2775% (0.97   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.31 +/- 1.37   0.006% *  0.1975% (0.69   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.88 +/- 0.97   0.007% *  0.1628% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.88, residual support = 219.4:
          QD1   LEU  104 - HN    LEU  104   4.10 +/- 0.29  94.422% * 97.1251% (0.41   6.88 219.41) =  99.978%  kept
          QD1   LEU   63 - HN    LEU  104   8.93 +/- 0.80   1.080% *  0.6625% (0.97   0.02   0.02) =   0.008%
          QD2   LEU   63 - HN    LEU  104   9.05 +/- 1.43   1.376% *  0.4985% (0.73   0.02   0.02) =   0.007%
          QG2   VAL   41 - HN    LEU  104   7.83 +/- 0.83   2.613% *  0.1358% (0.20   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU  104  10.68 +/- 0.70   0.342% *  0.6625% (0.97   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU  104  12.85 +/- 1.08   0.121% *  0.4715% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  15.24 +/- 2.04   0.046% *  0.4441% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.302, support = 5.52, residual support = 35.0:
          QD2   LEU  104 - HN    ASP- 105   4.25 +/- 0.40  84.272% * 48.4426% (0.18   6.36  41.78) =  83.596%  kept
          QD1   LEU   98 - HN    ASP- 105   6.11 +/- 0.92  15.687% * 51.0648% (0.95   1.24   0.31) =  16.404%  kept
          QG2   ILE   19 - HN    ASP- 105  15.64 +/- 0.89   0.040% *  0.4926% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 135.8:
          HG3   LYS+ 106 - HN    LYS+ 106   2.83 +/- 0.44  98.279% * 95.5311% (0.90   4.02 135.78) =  99.998%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   7.04 +/- 1.18   1.409% *  0.0929% (0.18   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   9.64 +/- 0.43   0.097% *  0.2180% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.77 +/- 0.48   0.031% *  0.5291% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.57 +/- 1.02   0.103% *  0.1181% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  13.27 +/- 1.26   0.015% *  0.5256% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  11.79 +/- 0.88   0.036% *  0.1809% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.64 +/- 0.67   0.008% *  0.5118% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  16.13 +/- 0.92   0.005% *  0.5291% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  14.75 +/- 1.04   0.008% *  0.1637% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.63 +/- 0.89   0.001% *  0.5291% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  15.43 +/- 0.58   0.006% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  22.22 +/- 0.55   0.001% *  0.5198% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.55 +/- 0.52   0.002% *  0.1049% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  25.77 +/- 1.44   0.000% *  0.3643% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.85, residual support = 26.8:
          QG1   VAL  107 - HN    LYS+ 106   4.24 +/- 0.43  99.409% * 97.0534% (0.53   2.85  26.81) =  99.995%  kept
          HG    LEU   63 - HN    LYS+ 106  11.11 +/- 0.95   0.437% *  0.9388% (0.73   0.02   0.02) =   0.004%
          QG2   VAL   24 - HN    LYS+ 106  17.08 +/- 1.07   0.027% *  1.1214% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LYS+ 106  15.20 +/- 0.58   0.055% *  0.3990% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.56 +/- 1.02   0.046% *  0.1995% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  17.78 +/- 1.85   0.025% *  0.2878% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 62.1:
          QG1   VAL  108 - HN    VAL  108   3.59 +/- 0.05  99.884% * 99.4338% (0.98   4.52  62.12) = 100.000%  kept
          HB3   LEU   63 - HN    VAL  108  12.97 +/- 0.84   0.050% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    VAL  108  13.14 +/- 0.45   0.043% *  0.2183% (0.49   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  14.94 +/- 1.54   0.023% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 2.86, residual support = 7.78:
          QG2   ILE   89 - HN    ALA   91   3.51 +/- 0.35  95.186% * 97.3398% (1.00   2.87   7.79) =  99.895%  kept
          QG1   VAL   83 - HN    TRP   27   6.21 +/- 0.70   4.617% *  2.1013% (0.07   0.95   3.79) =   0.105%
          QG1   VAL   83 - HN    ALA   91  11.00 +/- 0.76   0.116% *  0.3573% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  12.21 +/- 0.55   0.064% *  0.0839% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.55 +/- 1.49   0.006% *  0.1048% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.75 +/- 1.16   0.011% *  0.0129% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.31, residual support = 39.6:
          HG3   LYS+  99 - HN    GLU- 100   3.72 +/- 0.44  67.909% * 94.9769% (0.45   5.33  39.77) =  99.682%  kept
          QB    ALA   34 - HN    GLU- 100   4.70 +/- 0.39  20.674% *  0.5776% (0.73   0.02   0.02) =   0.185%
          HG3   LYS+  38 - HN    GLU- 100   6.45 +/- 1.45   5.480% *  0.7884% (0.99   0.02   0.02) =   0.067%
          QG2   THR   39 - HN    GLU- 100   5.83 +/- 0.53   5.636% *  0.7525% (0.95   0.02   0.02) =   0.066%
          HG    LEU   71 - HN    GLU- 100   9.80 +/- 1.14   0.260% *  0.2985% (0.38   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    GLU- 100  14.97 +/- 1.28   0.019% *  0.5146% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  17.82 +/- 1.14   0.007% *  0.7134% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  17.57 +/- 1.16   0.007% *  0.3270% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  17.95 +/- 0.84   0.006% *  0.2985% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  21.74 +/- 1.27   0.002% *  0.7525% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.987, residual support = 5.57:
          QB    ALA   84 - HN    LYS+  81   4.53 +/- 0.11  99.597% * 76.1175% (0.57   0.99   5.57) =  99.991%  kept
          HB3   LEU   73 - HN    LYS+  81  13.55 +/- 0.85   0.155% *  2.5148% (0.92   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LYS+  81  17.10 +/- 1.22   0.041% *  1.6523% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  15.14 +/- 0.59   0.075% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  19.43 +/- 0.62   0.017% *  2.3631% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+  81  20.31 +/- 1.43   0.014% *  2.7242% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  17.96 +/- 1.38   0.029% *  1.2213% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.50 +/- 1.72   0.010% *  2.1814% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  17.12 +/- 1.13   0.037% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  24.74 +/- 2.59   0.004% *  2.5770% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  25.55 +/- 1.40   0.003% *  2.3631% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  27.05 +/- 2.17   0.003% *  2.6703% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  24.81 +/- 2.38   0.004% *  1.1200% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  21.68 +/- 0.97   0.009% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.42 +/- 1.39   0.001% *  0.9292% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.41 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.9, residual support = 215.7:
          QD1   ILE   89 - HN    ILE   89   3.08 +/- 0.52  94.829% * 99.3856% (0.92   5.90 215.70) =  99.980%  kept
          QG2   VAL   83 - HN    ILE   89   5.69 +/- 0.66   5.144% *  0.3639% (1.00   0.02   0.02) =   0.020%
          QD2   LEU   31 - HN    ILE   89  13.11 +/- 1.01   0.027% *  0.2505% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.368, support = 3.89, residual support = 8.91:
          QB    ALA   88 - HN    ILE   89   3.26 +/- 0.61  64.653% * 58.4565% (0.34   4.49   7.92) =  75.268%  kept
          QB    ALA   84 - HN    ILE   89   4.10 +/- 0.71  34.939% * 35.5368% (0.45   2.08  11.94) =  24.727%  kept
          HB3   LEU   80 - HN    ILE   89   9.29 +/- 1.13   0.229% *  0.7483% (0.98   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    ILE   89  11.29 +/- 1.42   0.122% *  0.3138% (0.41   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ILE   89  12.48 +/- 0.52   0.023% *  0.6376% (0.84   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  13.35 +/- 1.38   0.020% *  0.4322% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  16.18 +/- 1.85   0.005% *  0.7483% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  17.21 +/- 1.17   0.004% *  0.7617% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  17.92 +/- 0.85   0.003% *  0.7047% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  21.76 +/- 1.06   0.001% *  0.6113% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  25.23 +/- 1.41   0.000% *  0.5244% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  25.64 +/- 1.15   0.000% *  0.5244% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.646, support = 4.0, residual support = 34.8:
          QB    ALA   91 - HN    GLN   90   4.40 +/- 0.48  54.769% * 61.1398% (0.84   3.04  32.16) =  67.627%  kept
          HG12  ILE   89 - HN    GLN   90   4.57 +/- 0.35  44.533% * 35.9920% (0.25   6.00  40.29) =  32.370%  kept
          QG2   ILE   56 - HN    GLN   90  10.18 +/- 1.60   0.518% *  0.1805% (0.38   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    GLN   90  13.34 +/- 1.62   0.111% *  0.4440% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    GLN   90  14.68 +/- 1.58   0.043% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  21.32 +/- 0.94   0.004% *  0.4810% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  20.67 +/- 0.88   0.005% *  0.4018% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  22.65 +/- 1.76   0.004% *  0.4314% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  18.20 +/- 0.61   0.011% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  23.89 +/- 0.82   0.002% *  0.4550% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  28.31 +/- 1.36   0.001% *  0.2723% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 90.0:
      O   HB2   GLN   90 - HN    GLN   90   3.96 +/- 0.18  99.853% * 99.4917% (0.73  10.0   5.59  90.03) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  12.64 +/- 1.53   0.137% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  22.92 +/- 1.35   0.003% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  22.44 +/- 1.20   0.003% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  25.59 +/- 0.69   0.001% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  25.01 +/- 1.20   0.002% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  28.72 +/- 0.82   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.55, residual support = 40.2:
          QD2   LEU   73 - HN    PHE   72   3.59 +/- 0.69  84.782% * 98.5695% (0.87   5.55  40.17) =  99.966%  kept
          QG2   VAL   18 - HN    PHE   72   5.64 +/- 0.55  10.207% *  0.1397% (0.34   0.02   2.24) =   0.017%
          QG1   VAL   41 - HN    PHE   72   6.75 +/- 0.98   3.263% *  0.3130% (0.76   0.02   0.02) =   0.012%
          QG1   VAL   43 - HN    PHE   72   7.39 +/- 0.49   1.440% *  0.2319% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    PHE   72  10.83 +/- 0.75   0.165% *  0.3953% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  11.47 +/- 0.72   0.120% *  0.1021% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  15.18 +/- 0.65   0.022% *  0.2484% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.57, residual support = 39.0:
          QB    ALA   64 - HN    PHE   72   4.34 +/- 0.93  99.936% * 99.8639% (1.00   2.57  38.96) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.53 +/- 0.37   0.064% *  0.1361% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 3 structures by 0.33 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.15:
          HB    ILE   19 - HN    LYS+  74   4.91 +/- 0.73  96.139% * 95.9632% (0.71   2.61   8.15) =  99.980%  kept
          HB2   GLN   17 - HN    LYS+  74  10.12 +/- 0.88   1.796% *  0.4465% (0.43   0.02   0.02) =   0.009%
          HB3   GLU-  25 - HN    LYS+  74  11.46 +/- 0.86   1.051% *  0.5895% (0.57   0.02   0.02) =   0.007%
          QB    GLU-  15 - HN    LYS+  74  11.89 +/- 0.88   0.689% *  0.4465% (0.43   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    LYS+  74  17.28 +/- 0.72   0.070% *  0.7216% (0.69   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LYS+  74  18.62 +/- 1.03   0.043% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  16.67 +/- 1.31   0.093% *  0.1836% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  17.82 +/- 1.18   0.056% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  18.28 +/- 0.71   0.046% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.95 +/- 0.98   0.016% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 5 structures by 0.55 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.44, residual support = 41.4:
          QD1   LEU   73 - HN    LYS+  74   4.72 +/- 0.18  80.317% * 97.1332% (0.37   5.44  41.43) =  99.858%  kept
          QD2   LEU   80 - HN    LYS+  74   6.90 +/- 1.59  14.744% *  0.6082% (0.64   0.02   0.02) =   0.115%
          QG1   VAL   83 - HN    LYS+  74   8.36 +/- 0.73   3.107% *  0.5183% (0.54   0.02   0.02) =   0.021%
          QD1   LEU   63 - HN    LYS+  74  10.10 +/- 0.63   0.908% *  0.3568% (0.37   0.02   0.02) =   0.004%
          QG2   ILE   89 - HN    LYS+  74  10.41 +/- 0.54   0.728% *  0.1188% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  14.62 +/- 1.07   0.105% *  0.6766% (0.71   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LYS+  74  15.35 +/- 1.61   0.092% *  0.5882% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.344, support = 4.58, residual support = 28.1:
          QG2   THR   77 - HN    ASP-  78   3.99 +/- 0.13  85.402% * 78.0045% (0.34   4.61  28.26) =  99.232%  kept
          HB3   LEU   80 - HN    ASP-  78   7.19 +/- 0.79   3.124% * 15.9019% (0.69   0.47   2.44) =   0.740%  kept
          QB    ALA   84 - HN    ASP-  78   5.72 +/- 0.42  11.173% *  0.1532% (0.15   0.02   0.02) =   0.025%
          QB    ALA   88 - HN    ASP-  78  12.02 +/- 0.66   0.121% *  0.7208% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ASP-  78  11.71 +/- 0.75   0.147% *  0.4450% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  18.84 +/- 0.60   0.008% *  0.8292% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.33 +/- 0.98   0.010% *  0.5620% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  21.54 +/- 0.96   0.004% *  0.8903% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  18.57 +/- 1.00   0.009% *  0.2210% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  26.16 +/- 0.79   0.001% *  0.9927% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  28.72 +/- 0.56   0.001% *  0.9730% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  27.30 +/- 1.00   0.001% *  0.3064% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   6.72 +/- 0.79  98.361% * 32.6601% (0.92   0.02   0.02) =  98.268%  kept
          QG1   VAL   42 - HN    ASP-  78  13.74 +/- 0.55   1.543% * 34.6797% (0.98   0.02   0.02) =   1.637%  kept
          HG2   LYS+ 112 - HN    ASP-  78  22.00 +/- 1.95   0.095% * 32.6601% (0.92   0.02   0.02) =   0.095%
    Distance limit 4.48 A violated in 19 structures by 2.23 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.594, support = 4.31, residual support = 24.7:
          HB    THR   77 - HN    ASP-  78   4.04 +/- 0.15  78.291% * 37.3676% (0.45   4.61  28.26) =  69.248%  kept
          HA    GLU-  79 - HN    ASP-  78   5.03 +/- 0.10  21.329% * 60.9081% (0.92   3.65  16.61) =  30.750%  kept
          HA    SER   85 - HN    ASP-  78  11.65 +/- 0.50   0.142% *  0.1622% (0.45   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP-  78  13.65 +/- 1.14   0.059% *  0.3610% (1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ASP-  78  13.94 +/- 1.13   0.052% *  0.3245% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  78  11.99 +/- 0.52   0.121% *  0.1358% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  21.48 +/- 1.22   0.004% *  0.2048% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.92 +/- 0.47   0.001% *  0.3492% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.52 +/- 1.51   0.001% *  0.0634% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  31.80 +/- 2.92   0.000% *  0.1234% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 38.9:
      O   HA    ASP-  78 - HN    ASP-  78   2.81 +/- 0.04  99.336% * 99.8154% (1.00  10.0   4.57  38.91) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.05 +/- 0.30   0.415% *  0.0486% (0.49   1.0   0.02   2.44) =   0.000%
          HA    THR   23 - HN    ASP-  78   8.56 +/- 0.75   0.144% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78   9.71 +/- 1.53   0.105% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.47 +/- 0.69   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 8.07, residual support = 213.5:
      O   HA    ILE  119 - HN    ILE  119   2.83 +/- 0.02  78.980% * 50.7779% (1.00  10.0   8.72 255.51) =  80.860%  kept
      O   HA    THR  118 - HN    ILE  119   3.58 +/- 0.05  19.371% * 49.0042% (0.97  10.0   5.30  35.96) =  19.140%  kept
          HA    VAL   75 - HN    CYS   21   5.58 +/- 0.52   1.630% *  0.0028% (0.06   1.0   0.02   2.48) =   0.000%
          HA2   GLY  109 - HN    ILE  119  13.38 +/- 1.02   0.008% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  13.48 +/- 0.60   0.007% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  20.27 +/- 1.03   0.001% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  18.86 +/- 0.72   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  23.15 +/- 1.20   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  20.60 +/- 0.85   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.23 +/- 1.07   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.36 +/- 0.64   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  22.07 +/- 0.80   0.000% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.717, support = 5.46, residual support = 32.1:
          HB2   CYS   53 - HN    ARG+  54   3.26 +/- 0.13  90.849% * 83.6735% (0.72   5.50  32.50) =  98.747%  kept
          HD3   PRO   52 - HN    ARG+  54   5.08 +/- 0.07   6.452% * 14.8466% (0.26   2.68   1.77) =   1.244%  kept
          HD2   PRO   58 - HN    ARG+  54   6.63 +/- 0.82   1.610% *  0.3675% (0.87   0.02   0.02) =   0.008%
          HD2   PRO   58 - HN    ASP-  62   6.95 +/- 0.36   1.031% *  0.0688% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  11.59 +/- 0.69   0.048% *  0.0569% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  20.60 +/- 0.65   0.001% *  0.3454% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.95 +/- 0.59   0.005% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.19 +/- 0.81   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  21.77 +/- 0.87   0.001% *  0.0646% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.11 +/- 0.82   0.000% *  0.3326% (0.79   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  26.32 +/- 0.98   0.000% *  0.1358% (0.32   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  20.16 +/- 1.21   0.002% *  0.0254% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.943, support = 1.46, residual support = 3.53:
          QG2   VAL   18 - HN    ALA   61   5.21 +/- 1.65  80.789% * 94.1268% (0.95   1.46   3.54) =  99.717%  kept
          QG2   THR   46 - HN    ALA   61   7.79 +/- 1.24  16.474% *  1.1808% (0.87   0.02   0.02) =   0.255%
          QG1   VAL   43 - HN    ALA   61  11.53 +/- 0.64   0.738% *  1.3583% (1.00   0.02   0.02) =   0.013%
          QD1   ILE   19 - HN    ALA   61  11.71 +/- 1.61   0.597% *  0.7162% (0.53   0.02   0.02) =   0.006%
          QD2   LEU   73 - HN    ALA   61  10.85 +/- 0.94   0.995% *  0.3394% (0.25   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    ALA   61  14.22 +/- 0.79   0.239% *  1.2566% (0.92   0.02   0.02) =   0.004%
          QD2   LEU  104 - HN    ALA   61  16.10 +/- 1.21   0.130% *  0.5109% (0.38   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ALA   61  18.85 +/- 1.10   0.038% *  0.5109% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 3 structures by 0.84 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 51.9:
          QB    GLU-  36 - HN    ASN   35   4.09 +/- 0.08  95.394% * 98.3844% (0.92   4.96  51.93) =  99.992%  kept
          HB2   LYS+  38 - HN    ASN   35   7.06 +/- 0.33   3.815% *  0.1195% (0.28   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    ASN   35   9.63 +/- 0.39   0.574% *  0.4259% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.41 +/- 0.49   0.211% *  0.3120% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  21.13 +/- 0.92   0.005% *  0.3727% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  27.35 +/- 0.98   0.001% *  0.3854% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 46.3:
      O   QB    MET   11 - HN    MET   11   2.78 +/- 0.45  99.869% * 99.3665% (0.69  10.0   3.00  46.33) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.03 +/- 1.08   0.086% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  11.90 +/- 1.53   0.038% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  18.36 +/- 4.15   0.007% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  29.36 +/- 3.42   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  25.94 +/- 3.99   0.000% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  26.08 +/- 1.84   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  33.91 +/- 1.88   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  39.83 +/- 2.21   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  39.93 +/- 1.53   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 46.3:
          HG2   MET   11 - HN    MET   11   4.02 +/- 0.58  99.437% * 97.3781% (0.92   3.31  46.33) =  99.997%  kept
          HB2   GLU-  14 - HN    MET   11  10.15 +/- 1.23   0.521% *  0.6025% (0.95   0.02   0.02) =   0.003%
          HB2   PRO   68 - HN    MET   11  18.36 +/- 3.06   0.017% *  0.3100% (0.49   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    MET   11  18.48 +/- 3.03   0.022% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  32.43 +/- 1.48   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  28.35 +/- 3.29   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  38.46 +/- 1.72   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  34.55 +/- 2.27   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 46.3:
          HG3   MET   11 - HN    MET   11   3.25 +/- 0.50  99.881% * 98.0255% (0.92   3.31  46.33) =  99.999%  kept
          HB3   GLU-  14 - HN    MET   11  10.89 +/- 1.25   0.112% *  0.4900% (0.76   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    MET   11  20.47 +/- 2.95   0.003% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  22.53 +/- 3.87   0.002% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  22.71 +/- 2.83   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  30.49 +/- 1.68   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  30.38 +/- 2.10   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  39.38 +/- 1.79   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.954, support = 0.0199, residual support = 0.0199:
          HG2   LYS+  33 - HN    MET   11  16.71 +/- 3.10  82.142% * 22.9200% (1.00   0.02   0.02) =  89.490%  kept
          HD3   LYS+  74 - HN    MET   11  25.49 +/- 2.13   8.942% * 12.0587% (0.53   0.02   0.02) =   5.126%  kept
          QG    LYS+  81 - HN    MET   11  31.43 +/- 2.99   2.326% * 19.1444% (0.84   0.02   0.02) =   2.116%  kept
          HG    LEU  104 - HN    MET   11  29.62 +/- 2.56   3.008% *  8.6021% (0.38   0.02   0.02) =   1.230%  kept
          HG2   LYS+ 106 - HN    MET   11  34.66 +/- 2.30   1.184% * 17.5161% (0.76   0.02   0.02) =   0.986%  kept
          HB3   LYS+ 121 - HN    MET   11  32.91 +/- 2.42   1.810% *  8.6021% (0.38   0.02   0.02) =   0.740%  kept
          HB3   LYS+ 111 - HN    MET   11  39.40 +/- 2.22   0.587% * 11.1564% (0.49   0.02   0.02) =   0.311%
    Distance limit 4.26 A violated in 20 structures by 11.83 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.59, residual support = 12.0:
          HG2   MET   11 - HN    ALA   12   4.16 +/- 0.44  91.407% * 97.8448% (0.72   3.59  11.96) =  99.948%  kept
          HB2   GLU-  14 - HN    ALA   12   7.34 +/- 1.39   8.491% *  0.5433% (0.72   0.02   0.02) =   0.052%
          HB2   PRO   68 - HN    ALA   12  15.07 +/- 2.87   0.100% *  0.1514% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  29.34 +/- 1.74   0.001% *  0.5338% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  35.76 +/- 1.59   0.000% *  0.5338% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  31.72 +/- 1.74   0.001% *  0.2239% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  33.77 +/- 2.02   0.000% *  0.0954% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  34.56 +/- 1.94   0.000% *  0.0737% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.29, residual support = 12.5:
      O   QB    ALA   12 - HN    ALA   12   2.76 +/- 0.24  99.990% * 99.1918% (0.68  10.0   2.29  12.45) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  15.44 +/- 2.30   0.005% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  19.07 +/- 2.52   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  20.11 +/- 2.11   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  20.47 +/- 1.46   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  21.93 +/- 1.31   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  20.60 +/- 1.81   0.001% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  29.44 +/- 1.98   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  27.60 +/- 2.54   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.21 +/- 1.43   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  30.90 +/- 2.60   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  36.01 +/- 2.17   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.67 +/- 1.66   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.19:
          QB    ALA   12 - HN    SER   13   2.69 +/- 0.53  99.970% * 91.5358% (0.95   1.76   5.19) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  14.15 +/- 2.06   0.016% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  16.38 +/- 2.10   0.004% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  17.65 +/- 1.95   0.003% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  18.02 +/- 1.01   0.002% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  17.89 +/- 1.66   0.002% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  20.17 +/- 1.44   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  27.95 +/- 1.79   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  25.24 +/- 2.21   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  28.92 +/- 1.14   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  28.72 +/- 2.63   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  33.29 +/- 1.66   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.91 +/- 1.41   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 2.45, residual support = 6.62:
          QB    SER   13 - HN    GLU-  14   3.32 +/- 0.59  99.783% * 95.5430% (0.45   2.45   6.62) =  99.998%  kept
          HB3   SER   37 - HN    GLU-  14  12.57 +/- 2.13   0.118% *  1.0072% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  12.18 +/- 1.75   0.098% *  0.8283% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  24.80 +/- 1.10   0.001% *  1.2031% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  29.23 +/- 1.11   0.000% *  1.0072% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  27.90 +/- 1.77   0.000% *  0.4113% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.507, support = 3.42, residual support = 35.4:
          QG    GLU-  14 - HN    GLU-  14   4.05 +/- 0.32  53.349% * 71.5939% (0.53   3.92  45.84) =  76.614%  kept
          QG    GLU-  15 - HN    GLU-  14   4.32 +/- 1.00  45.000% * 25.9037% (0.42   1.78   1.17) =  23.382%  kept
          QB    MET   11 - HN    GLU-  14   7.72 +/- 0.74   1.542% *  0.0947% (0.14   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    GLU-  14  12.21 +/- 0.83   0.084% *  0.3997% (0.58   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLU-  14  17.13 +/- 2.05   0.013% *  0.3475% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  17.77 +/- 0.77   0.008% *  0.3475% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  22.47 +/- 1.29   0.002% *  0.4743% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  27.83 +/- 1.76   0.001% *  0.4292% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  24.70 +/- 1.12   0.001% *  0.1193% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  31.88 +/- 1.14   0.000% *  0.2902% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.86, residual support = 45.8:
      O   HB2   GLU-  14 - HN    GLU-  14   3.15 +/- 0.41  99.410% * 99.6047% (0.70  10.0   3.86  45.84) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.57 +/- 1.42   0.211% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  10.25 +/- 2.20   0.377% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  23.70 +/- 1.37   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.17 +/- 1.14   0.000% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.33 +/- 0.96   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  28.41 +/- 1.57   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  29.03 +/- 1.24   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.9, residual support = 45.8:
      O   HB3   GLU-  14 - HN    GLU-  14   3.31 +/- 0.31  99.649% * 99.6986% (0.62  10.0   3.90  45.84) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.65 +/- 1.34   0.335% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  15.31 +/- 1.62   0.014% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  22.58 +/- 0.88   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  28.60 +/- 1.34   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.3:
          QG    GLN   17 - HN    GLN   17   2.64 +/- 0.55  99.588% * 98.8145% (1.00   5.50  84.34) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   7.81 +/- 1.48   0.401% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.27 +/- 0.83   0.004% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  18.92 +/- 1.06   0.001% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.05 +/- 1.79   0.002% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  17.05 +/- 1.84   0.002% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.39 +/- 0.98   0.002% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.03, residual support = 80.8:
      O   HB2   GLN   17 - HN    GLN   17   3.80 +/- 0.16  62.075% * 91.6398% (0.92  10.0   5.17  84.34) =  95.844%  kept
          QB    GLU-  15 - HN    GLN   17   4.28 +/- 0.27  31.329% *  7.8590% (0.92   1.0   1.72   0.02) =   4.148%  kept
          HB    ILE   19 - HN    GLN   17   6.65 +/- 0.90   3.312% *  0.0795% (0.80   1.0   0.02   0.02) =   0.004%
          HB3   PRO   68 - HN    GLN   17   7.68 +/- 1.93   2.577% *  0.0562% (0.57   1.0   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLN   17   9.04 +/- 1.29   0.599% *  0.0721% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  11.80 +/- 1.60   0.102% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  19.78 +/- 0.87   0.003% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  20.60 +/- 1.05   0.003% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.46 +/- 1.42   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 84.3:
      O   HB3   GLN   17 - HN    GLN   17   3.15 +/- 0.31  98.149% * 99.6298% (0.98  10.0   5.17  84.34) =  99.999%  kept
          HB2   LEU   71 - HN    GLN   17   8.15 +/- 1.63   0.846% *  0.0777% (0.76   1.0   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    GLN   17   7.52 +/- 1.05   0.805% *  0.0738% (0.73   1.0   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17   9.29 +/- 0.64   0.177% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  14.61 +/- 0.73   0.012% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  16.62 +/- 1.61   0.007% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  18.84 +/- 1.33   0.003% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  21.33 +/- 1.15   0.001% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  23.88 +/- 0.90   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.95, residual support = 6.14:
          QB    GLU-  15 - HN    GLY   16   2.48 +/- 0.40  95.206% * 39.2529% (0.98   1.94   6.05) =  99.037%  kept
          HB2   GLN   17 - HN    GLY   16   6.11 +/- 0.20   0.600% * 58.5556% (0.98   2.90  16.50) =   0.931%  kept
          HB3   PRO   68 - HN    GLY   16   6.53 +/- 1.75   3.153% *  0.3237% (0.78   0.02   0.02) =   0.027%
          HG2   PRO   68 - HN    GLY   16   7.86 +/- 1.36   0.782% *  0.1967% (0.47   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    GLY   16   7.74 +/- 1.01   0.218% *  0.2288% (0.55   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  12.16 +/- 1.98   0.014% *  0.1662% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  11.71 +/- 1.99   0.022% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  20.65 +/- 1.37   0.000% *  0.3824% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  16.97 +/- 2.04   0.002% *  0.0900% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  16.72 +/- 1.08   0.002% *  0.0708% (0.17   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.03 +/- 1.03   0.000% *  0.2615% (0.63   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.17 +/- 1.40   0.000% *  0.4006% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.81, residual support = 50.1:
          QG    GLN   17 - HN    VAL   18   3.73 +/- 0.26  99.502% * 98.7513% (0.70   5.81  50.08) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18   9.80 +/- 1.33   0.454% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   18  18.11 +/- 0.28   0.008% *  0.3910% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  15.25 +/- 0.93   0.024% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.09 +/- 1.10   0.005% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.49 +/- 0.78   0.008% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 77.3:
      O   HB    VAL   18 - HN    VAL   18   2.61 +/- 0.46  99.169% * 99.4605% (0.70  10.0   4.99  77.28) = 100.000%  kept
          HB    ILE   19 - HN    VAL   18   6.54 +/- 0.44   0.653% *  0.0305% (0.21   1.0   0.02  22.42) =   0.000%
          HB2   LEU   67 - HN    VAL   18   8.33 +/- 0.93   0.138% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  11.63 +/- 1.50   0.031% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  14.28 +/- 1.34   0.006% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  17.48 +/- 1.06   0.002% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  18.34 +/- 1.12   0.001% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  18.95 +/- 1.20   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.332, support = 5.44, residual support = 49.8:
          HB3   GLN   17 - HN    VAL   18   3.52 +/- 0.47  95.984% * 82.1135% (0.33   5.47  50.08) =  99.425%  kept
          QB    LYS+  65 - HN    VAL   18   6.67 +/- 1.29   3.410% * 13.2315% (0.87   0.34   0.15) =   0.569%  kept
          QB    LYS+  66 - HN    VAL   18   9.37 +/- 0.75   0.338% *  0.7348% (0.81   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    VAL   18  10.34 +/- 1.00   0.205% *  0.7631% (0.84   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    VAL   18  13.75 +/- 1.05   0.036% *  0.5691% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  18.16 +/- 1.33   0.006% *  0.8720% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  19.80 +/- 0.70   0.004% *  0.8490% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  18.82 +/- 1.87   0.006% *  0.4282% (0.47   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  16.96 +/- 1.29   0.009% *  0.2194% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  21.26 +/- 0.86   0.002% *  0.2194% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.26, residual support = 77.3:
          QG2   VAL   18 - HN    VAL   18   2.25 +/- 0.60  98.670% * 98.2939% (0.91   5.26  77.28) =  99.997%  kept
          QD1   ILE   19 - HN    VAL   18   6.02 +/- 1.03   1.034% *  0.2081% (0.51   0.02  22.42) =   0.002%
          QG2   THR   46 - HN    VAL   18  10.05 +/- 1.16   0.060% *  0.3430% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   18   7.51 +/- 0.63   0.199% *  0.0986% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  10.97 +/- 0.62   0.021% *  0.3946% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  11.77 +/- 1.06   0.011% *  0.3650% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.89 +/- 0.79   0.002% *  0.1484% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  16.56 +/- 1.47   0.002% *  0.1484% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.7:
          QB    ALA   64 - HN    VAL   18   3.31 +/- 0.88  99.959% * 99.8615% (0.84   2.25   8.70) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  13.22 +/- 1.23   0.041% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 1 structures by 0.11 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.433, support = 3.61, residual support = 19.0:
          HN    PHE   59 - HN    PHE   60   2.77 +/- 0.14  86.457% * 60.9150% (0.44   3.68  19.21) =  95.804%  kept
          QE    PHE   59 - HN    PHE   60   4.95 +/- 1.10   6.584% * 19.5876% (0.28   1.84  19.21) =   2.346%  kept
          QE    PHE   59 - HN    THR  118   4.91 +/- 1.07   6.376% * 15.9343% (0.16   2.65  10.13) =   1.848%  kept
          HN    HIS  122 - HN    THR  118   6.71 +/- 0.18   0.431% *  0.1585% (0.21   0.02   2.93) =   0.001%
          HN    PHE   59 - HN    THR  118  10.65 +/- 0.98   0.031% *  0.1873% (0.25   0.02  10.13) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.92 +/- 0.42   0.083% *  0.0613% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  12.63 +/- 0.75   0.010% *  0.2805% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  12.17 +/- 0.99   0.013% *  0.1314% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  17.89 +/- 1.00   0.001% *  0.4552% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.74 +/- 0.91   0.001% *  0.7100% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  19.98 +/- 0.95   0.001% *  0.6010% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.03 +/- 1.11   0.009% *  0.0347% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  18.39 +/- 0.89   0.001% *  0.2544% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  22.37 +/- 1.64   0.000% *  0.5450% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  18.67 +/- 1.10   0.001% *  0.1437% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 4.73, residual support = 40.8:
          HN    ALA   61 - HN    PHE   60   2.79 +/- 0.13  99.955% * 94.4858% (0.47   4.73  40.76) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  15.64 +/- 0.89   0.004% *  0.8552% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  13.01 +/- 0.85   0.011% *  0.2255% (0.26   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  13.49 +/- 1.87   0.012% *  0.1692% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  16.93 +/- 1.26   0.002% *  0.6536% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  15.73 +/- 0.76   0.003% *  0.3956% (0.46   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  17.77 +/- 0.75   0.002% *  0.3462% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  17.06 +/- 1.36   0.002% *  0.1956% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  18.00 +/- 1.73   0.002% *  0.2235% (0.26   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.15 +/- 1.33   0.001% *  0.3050% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  16.10 +/- 0.71   0.003% *  0.0699% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  25.08 +/- 1.29   0.000% *  0.7418% (0.87   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  28.89 +/- 1.21   0.000% *  0.8476% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.21 +/- 1.03   0.001% *  0.0395% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  21.21 +/- 0.88   0.001% *  0.0790% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  24.52 +/- 0.74   0.000% *  0.1724% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  24.08 +/- 1.00   0.000% *  0.1498% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.73 +/- 0.80   0.000% *  0.0446% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.94, residual support = 71.9:
      O   HB3   PHE   60 - HN    PHE   60   2.91 +/- 0.25  99.619% * 98.9222% (0.47  10.0   4.94  71.94) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   8.80 +/- 1.11   0.170% *  0.0529% (0.25   1.0   0.02   2.84) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.07 +/- 0.84   0.139% *  0.0294% (0.14   1.0   0.02   1.73) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.97 +/- 1.14   0.027% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  13.82 +/- 0.97   0.012% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  12.62 +/- 0.85   0.019% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  17.05 +/- 0.96   0.003% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  16.60 +/- 1.39   0.004% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.82 +/- 1.31   0.003% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  19.69 +/- 0.80   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  18.55 +/- 2.02   0.002% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.11 +/- 1.16   0.000% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.90 +/- 0.84   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  25.15 +/- 1.46   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.64 +/- 1.06   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.01, residual support = 19.2:
          HB3   PHE   59 - HN    PHE   60   3.59 +/- 0.47  98.722% * 96.9698% (0.39   4.01  19.21) =  99.996%  kept
          HB3   PHE   59 - HN    THR  118   8.46 +/- 1.14   1.260% *  0.2734% (0.22   0.02  10.13) =   0.004%
          HB3   TRP   49 - HN    PHE   60  16.93 +/- 0.61   0.011% *  0.4639% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  20.45 +/- 0.85   0.004% *  1.0368% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  23.68 +/- 1.24   0.002% *  0.2621% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  30.14 +/- 1.11   0.000% *  0.9940% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.85, residual support = 5.32:
        T HN    SER  117 - HN    THR  118   2.70 +/- 0.14  99.977% * 97.7507% (0.17 10.00   2.85   5.32) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.54 +/- 0.56   0.018% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.76 +/- 0.71   0.004% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  19.85 +/- 0.76   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  21.51 +/- 0.79   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.91 +/- 1.13   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.129, support = 4.34, residual support = 36.6:
          QG2   THR  118 - HN    THR  118   3.61 +/- 0.08  98.930% * 99.1734% (0.13   4.35  36.55) =  99.991%  kept
          QG2   THR  118 - HN    PHE   60   8.02 +/- 1.01   1.070% *  0.8266% (0.23   0.02   0.02) =   0.009%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.131, support = 4.21, residual support = 52.7:
      O   HB    THR  118 - HN    THR  118   2.16 +/- 0.11  63.587% * 18.8471% (0.05  10.0   3.58  36.55) =  51.310%  kept
      O   HA    PHE   60 - HN    PHE   60   2.79 +/- 0.05  13.854% * 79.4088% (0.22  10.0   4.94  71.94) =  47.100%  kept
          QB    SER  117 - HN    THR  118   2.59 +/- 0.19  22.539% *  1.6472% (0.03   1.0   3.15   5.32) =   1.590%  kept
          HB    THR  118 - HN    PHE   60   9.59 +/- 1.17   0.012% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.33 +/- 0.84   0.006% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.98 +/- 0.54   0.002% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 3.71, residual support = 36.5:
      O   HA    THR  118 - HN    THR  118   2.82 +/- 0.04  87.378% * 75.0463% (0.14  10.0   3.69  36.55) =  99.188%  kept
          HA    ILE  119 - HN    THR  118   5.21 +/- 0.11   2.225% * 23.9735% (0.17   1.0   5.44  35.96) =   0.807%  kept
          HD3   PRO   58 - HN    PHE   60   4.12 +/- 0.35  10.230% *  0.0311% (0.06   1.0   0.02   0.02) =   0.005%
          HA    ILE  119 - HN    PHE   60   9.10 +/- 0.87   0.092% *  0.1595% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  12.01 +/- 1.01   0.016% *  0.1359% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.94 +/- 1.03   0.020% *  0.0440% (0.08   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  13.27 +/- 1.78   0.010% *  0.0797% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.72 +/- 1.05   0.007% *  0.0667% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.32 +/- 0.83   0.002% *  0.1485% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  12.12 +/- 0.94   0.015% *  0.0172% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  16.85 +/- 0.65   0.002% *  0.1150% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  20.01 +/- 1.20   0.001% *  0.0635% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.14 +/- 0.86   0.001% *  0.0369% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  23.15 +/- 1.35   0.000% *  0.0820% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 3.99, residual support = 19.2:
      O   HA    PHE   59 - HN    PHE   60   3.58 +/- 0.05  78.143% * 99.4803% (0.99  10.0   3.99  19.21) =  99.995%  kept
          HA    ILE   56 - HN    PHE   60   4.74 +/- 0.76  19.342% *  0.0154% (0.15   1.0   0.02   2.16) =   0.004%
          HA    ASP- 113 - HN    THR  118   6.66 +/- 0.33   1.974% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   9.33 +/- 1.17   0.333% *  0.0802% (0.80   1.0   0.02  10.13) =   0.000%
          HA    ASP- 113 - HN    PHE   60  12.54 +/- 0.67   0.046% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.87 +/- 0.93   0.112% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  15.80 +/- 0.83   0.011% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  18.72 +/- 0.79   0.004% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  18.37 +/- 1.42   0.005% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  18.43 +/- 0.99   0.004% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  17.84 +/- 0.83   0.005% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  17.08 +/- 1.42   0.008% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  17.51 +/- 1.95   0.007% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  23.89 +/- 0.98   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.85 +/- 0.78   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  27.32 +/- 1.08   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.16 +/- 1.15   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  22.47 +/- 0.94   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.53 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.906, support = 4.79, residual support = 66.3:
      O   HA    PHE   60 - HN    PHE   60   2.79 +/- 0.05  38.795% * 94.1590% (0.96  10.0   4.94  71.94) =  91.521%  kept
          QB    SER  117 - HN    THR  118   2.59 +/- 0.19  60.959% *  5.5519% (0.36   1.0   3.15   5.32) =   8.479%  kept
          HA    LYS+ 121 - HN    THR  118   6.77 +/- 0.34   0.204% *  0.0138% (0.14   1.0   0.02   8.40) =   0.000%
          HA    PHE   60 - HN    THR  118  10.33 +/- 0.84   0.018% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.98 +/- 0.54   0.006% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.50 +/- 0.60   0.008% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.46 +/- 0.65   0.003% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  16.45 +/- 0.74   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.67 +/- 0.85   0.003% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  15.25 +/- 0.78   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  20.39 +/- 1.21   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.72 +/- 0.79   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.18 +/- 0.95   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.83 +/- 1.05   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  28.70 +/- 1.20   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.48, support = 3.22, residual support = 18.2:
          HG12  ILE  119 - HN    THR  118   4.28 +/- 0.26  11.229% * 65.6321% (0.72   4.83  35.96) =  38.031%  kept
          QG    GLU-  15 - HN    GLU-  15   3.31 +/- 0.64  56.124% * 12.8768% (0.32   2.15  11.44) =  37.294%  kept
          QG    GLU-  14 - HN    GLU-  15   3.82 +/- 0.69  29.276% * 16.3151% (0.36   2.36   1.17) =  24.649%  kept
          HB2   ASP-  44 - HN    PHE   60   7.30 +/- 0.99   0.643% *  0.3371% (0.89   0.02   3.02) =   0.011%
          HG12  ILE  119 - HN    PHE   60   7.28 +/- 0.76   0.439% *  0.3371% (0.89   0.02   0.02) =   0.008%
          HB2   ASP- 105 - HN    THR  118   5.96 +/- 0.80   1.949% *  0.0410% (0.11   0.02   5.07) =   0.004%
          HB3   PHE   72 - HN    PHE   60   9.97 +/- 1.03   0.077% *  0.3628% (0.96   0.02   4.30) =   0.001%
          HB3   PHE   72 - HN    GLU-  15   9.95 +/- 1.08   0.095% *  0.1443% (0.38   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  15   9.86 +/- 1.19   0.103% *  0.0510% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.98 +/- 1.02   0.009% *  0.2717% (0.72   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  13.74 +/- 0.85   0.010% *  0.1545% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  16.15 +/- 0.77   0.004% *  0.3726% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  16.01 +/- 0.87   0.005% *  0.3010% (0.79   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.86 +/- 0.68   0.004% *  0.2924% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  17.56 +/- 1.15   0.002% *  0.3470% (0.91   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  12.86 +/- 0.76   0.014% *  0.0509% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  15.51 +/- 0.79   0.005% *  0.1341% (0.35   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  18.58 +/- 1.76   0.002% *  0.3003% (0.79   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  16.14 +/- 1.39   0.004% *  0.1246% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  20.22 +/- 1.12   0.001% *  0.2426% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.59 +/- 1.67   0.003% *  0.0787% (0.21   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  20.28 +/- 1.03   0.001% *  0.1341% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  23.76 +/- 1.12   0.000% *  0.2797% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  23.18 +/- 1.50   0.000% *  0.1978% (0.52   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  25.08 +/- 1.17   0.000% *  0.1282% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  26.04 +/- 1.62   0.000% *  0.1482% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.99 +/- 0.72   0.000% *  0.1594% (0.42   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  29.98 +/- 1.63   0.000% *  0.1033% (0.27   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  22.71 +/- 0.91   0.000% *  0.0202% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.62 +/- 0.92   0.000% *  0.0615% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.0786, support = 2.02, residual support = 11.0:
      O   QB    GLU-  15 - HN    GLU-  15   2.96 +/- 0.36  85.301% * 48.6155% (0.06  10.0   2.07  11.44) =  96.549%  kept
          QB    GLU- 114 - HN    THR  118   4.64 +/- 0.60   9.747% * 11.4025% (0.48   1.0   0.59   0.02) =   2.587%  kept
          HG3   PRO   58 - HN    PHE   60   6.23 +/- 0.29   1.109% * 32.1467% (0.89   1.0   0.90   0.02) =   0.830%  kept
          HB2   LEU  115 - HN    THR  118   5.72 +/- 0.26   1.802% *  0.5538% (0.69   1.0   0.02   0.02) =   0.023%
          HB2   LEU  115 - HN    PHE   60   7.82 +/- 0.63   0.290% *  0.6872% (0.86   1.0   0.02   0.02) =   0.005%
          HB    ILE   19 - HN    GLU-  15   8.72 +/- 1.15   0.236% *  0.2164% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    GLU-  15   6.66 +/- 0.64   0.999% *  0.0486% (0.06   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    PHE   60   9.08 +/- 1.31   0.138% *  0.1976% (0.25   1.0   0.02   3.50) =   0.001%
          QB    GLU- 114 - HN    PHE   60  10.99 +/- 0.87   0.042% *  0.4805% (0.60   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  15  10.58 +/- 1.60   0.081% *  0.2408% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  10.38 +/- 1.24   0.092% *  0.1534% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    PHE   60  11.47 +/- 0.84   0.032% *  0.3856% (0.48   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  13.82 +/- 1.12   0.010% *  0.5726% (0.72   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  14.12 +/- 1.21   0.009% *  0.5442% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15  10.43 +/- 0.75   0.065% *  0.0786% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  14.13 +/- 1.64   0.010% *  0.3108% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  15.77 +/- 0.93   0.005% *  0.6055% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  12.46 +/- 1.01   0.018% *  0.1222% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  17.58 +/- 1.67   0.003% *  0.4880% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.73 +/- 0.70   0.005% *  0.1222% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.57 +/- 0.87   0.001% *  0.4386% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.49 +/- 1.70   0.002% *  0.1592% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.69 +/- 1.13   0.001% *  0.2826% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  19.91 +/- 0.76   0.001% *  0.0985% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.38 +/- 1.34   0.001% *  0.0985% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  24.29 +/- 0.88   0.000% *  0.2733% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  23.51 +/- 1.41   0.000% *  0.2203% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.60 +/- 1.17   0.001% *  0.0876% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  24.54 +/- 1.09   0.000% *  0.1911% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  29.27 +/- 1.03   0.000% *  0.1775% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0921, support = 2.16, residual support = 2.16:
          QG1   ILE   56 - HN    PHE   60   4.34 +/- 0.61  88.910% * 44.9738% (0.09   2.17   2.16) =  99.735%  kept
          HG3   PRO   93 - HN    PHE   60   9.19 +/- 1.48   1.593% *  1.6020% (0.36   0.02   0.02) =   0.064%
          QD    LYS+ 106 - HN    THR  118   9.03 +/- 1.08   2.000% *  0.9895% (0.22   0.02   2.84) =   0.049%
          HB2   LEU  123 - HN    THR  118   8.94 +/- 0.58   1.476% *  0.9486% (0.21   0.02   0.02) =   0.035%
          HD2   LYS+ 111 - HN    THR  118   9.72 +/- 0.89   0.942% *  1.1611% (0.26   0.02   0.02) =   0.027%
          QG1   ILE   56 - HN    THR  118   7.92 +/- 0.71   3.475% *  0.2344% (0.05   0.02   0.02) =   0.020%
          HB2   LEU   73 - HN    GLU-  15  13.62 +/- 1.03   0.130% *  4.3348% (0.97   0.02   0.02) =   0.014%
          HB3   MET   92 - HN    PHE   60  12.47 +/- 0.75   0.199% *  2.0963% (0.47   0.02   0.02) =   0.010%
          HG3   PRO   93 - HN    THR  118  11.96 +/- 1.72   0.375% *  0.9053% (0.20   0.02   0.02) =   0.008%
          HB2   LEU   73 - HN    PHE   60  13.66 +/- 0.85   0.126% *  2.0231% (0.45   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    PHE   60  13.73 +/- 0.85   0.126% *  1.7510% (0.39   0.02   0.02) =   0.005%
          HD2   LYS+ 111 - HN    PHE   60  14.11 +/- 1.40   0.097% *  2.0548% (0.46   0.02   0.02) =   0.005%
          HB2   LEU  123 - HN    PHE   60  14.35 +/- 0.76   0.090% *  1.6786% (0.37   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    THR  118  13.33 +/- 1.08   0.144% *  0.9486% (0.21   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    GLU-  15  16.97 +/- 1.57   0.036% *  3.5966% (0.80   0.02   0.02) =   0.003%
          HB3   MET   92 - HN    THR  118  14.35 +/- 1.47   0.098% *  1.1846% (0.26   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    PHE   60  17.01 +/- 0.97   0.032% *  1.6786% (0.37   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  17.16 +/- 1.71   0.036% *  1.0000% (0.22   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  21.28 +/- 1.28   0.008% *  3.5966% (0.80   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    THR  118  16.84 +/- 1.37   0.038% *  0.6707% (0.15   0.02   0.02) =   0.001%
          HB2   LEU   73 - HN    THR  118  18.75 +/- 1.06   0.017% *  1.1432% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  23.14 +/- 1.18   0.005% *  3.7517% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  22.36 +/- 1.73   0.006% *  2.5430% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  20.74 +/- 1.23   0.011% *  1.1868% (0.26   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  20.06 +/- 0.72   0.011% *  0.8889% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  25.78 +/- 1.42   0.002% *  3.4326% (0.76   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  28.13 +/- 0.86   0.001% *  4.4917% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  30.90 +/- 1.46   0.001% *  4.4027% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  22.61 +/- 0.84   0.006% *  0.4667% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  20.82 +/- 1.10   0.009% *  0.2637% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 1 structures by 0.31 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.65, residual support = 40.5:
          QB    ALA   61 - HN    PHE   60   4.35 +/- 0.13  64.198% * 72.6116% (0.25   2.67  40.76) =  99.391%  kept
          HG12  ILE   19 - HN    GLU-  15   7.19 +/- 1.22   5.595% *  1.8513% (0.84   0.02   0.02) =   0.221%
          HD3   LYS+ 121 - HN    THR  118   5.87 +/- 1.37  18.949% *  0.5396% (0.24   0.02   8.40) =   0.218%
          QB    ALA   12 - HN    GLU-  15   6.94 +/- 0.95   5.413% *  0.8318% (0.38   0.02   0.02) =   0.096%
          QB    ALA  110 - HN    PHE   60   8.65 +/- 1.80   1.696% *  0.7905% (0.36   0.02   0.02) =   0.029%
          HB3   LEU   67 - HN    GLU-  15  10.66 +/- 1.42   0.670% *  0.8318% (0.38   0.02   0.02) =   0.012%
          QB    ALA  110 - HN    THR  118  10.08 +/- 0.91   0.644% *  0.4467% (0.20   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    PHE   60   8.93 +/- 1.07   1.198% *  0.2303% (0.10   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    GLU-  15  11.66 +/- 0.96   0.205% *  1.1661% (0.53   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    PHE   60  11.89 +/- 1.24   0.191% *  0.9277% (0.42   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  13.84 +/- 1.05   0.073% *  1.9877% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    PHE   60  12.13 +/- 0.94   0.154% *  0.3882% (0.18   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  10.50 +/- 1.40   0.453% *  0.1301% (0.06   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.73 +/- 1.64   0.053% *  0.8640% (0.39   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.80 +/- 1.11   0.047% *  0.9549% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.36 +/- 0.97   0.088% *  0.4934% (0.22   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  16.43 +/- 1.32   0.026% *  1.4338% (0.65   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.74 +/- 0.75   0.108% *  0.3075% (0.14   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    PHE   60  15.04 +/- 0.78   0.040% *  0.6692% (0.30   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    THR  118  14.03 +/- 0.63   0.060% *  0.3781% (0.17   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  17.80 +/- 1.33   0.016% *  1.0252% (0.46   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  14.22 +/- 1.53   0.066% *  0.2194% (0.10   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  17.81 +/- 1.69   0.016% *  0.7511% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  21.86 +/- 1.29   0.004% *  2.1968% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  20.96 +/- 1.44   0.006% *  1.6094% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  23.75 +/- 2.16   0.003% *  2.0460% (0.92   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  23.14 +/- 1.37   0.003% *  1.6938% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.92 +/- 0.94   0.007% *  0.5242% (0.24   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  21.30 +/- 1.83   0.005% *  0.4882% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  21.01 +/- 1.11   0.005% *  0.3882% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  23.27 +/- 1.53   0.003% *  0.5794% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  23.49 +/- 1.84   0.003% *  0.4245% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  25.89 +/- 1.49   0.002% *  0.2194% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.69, residual support = 25.4:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.09  98.585% * 99.2769% (0.89  10.0   3.69  25.39) =  99.999%  kept
          QG2   THR   23 - HN    LEU   80   5.53 +/- 0.85   0.395% *  0.0983% (0.89   1.0   0.02   5.86) =   0.000%
          QG2   THR   39 - HN    ALA   34   5.82 +/- 1.39   0.778% *  0.0308% (0.28   1.0   0.02   6.64) =   0.000%
          QG2   THR   77 - HN    LEU   80   5.73 +/- 0.48   0.222% *  0.0221% (0.20   1.0   0.02   0.56) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.98 +/- 0.41   0.015% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.14 +/- 0.72   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.18 +/- 1.27   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.65 +/- 0.68   0.002% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.27 +/- 0.51   0.001% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.28 +/- 0.96   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.33 +/- 0.81   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.28 +/- 1.10   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  22.74 +/- 0.85   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.01 +/- 0.98   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.564, support = 3.5, residual support = 25.4:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.602% * 82.6450% (0.56  10.0   3.50  25.39) =  99.466%  kept
          HA    LYS+  81 - HN    LEU   80   5.03 +/- 0.18   2.680% * 15.9785% (0.47   1.0   4.65  32.56) =   0.533%  kept
          HA    GLU-  36 - HN    ALA   34   6.91 +/- 0.05   0.389% *  0.0600% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.76 +/- 0.21   0.197% *  0.1116% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.37 +/- 1.59   0.114% *  0.0548% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.24 +/- 0.43   0.013% *  0.0999% (0.68   1.0   0.02   1.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.03 +/- 0.99   0.001% *  0.1282% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.67 +/- 1.89   0.000% *  0.1348% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.21 +/- 0.64   0.001% *  0.0740% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.52 +/- 1.29   0.000% *  0.0949% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.26 +/- 0.80   0.000% *  0.0768% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.64 +/- 2.08   0.001% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.91 +/- 0.63   0.000% *  0.1060% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.24 +/- 0.90   0.000% *  0.1431% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.78 +/- 0.53   0.000% *  0.0538% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.16 +/- 1.38   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.73 +/- 1.42   0.000% *  0.1207% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.25 +/- 0.91   0.000% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.976, support = 6.77, residual support = 41.4:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  75.674% * 91.1591% (0.99  10.0   6.81  42.27) =  98.013%  kept
          HA    GLN   32 - HN    ALA   34   4.59 +/- 0.18  18.108% *  7.7071% (0.34   1.0   4.91   0.02) =   1.983%  kept
          HA    GLU-  29 - HN    ALA   34   7.22 +/- 0.33   1.223% *  0.0912% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    LEU   80   7.23 +/- 0.60   1.315% *  0.0779% (0.85   1.0   0.02   0.28) =   0.001%
          HB2   SER   37 - HN    ALA   34   6.37 +/- 0.54   3.067% *  0.0161% (0.17   1.0   0.02   0.98) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.53 +/- 0.72   0.250% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.22 +/- 1.31   0.228% *  0.0500% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.04 +/- 0.73   0.036% *  0.0902% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.48 +/- 0.65   0.047% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.21 +/- 0.41   0.014% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.48 +/- 0.71   0.012% *  0.0807% (0.88   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.34 +/- 1.09   0.003% *  0.0870% (0.94   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.89 +/- 1.05   0.011% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.64 +/- 0.64   0.002% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.50 +/- 0.58   0.002% *  0.0660% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.72 +/- 0.56   0.004% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.64 +/- 0.93   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  24.99 +/- 1.47   0.001% *  0.0660% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.04 +/- 1.07   0.001% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.70 +/- 0.90   0.001% *  0.0558% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.79 +/- 0.78   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.27 +/- 0.83   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.76, support = 5.47, residual support = 41.9:
          HG3   LYS+  33 - HN    ALA   34   3.53 +/- 0.08  91.713% * 82.9921% (0.76   5.51  42.27) =  99.079%  kept
          QB    ALA   84 - HN    LEU   80   5.60 +/- 0.42   6.664% * 10.5686% (0.54   0.99   0.02) =   0.917%  kept
          HB3   LEU   73 - HN    ALA   34   9.38 +/- 0.75   0.288% *  0.3535% (0.89   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   34  10.90 +/- 1.37   0.249% *  0.1918% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   80  10.60 +/- 0.77   0.142% *  0.3166% (0.80   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.40 +/- 0.78   0.596% *  0.0690% (0.17   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   34  11.02 +/- 0.43   0.102% *  0.3292% (0.83   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.15 +/- 1.64   0.032% *  0.3638% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  13.71 +/- 2.15   0.055% *  0.1479% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  12.28 +/- 0.63   0.055% *  0.0880% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  15.39 +/- 1.42   0.019% *  0.2284% (0.58   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  16.66 +/- 0.57   0.009% *  0.2949% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  18.04 +/- 0.87   0.005% *  0.3933% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  16.50 +/- 1.23   0.010% *  0.1718% (0.44   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  17.55 +/- 0.81   0.006% *  0.2391% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  19.25 +/- 1.31   0.004% *  0.3522% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  19.18 +/- 1.52   0.004% *  0.2698% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  19.81 +/- 1.44   0.003% *  0.3292% (0.83   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.48 +/- 0.66   0.009% *  0.0983% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  15.70 +/- 1.06   0.013% *  0.0618% (0.16   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  19.62 +/- 1.82   0.004% *  0.1479% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  22.05 +/- 1.47   0.002% *  0.2949% (0.75   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.30 +/- 0.99   0.007% *  0.0690% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  23.89 +/- 2.16   0.001% *  0.3259% (0.82   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  23.14 +/- 1.15   0.001% *  0.2550% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.21 +/- 1.96   0.001% *  0.3407% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  18.75 +/- 0.95   0.004% *  0.0618% (0.16   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  22.12 +/- 2.21   0.002% *  0.1325% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  29.73 +/- 0.94   0.000% *  0.3804% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.13 +/- 1.33   0.000% *  0.1325% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.24 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.726, support = 5.83, residual support = 42.1:
          QB    LYS+  33 - HN    ALA   34   2.88 +/- 0.18  95.853% * 52.7972% (0.72   5.86  42.27) =  98.000%  kept
          QB    LYS+  81 - HN    LEU   80   5.49 +/- 0.36   2.372% * 43.4048% (0.78   4.50  32.56) =   1.994%  kept
          HB3   GLN   30 - HN    ALA   34   5.91 +/- 0.45   1.596% *  0.1705% (0.69   0.02   0.44) =   0.005%
          HB3   LYS+  38 - HN    ALA   34   8.99 +/- 0.17   0.111% *  0.2153% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.33 +/- 1.76   0.024% *  0.1780% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.79 +/- 0.81   0.014% *  0.1527% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.81 +/- 0.85   0.004% *  0.1994% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.61 +/- 0.62   0.003% *  0.2226% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.50 +/- 0.86   0.005% *  0.1306% (0.52   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.86 +/- 1.19   0.004% *  0.1170% (0.47   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  17.05 +/- 0.75   0.003% *  0.1615% (0.65   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.69 +/- 1.07   0.001% *  0.2146% (0.86   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.19 +/- 0.67   0.002% *  0.1208% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  18.30 +/- 1.08   0.002% *  0.1506% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.23 +/- 0.67   0.001% *  0.2153% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.68 +/- 1.42   0.001% *  0.1259% (0.51   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.24 +/- 2.09   0.001% *  0.1170% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.25 +/- 1.17   0.001% *  0.1349% (0.54   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.18 +/- 0.64   0.000% *  0.2396% (0.96   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  25.95 +/- 1.24   0.000% *  0.1988% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.00 +/- 1.48   0.001% *  0.0758% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.86 +/- 0.75   0.000% *  0.1929% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  26.61 +/- 1.08   0.000% *  0.1306% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.56 +/- 1.42   0.000% *  0.0847% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  26.98 +/- 0.94   0.000% *  0.1082% (0.44   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.88 +/- 1.06   0.000% *  0.1406% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.497, support = 7.36, residual support = 79.7:
      O   HA    LEU   80 - HN    LEU   80   2.83 +/- 0.04  89.296% * 71.9677% (0.50  10.0   7.43  80.53) =  98.979%  kept
          HA    THR   23 - HN    LEU   80   4.60 +/- 0.60   5.844% *  5.9248% (0.85   1.0   0.97   5.86) =   0.533%  kept
          HA    ASP-  78 - HN    LEU   80   5.81 +/- 0.47   1.453% * 21.6962% (0.94   1.0   3.18   2.44) =   0.485%
          HB    THR   23 - HN    LEU   80   5.76 +/- 1.39   3.398% *  0.0513% (0.36   1.0   0.02   5.86) =   0.003%
          HA    THR   23 - HN    ALA   34  15.16 +/- 0.40   0.004% *  0.1014% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  16.11 +/- 0.57   0.003% *  0.0424% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  18.19 +/- 0.96   0.001% *  0.0595% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.80 +/- 0.61   0.000% *  0.1128% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.88 +/- 0.56   0.001% *  0.0198% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  22.03 +/- 0.98   0.000% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.757, support = 5.46, residual support = 48.6:
      O   HA    GLU-  79 - HN    LEU   80   3.60 +/- 0.09  95.962% * 98.8868% (0.76  10.0   5.46  48.59) =  99.998%  kept
          HB    THR   77 - HN    LEU   80   6.69 +/- 0.61   2.797% *  0.0381% (0.29   1.0   0.02   0.56) =   0.001%
          HA    THR   39 - HN    ALA   34   7.83 +/- 0.38   0.953% *  0.0886% (0.68   1.0   0.02   6.64) =   0.001%
          HA    SER   85 - HN    LEU   80  11.00 +/- 0.39   0.123% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  12.06 +/- 0.63   0.073% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.52 +/- 0.76   0.036% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  16.38 +/- 1.02   0.012% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  18.00 +/- 0.96   0.007% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.62 +/- 0.49   0.015% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  19.75 +/- 1.52   0.004% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.25 +/- 0.60   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  18.58 +/- 2.79   0.008% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  22.78 +/- 0.98   0.002% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.44 +/- 0.72   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  22.42 +/- 1.14   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.42 +/- 0.93   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.84 +/- 0.64   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.47 +/- 0.73   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  27.50 +/- 1.16   0.001% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  29.53 +/- 3.20   0.000% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.789, support = 5.48, residual support = 48.1:
          HB3   GLU-  79 - HN    LEU   80   2.68 +/- 0.60  96.040% * 76.2970% (0.79   5.52  48.59) =  98.990%  kept
          QB    GLU-  36 - HN    ALA   34   5.15 +/- 0.18   3.494% * 21.3670% (0.70   1.74   0.02) =   1.008%  kept
          HB3   GLU-  29 - HN    ALA   34   8.22 +/- 0.48   0.205% *  0.2731% (0.78   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ALA   34   8.54 +/- 0.20   0.162% *  0.0845% (0.24   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.18 +/- 0.60   0.051% *  0.2092% (0.60   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.71 +/- 1.70   0.031% *  0.3056% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.92 +/- 0.56   0.009% *  0.2530% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.88 +/- 0.74   0.005% *  0.3303% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.14 +/- 0.88   0.001% *  0.2286% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.87 +/- 0.57   0.001% *  0.2969% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  26.01 +/- 0.99   0.000% *  0.2527% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  26.11 +/- 0.76   0.000% *  0.1022% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.71 +/- 0.01  99.991% * 98.7794% (0.80 10.00   4.04  18.79) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.16 +/- 0.52   0.001% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  17.66 +/- 2.23   0.002% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.76 +/- 0.71   0.004% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.44 +/- 0.90   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.13 +/- 2.57   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.02 +/- 1.35   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.52 +/- 0.58   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 5.18, residual support = 32.6:
          HN    LYS+  81 - HN    LEU   80   3.82 +/- 0.26  97.520% * 98.3604% (0.89   5.18  32.56) =  99.998%  kept
          HE3   TRP   27 - HN    LEU   80   8.17 +/- 1.56   1.977% *  0.0848% (0.20   0.02   8.61) =   0.002%
          HE3   TRP   27 - HN    ALA   34  10.54 +/- 1.74   0.393% *  0.0947% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  13.21 +/- 0.74   0.065% *  0.3051% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.97 +/- 1.21   0.023% *  0.3406% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.45 +/- 0.77   0.004% *  0.4244% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.01 +/- 0.69   0.010% *  0.1313% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  20.05 +/- 1.36   0.005% *  0.0667% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  22.44 +/- 0.72   0.003% *  0.1176% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  26.21 +/- 1.00   0.001% *  0.0745% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.664, support = 1.11, residual support = 1.92:
          HA    GLN   30 - HN    ALA   34   4.70 +/- 0.29  47.793% * 26.8284% (0.80   0.89   0.44) =  50.306%  kept
          HB3   SER   37 - HN    ALA   34   5.06 +/- 0.36  32.408% * 20.7675% (0.45   1.23   0.98) =  26.405%  kept
          HB    THR   39 - HN    ALA   34   5.85 +/- 0.67  16.197% * 34.1671% (0.61   1.50   6.64) =  21.713%  kept
          HB3   SER   82 - HN    LEU   80   7.53 +/- 0.54   3.139% * 12.7467% (0.82   0.41   0.28) =   1.570%  kept
          HA    ILE   89 - HN    LEU   80  11.64 +/- 0.73   0.229% *  0.3016% (0.40   0.02   0.02) =   0.003%
          QB    SER   13 - HN    ALA   34  15.20 +/- 1.81   0.063% *  0.4859% (0.65   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    LEU   80  15.24 +/- 0.64   0.043% *  0.5387% (0.72   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  14.38 +/- 0.92   0.062% *  0.2525% (0.34   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  17.28 +/- 1.13   0.021% *  0.5836% (0.78   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   34  18.32 +/- 1.03   0.015% *  0.6933% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.65 +/- 1.09   0.005% *  0.4080% (0.54   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  23.38 +/- 1.89   0.004% *  0.4352% (0.58   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  22.09 +/- 0.80   0.005% *  0.3367% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  22.72 +/- 0.89   0.004% *  0.3016% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.59 +/- 0.65   0.005% *  0.1159% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  24.95 +/- 0.81   0.002% *  0.2819% (0.37   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  22.09 +/- 1.16   0.005% *  0.1038% (0.14   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.93 +/- 0.86   0.001% *  0.6515% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.755, support = 1.72, residual support = 4.63:
          HA    LEU   31 - HN    ALA   34   2.96 +/- 0.10  88.507% * 86.4238% (0.76   1.74   4.71) =  98.201%  kept
          HA    THR   77 - HN    LEU   80   4.36 +/- 0.60  11.489% * 12.1960% (0.34   0.56   0.56) =   1.799%  kept
          HA    LEU   31 - HN    LEU   80  15.98 +/- 0.62   0.004% *  0.8914% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.26 +/- 0.80   0.001% *  0.4888% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.326, support = 2.44, residual support = 3.64:
          HA    ASP-  78 - HN    LEU   80   5.81 +/- 0.47  20.450% * 78.7418% (0.40   3.18   2.44) =  66.755%  kept
          HA    THR   23 - HN    LEU   80   4.60 +/- 0.60  71.373% * 10.5599% (0.18   0.97   5.86) =  31.246%  kept
          HA    VAL   41 - HN    ALA   34   7.01 +/- 0.37   5.727% *  8.1013% (0.17   0.75   9.31) =   1.923%  kept
          HA    PHE   45 - HN    LEU   80   8.21 +/- 0.63   2.345% *  0.7589% (0.61   0.02   0.02) =   0.074%
          HA    PHE   45 - HN    ALA   34  17.25 +/- 0.58   0.025% *  0.8473% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.16 +/- 0.40   0.052% *  0.2441% (0.20   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    LEU   80  17.09 +/- 0.71   0.025% *  0.1935% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.80 +/- 0.61   0.003% *  0.5530% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.719, support = 3.36, residual support = 10.9:
          HB2   ASP-  76 - HN    LEU   80   3.91 +/- 0.46  75.439% * 26.1675% (0.75   2.84   3.86) =  70.301%  kept
          QE    LYS+  33 - HN    ALA   34   5.27 +/- 0.43  15.809% * 33.2953% (0.52   5.15  42.27) =  18.746%  kept
          HB2   ASP-  78 - HN    LEU   80   5.91 +/- 0.62   7.834% * 39.2521% (0.88   3.64   2.44) =  10.951%  kept
          HB2   ASN   28 - HN    ALA   34   9.58 +/- 0.33   0.390% *  0.1011% (0.41   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  13.02 +/- 1.23   0.076% *  0.1786% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    LEU   80   9.98 +/- 0.43   0.309% *  0.0298% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    LEU   80  12.19 +/- 0.60   0.094% *  0.0905% (0.37   0.02   1.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.63 +/- 0.82   0.007% *  0.2054% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.45 +/- 1.63   0.012% *  0.1159% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.90 +/- 1.79   0.008% *  0.0684% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.92 +/- 1.23   0.013% *  0.0333% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.28 +/- 0.86   0.002% *  0.2410% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.16 +/- 1.61   0.005% *  0.0612% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.20 +/- 0.72   0.001% *  0.1599% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.39, residual support = 48.6:
          HB2   GLU-  79 - HN    LEU   80   2.59 +/- 0.75  99.354% * 94.5492% (0.44   5.39  48.59) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.34 +/- 0.42   0.572% *  0.2745% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    LEU   80  11.02 +/- 0.99   0.054% *  0.7065% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.25 +/- 0.40   0.006% *  0.7888% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  17.36 +/- 1.33   0.004% *  0.6252% (0.78   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  16.55 +/- 2.25   0.005% *  0.2459% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.20 +/- 0.84   0.001% *  0.3917% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.49 +/- 1.94   0.001% *  0.2963% (0.37   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.23 +/- 1.27   0.001% *  0.2705% (0.34   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.87 +/- 1.32   0.001% *  0.3308% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.10 +/- 1.36   0.000% *  0.3020% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  29.34 +/- 1.20   0.000% *  0.6981% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.48 +/- 0.67   0.000% *  0.2459% (0.30   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  27.62 +/- 1.25   0.000% *  0.2745% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.772, support = 5.46, residual support = 47.8:
          HB3   GLU-  79 - HN    LEU   80   2.68 +/- 0.60  90.471% * 68.3201% (0.78   5.52  48.59) =  98.346%  kept
          QB    GLU-  36 - HN    ALA   34   5.15 +/- 0.18   3.117% * 22.2127% (0.80   1.74   0.02) =   1.101%  kept
          QB    GLN   32 - HN    ALA   34   4.84 +/- 0.12   4.381% *  7.8973% (0.17   2.83   0.02) =   0.551%  kept
          HB    VAL   24 - HN    LEU   80   5.72 +/- 0.66   1.671% *  0.0636% (0.20   0.02  11.11) =   0.002%
          HB3   GLU-  29 - HN    ALA   34   8.22 +/- 0.48   0.182% *  0.1551% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    ALA   34   9.66 +/- 0.92   0.081% *  0.1551% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34  10.18 +/- 0.60   0.045% *  0.0558% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.71 +/- 1.70   0.028% *  0.0881% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.88 +/- 0.74   0.005% *  0.1389% (0.44   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.92 +/- 0.56   0.008% *  0.0500% (0.16   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.68 +/- 0.42   0.006% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  19.14 +/- 0.88   0.001% *  0.2764% (0.87   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  15.99 +/- 0.61   0.003% *  0.0500% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.87 +/- 0.57   0.001% *  0.2286% (0.72   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  24.25 +/- 1.12   0.000% *  0.1389% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  26.01 +/- 0.99   0.000% *  0.0984% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.683, support = 0.276, residual support = 0.553:
          QG1   VAL   75 - HN    LEU   80   4.13 +/- 0.58  99.863% * 79.0002% (0.68   0.28   0.55) =  99.989%  kept
          QG1   VAL   75 - HN    ALA   34  13.57 +/- 0.64   0.108% *  6.3833% (0.76   0.02   0.02) =   0.009%
          QD1   LEU  115 - HN    LEU   80  18.02 +/- 1.31   0.021% *  6.9060% (0.82   0.02   0.02) =   0.002%
          QD1   LEU  115 - HN    ALA   34  20.70 +/- 0.81   0.009% *  7.7104% (0.92   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 0 structures by 0.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.237, support = 7.11, residual support = 80.1:
          QD1   LEU   80 - HN    LEU   80   2.39 +/- 0.71  83.627% * 26.1442% (0.18   7.21  80.53) =  72.840%  kept
          QD2   LEU   80 - HN    LEU   80   3.63 +/- 0.46  14.067% * 56.8015% (0.40   6.92  80.53) =  26.621%  kept
          QG2   VAL   41 - HN    ALA   34   5.26 +/- 0.48   1.135% * 13.9505% (0.34   2.00   9.31) =   0.528%  kept
          QD1   LEU   73 - HN    ALA   34   5.59 +/- 0.72   0.945% *  0.3416% (0.83   0.02   0.02) =   0.011%
          QD2   LEU   98 - HN    ALA   34   8.02 +/- 0.99   0.144% *  0.0809% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   80  10.11 +/- 0.91   0.033% *  0.3060% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.51 +/- 1.52   0.008% *  0.1834% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.35 +/- 1.08   0.003% *  0.3668% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.51 +/- 0.63   0.003% *  0.3416% (0.83   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.06 +/- 0.80   0.009% *  0.1020% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  15.41 +/- 0.79   0.002% *  0.3060% (0.75   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  12.88 +/- 0.92   0.006% *  0.1250% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  12.74 +/- 0.93   0.009% *  0.0725% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  13.58 +/- 0.93   0.006% *  0.0809% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  16.99 +/- 0.99   0.001% *  0.3285% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.20 +/- 1.78   0.001% *  0.1783% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.48 +/- 1.65   0.000% *  0.1991% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.65 +/- 1.49   0.001% *  0.0913% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (0.82, 8.08, 121.56 ppm):
    6 chemical-shift based assignments, quality = 0.658, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  19.89 +/- 1.56  18.667% * 31.5414% (1.00   0.02   0.02) =  43.044%  kept
          HB3   LEU  104 - HN    ALA   34  16.42 +/- 0.63  54.576% *  7.0378% (0.22   0.02   0.02) =  28.081%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.31 +/- 0.99  11.946% * 14.1725% (0.45   0.02   0.02) =  12.378%  kept
          QD2   LEU  123 - HN    LEU   80  24.47 +/- 1.20   5.119% * 28.2508% (0.89   0.02   0.02) =  10.572%  kept
          HB3   LEU  104 - HN    LEU   80  23.47 +/- 1.28   6.570% *  6.3036% (0.20   0.02   0.02) =   3.028%  kept
          HG3   LYS+ 121 - HN    LEU   80  26.71 +/- 1.19   3.123% * 12.6939% (0.40   0.02   0.02) =   2.898%  kept
    Distance limit 4.36 A violated in 20 structures by 10.46 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.745, support = 5.83, residual support = 42.0:
          QB    LYS+  33 - HN    ALA   34   2.88 +/- 0.18  95.853% * 48.8409% (0.74   5.86  42.27) =  97.629%  kept
          QB    LYS+  81 - HN    LEU   80   5.49 +/- 0.36   2.372% * 47.8750% (0.94   4.50  32.56) =   2.368%  kept
          HB3   GLN   30 - HN    ALA   34   5.91 +/- 0.45   1.596% *  0.0725% (0.32   0.02   0.44) =   0.002%
          HB3   LYS+  38 - HN    ALA   34   8.99 +/- 0.17   0.111% *  0.1069% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.33 +/- 1.76   0.024% *  0.2090% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.79 +/- 0.81   0.014% *  0.0877% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.81 +/- 0.85   0.004% *  0.2132% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.50 +/- 0.86   0.005% *  0.1412% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  17.05 +/- 0.75   0.003% *  0.2017% (0.89   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.61 +/- 0.62   0.003% *  0.1763% (0.78   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.19 +/- 0.67   0.002% *  0.1347% (0.60   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.68 +/- 1.42   0.001% *  0.1781% (0.79   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  18.30 +/- 1.08   0.002% *  0.1529% (0.68   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.69 +/- 1.07   0.001% *  0.1629% (0.72   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.86 +/- 1.19   0.004% *  0.0593% (0.26   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.24 +/- 2.09   0.001% *  0.1707% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.23 +/- 0.67   0.001% *  0.1759% (0.78   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.25 +/- 1.17   0.001% *  0.1849% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  25.95 +/- 1.24   0.000% *  0.1728% (0.77   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.18 +/- 0.64   0.000% *  0.1347% (0.60   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  26.98 +/- 0.94   0.000% *  0.1629% (0.72   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.86 +/- 0.75   0.000% *  0.1293% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.00 +/- 1.48   0.001% *  0.0329% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.88 +/- 1.06   0.000% *  0.1472% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  26.61 +/- 1.08   0.000% *  0.0490% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.56 +/- 1.42   0.000% *  0.0272% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.241, support = 3.69, residual support = 25.4:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.09  99.350% * 98.3406% (0.24  10.0   3.69  25.39) =  99.998%  kept
          QG2   THR   23 - HN    LEU   80   5.53 +/- 0.85   0.397% *  0.2493% (0.61   1.0   0.02   5.86) =   0.001%
          QG2   THR   77 - HN    LEU   80   5.73 +/- 0.48   0.224% *  0.3086% (0.76   1.0   0.02   0.56) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.30 +/- 0.42   0.024% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  12.12 +/- 0.52   0.002% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.14 +/- 0.72   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.18 +/- 1.27   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.33 +/- 0.81   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.27 +/- 0.51   0.001% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  19.72 +/- 0.98   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.28 +/- 0.96   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  25.52 +/- 0.61   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.457, support = 6.39, residual support = 80.5:
      O   HB2   LEU   80 - HN    LEU   80   2.63 +/- 0.54  60.565% * 48.9726% (0.26  10.0   6.07  80.53) =  60.854%  kept
          HG    LEU   80 - HN    LEU   80   3.13 +/- 0.94  39.292% * 48.5592% (0.76   1.0   6.89  80.53) =  39.146%  kept
          HG    LEU   73 - HN    ALA   34   7.77 +/- 0.74   0.079% *  0.1216% (0.65   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34  10.63 +/- 1.43   0.014% *  0.1000% (0.54   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.21 +/- 0.84   0.025% *  0.0272% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  12.55 +/- 0.85   0.003% *  0.1471% (0.79   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.53 +/- 0.68   0.009% *  0.0497% (0.27   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  13.67 +/- 1.43   0.003% *  0.1058% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  14.06 +/- 0.94   0.002% *  0.1453% (0.78   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  15.15 +/- 0.97   0.001% *  0.1666% (0.89   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.84 +/- 0.79   0.001% *  0.1210% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.89 +/- 0.76   0.001% *  0.1166% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.40 +/- 1.00   0.001% *  0.1346% (0.72   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  16.82 +/- 1.12   0.001% *  0.1378% (0.74   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.86 +/- 1.26   0.001% *  0.0363% (0.20   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.42 +/- 0.85   0.000% *  0.1405% (0.75   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.24 +/- 0.82   0.002% *  0.0225% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  16.56 +/- 0.74   0.001% *  0.0405% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.03 +/- 1.38   0.000% *  0.1757% (0.94   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  22.43 +/- 1.01   0.000% *  0.1700% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  20.62 +/- 1.43   0.000% *  0.0601% (0.32   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  23.80 +/- 1.81   0.000% *  0.1279% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  23.06 +/- 0.48   0.000% *  0.1113% (0.60   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  20.91 +/- 1.13   0.000% *  0.0601% (0.32   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  22.14 +/- 2.18   0.000% *  0.0439% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  21.20 +/- 2.26   0.000% *  0.0255% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.28 +/- 0.87   0.000% *  0.0497% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  25.81 +/- 1.13   0.000% *  0.0308% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.751, support = 0.763, residual support = 8.83:
          QG1   VAL   41 - HN    ALA   34   4.38 +/- 0.58  69.395% * 48.8119% (0.78   0.75   9.31) =  90.121%  kept
          HG    LEU   31 - HN    ALA   34   6.25 +/- 0.28   9.197% * 38.6632% (0.51   0.92   4.71) =   9.460%  kept
          QD2   LEU   73 - HN    ALA   34   6.18 +/- 0.95  11.729% *  0.6350% (0.38   0.02   0.02) =   0.198%
          QG2   THR   46 - HN    LEU   80   7.64 +/- 1.08   4.302% *  0.9570% (0.57   0.02   0.02) =   0.110%
          QG1   VAL   43 - HN    ALA   34   8.50 +/- 0.44   1.389% *  1.2042% (0.72   0.02   0.02) =   0.044%
          QD1   ILE   19 - HN    ALA   34   8.08 +/- 0.99   2.334% *  0.3627% (0.22   0.02   0.02) =   0.023%
          QG1   VAL   43 - HN    LEU   80  10.31 +/- 1.02   0.543% *  1.4565% (0.87   0.02   0.02) =   0.021%
          QD2   LEU   73 - HN    LEU   80  11.09 +/- 0.86   0.343% *  0.7680% (0.46   0.02   0.02) =   0.007%
          QG2   VAL   18 - HN    LEU   80  12.85 +/- 1.68   0.198% *  1.1457% (0.69   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    LEU   80  13.46 +/- 1.10   0.097% *  1.0207% (0.61   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    ALA   34  13.10 +/- 0.52   0.102% *  0.9473% (0.57   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LEU   80  14.65 +/- 0.70   0.055% *  1.5743% (0.94   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   80  13.46 +/- 1.06   0.097% *  0.4387% (0.26   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   34  12.09 +/- 0.79   0.161% *  0.2285% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  16.62 +/- 0.74   0.024% *  0.7912% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  17.45 +/- 0.70   0.019% *  0.3934% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  19.37 +/- 1.06   0.010% *  0.2763% (0.17   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  21.52 +/- 0.80   0.005% *  0.3253% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.91, residual support = 80.5:
          QD2   LEU   80 - HN    LEU   80   3.63 +/- 0.46  82.913% * 97.3210% (0.85   6.92  80.53) =  99.962%  kept
          QD1   LEU   73 - HN    ALA   34   5.59 +/- 0.72   9.148% *  0.2543% (0.77   0.02   0.02) =   0.029%
          QG1   VAL   83 - HN    LEU   80   5.66 +/- 0.52   7.372% *  0.0782% (0.24   0.02   0.02) =   0.007%
          QD1   LEU   73 - HN    LEU   80  10.11 +/- 0.91   0.249% *  0.3075% (0.93   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ALA   34  12.51 +/- 1.52   0.075% *  0.2326% (0.70   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.06 +/- 0.80   0.076% *  0.1782% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.51 +/- 0.63   0.023% *  0.2543% (0.77   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  15.41 +/- 0.79   0.018% *  0.3075% (0.93   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  12.10 +/- 0.61   0.076% *  0.0647% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.35 +/- 1.08   0.028% *  0.1163% (0.35   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.20 +/- 1.78   0.005% *  0.2896% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  16.99 +/- 0.99   0.010% *  0.1407% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.65 +/- 1.49   0.004% *  0.2155% (0.65   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.48 +/- 1.65   0.003% *  0.2395% (0.72   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.276, residual support = 0.553:
          QG1   VAL   75 - HN    LEU   80   4.13 +/- 0.58  99.863% * 87.4378% (0.46   0.28   0.55) =  99.992%  kept
          QG1   VAL   75 - HN    ALA   34  13.57 +/- 0.64   0.108% *  5.2321% (0.38   0.02   0.02) =   0.006%
          QD1   LEU  115 - HN    LEU   80  18.02 +/- 1.31   0.021% *  4.0126% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  115 - HN    ALA   34  20.70 +/- 0.81   0.009% *  3.3176% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 1 structures by 0.15 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.624, support = 3.49, residual support = 25.3:
      O   HA    ALA   34 - HN    ALA   34   2.76 +/- 0.01  96.541% * 89.0188% (0.63  10.0   3.50  25.39) =  99.700%  kept
          HA    LYS+  81 - HN    LEU   80   5.03 +/- 0.18   2.678% *  9.6397% (0.29   1.0   4.65  32.56) =   0.299%
          HA    ASN   28 - HN    ALA   34   7.76 +/- 0.21   0.197% *  0.1052% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.91 +/- 0.05   0.389% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.37 +/- 1.59   0.114% *  0.0674% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.24 +/- 0.43   0.013% *  0.1272% (0.89   1.0   0.02   1.02) =   0.000%
          HA    THR   26 - HN    ALA   34   9.91 +/- 0.36   0.046% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.64 +/- 0.47   0.018% *  0.0235% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.03 +/- 0.99   0.001% *  0.1123% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.21 +/- 0.64   0.001% *  0.1077% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  21.52 +/- 1.29   0.000% *  0.1241% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.64 +/- 2.08   0.001% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.91 +/- 0.63   0.000% *  0.1026% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.67 +/- 1.89   0.000% *  0.0807% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.26 +/- 0.80   0.000% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.16 +/- 1.38   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  27.24 +/- 0.90   0.000% *  0.0929% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.25 +/- 0.91   0.000% *  0.0498% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.78 +/- 0.53   0.000% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.73 +/- 1.42   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.592, support = 1.71, residual support = 4.61:
          HA    LEU   31 - HN    ALA   34   2.96 +/- 0.10  88.507% * 82.6349% (0.60   1.74   4.71) =  97.586%  kept
          HA    THR   77 - HN    LEU   80   4.36 +/- 0.60  11.489% * 15.7468% (0.36   0.56   0.56) =   2.414%  kept
          HA    LEU   31 - HN    LEU   80  15.98 +/- 0.62   0.004% *  1.1510% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.26 +/- 0.80   0.001% *  0.4674% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.627, support = 3.52, residual support = 13.1:
          HB2   ASP-  76 - HN    LEU   80   3.91 +/- 0.46  75.439% * 19.9406% (0.57   2.84   3.86) =  62.128%  kept
          QE    LYS+  33 - HN    ALA   34   5.27 +/- 0.43  15.809% * 37.5860% (0.60   5.15  42.27) =  24.541%  kept
          HB2   ASP-  78 - HN    LEU   80   5.91 +/- 0.62   7.834% * 41.1920% (0.93   3.64   2.44) =  13.328%  kept
          HB2   ASN   28 - HN    ALA   34   9.58 +/- 0.33   0.390% *  0.1236% (0.51   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80   9.98 +/- 0.43   0.309% *  0.0643% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  12.19 +/- 0.60   0.094% *  0.1495% (0.61   0.02   1.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  13.02 +/- 1.23   0.076% *  0.0930% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.45 +/- 1.63   0.012% *  0.1766% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.63 +/- 0.82   0.007% *  0.1159% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.90 +/- 1.79   0.008% *  0.0930% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.92 +/- 1.23   0.013% *  0.0531% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.16 +/- 1.61   0.005% *  0.1125% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.28 +/- 0.86   0.002% *  0.1873% (0.77   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.20 +/- 0.72   0.001% *  0.1125% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.39, residual support = 48.6:
          HB2   GLU-  79 - HN    LEU   80   2.59 +/- 0.75  99.354% * 95.3059% (0.46   5.39  48.59) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.34 +/- 0.42   0.572% *  0.2049% (0.27   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    LEU   80  11.02 +/- 0.99   0.054% *  0.7122% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.25 +/- 0.40   0.006% *  0.5888% (0.77   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  17.36 +/- 1.33   0.004% *  0.6302% (0.82   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  16.55 +/- 2.25   0.005% *  0.2478% (0.32   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.49 +/- 1.94   0.001% *  0.2987% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.20 +/- 0.84   0.001% *  0.2924% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.23 +/- 1.27   0.001% *  0.2727% (0.36   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.87 +/- 1.32   0.001% *  0.2470% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.48 +/- 0.67   0.000% *  0.2478% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.10 +/- 1.36   0.000% *  0.2255% (0.29   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  29.34 +/- 1.20   0.000% *  0.5211% (0.68   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  27.62 +/- 1.25   0.000% *  0.2049% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.773, support = 6.78, residual support = 41.6:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  75.674% * 92.3734% (0.78  10.0   6.81  42.27) =  98.387%  kept
          HA    GLN   32 - HN    ALA   34   4.59 +/- 0.18  18.108% *  6.3094% (0.22   1.0   4.91   0.02) =   1.608%  kept
          HB2   SER   82 - HN    LEU   80   7.23 +/- 0.60   1.315% *  0.1002% (0.85   1.0   0.02   0.28) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.22 +/- 0.33   1.223% *  0.0891% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.37 +/- 0.54   3.067% *  0.0206% (0.17   1.0   0.02   0.98) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.53 +/- 0.72   0.250% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  10.22 +/- 1.31   0.228% *  0.0588% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.04 +/- 0.73   0.036% *  0.0874% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.48 +/- 0.65   0.047% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.21 +/- 0.41   0.014% *  0.1078% (0.91   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.48 +/- 0.71   0.012% *  0.1057% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.34 +/- 1.09   0.003% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.64 +/- 0.64   0.002% *  0.1117% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.89 +/- 1.05   0.011% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.50 +/- 0.58   0.002% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.72 +/- 0.56   0.004% *  0.0311% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  24.99 +/- 1.47   0.001% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.64 +/- 0.93   0.001% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.04 +/- 1.07   0.001% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.70 +/- 0.90   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.79 +/- 0.78   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.27 +/- 0.83   0.000% *  0.0143% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.334, support = 0.02, residual support = 0.255:
          HN    GLN   30 - HN    ALA   34   6.30 +/- 0.22  77.567% *  3.3143% (0.17  1.00   0.02   0.44) =  56.241%  kept
          HN    GLU-  29 - HN    ALA   34   8.51 +/- 0.23  12.708% * 11.4785% (0.61  1.00   0.02   0.02) =  31.911%  kept
          HN    ASP-  86 - HN    LEU   80   9.55 +/- 0.33   6.699% *  3.7738% (0.20  1.00   0.02   0.02) =   5.531%  kept
          HN    GLU-  29 - HN    LEU   80  12.53 +/- 0.40   1.284% * 10.2810% (0.54  1.00   0.02   0.02) =   2.888%  kept
          HN    VAL   18 - HN    ALA   34  15.34 +/- 0.94   0.408% * 13.7422% (0.72  1.00   0.02   0.02) =   1.227%  kept
        T HN    ASP-  86 - HN    ALA   34  19.11 +/- 1.16   0.106% * 42.1332% (0.22 10.00   0.02   0.02) =   0.977%  kept
          HN    GLN   30 - HN    LEU   80  13.06 +/- 0.51   1.018% *  2.9685% (0.16  1.00   0.02   0.02) =   0.661%  kept
          HN    VAL   18 - HN    LEU   80  17.15 +/- 1.05   0.209% * 12.3085% (0.65  1.00   0.02   0.02) =   0.562%  kept
    Distance limit 3.71 A violated in 20 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.242, support = 0.02, residual support = 0.236:
          HN    GLN   30 - HN    ALA   34   6.30 +/- 0.22  77.567% *  2.6057% (0.11  1.00   0.02   0.44) =  51.709%  kept
          HN    GLU-  29 - HN    ALA   34   8.51 +/- 0.23  12.708% * 10.1298% (0.41  1.00   0.02   0.02) =  32.934%  kept
          HN    ASP-  86 - HN    LEU   80   9.55 +/- 0.33   6.699% *  4.0782% (0.17  1.00   0.02   0.02) =   6.990%  kept
          HN    GLU-  29 - HN    LEU   80  12.53 +/- 0.40   1.284% * 12.2517% (0.50  1.00   0.02   0.02) =   4.025%  kept
          HN    VAL   18 - HN    ALA   34  15.34 +/- 0.94   0.408% * 15.4172% (0.63  1.00   0.02   0.02) =   1.610%  kept
          HN    VAL   18 - HN    LEU   80  17.15 +/- 1.05   0.209% * 18.6466% (0.76  1.00   0.02   0.02) =   0.996%  kept
        T HN    ASP-  86 - HN    ALA   34  19.11 +/- 1.16   0.106% * 33.7193% (0.14 10.00   0.02   0.02) =   0.914%  kept
          HN    GLN   30 - HN    LEU   80  13.06 +/- 0.51   1.018% *  3.1515% (0.13  1.00   0.02   0.02) =   0.821%  kept
    Distance limit 3.69 A violated in 20 structures by 2.35 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.71 +/- 0.01  99.991% * 98.3004% (0.54 10.00   4.04  18.79) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  20.16 +/- 0.52   0.001% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  17.66 +/- 2.23   0.002% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.76 +/- 0.71   0.004% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.44 +/- 0.90   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.13 +/- 2.57   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.02 +/- 1.35   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.52 +/- 0.58   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.938, support = 5.18, residual support = 32.6:
          HN    LYS+  81 - HN    LEU   80   3.82 +/- 0.26  97.526% * 98.6572% (0.94   5.18  32.56) =  99.998%  kept
          HE3   TRP   27 - HN    LEU   80   8.17 +/- 1.56   1.977% *  0.0594% (0.15   0.02   8.61) =   0.001%
          QD    PHE   60 - HN    LEU   80  13.21 +/- 0.74   0.065% *  0.3450% (0.85   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   34  10.54 +/- 1.74   0.393% *  0.0491% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.97 +/- 1.21   0.023% *  0.2852% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  20.45 +/- 0.77   0.004% *  0.3152% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.01 +/- 0.69   0.010% *  0.1308% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  22.44 +/- 0.72   0.003% *  0.1581% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.635, support = 1.49, residual support = 2.32:
          HG2   LYS+ 111 - HN    GLU- 114   4.75 +/- 0.66  69.455% * 60.5375% (0.73   1.25   2.57) =  84.147%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.57 +/- 0.22  27.631% * 28.5649% (0.15   2.77   0.98) =  15.795%  kept
          HB3   PRO   93 - HN    GLU- 114  10.14 +/- 2.03   2.286% *  1.0227% (0.76   0.02   0.02) =   0.047%
          HB2   LEU   63 - HN    GLU- 114  13.13 +/- 0.91   0.178% *  1.3118% (0.98   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HN    GLU- 114  14.73 +/- 0.59   0.086% *  1.3383% (1.00   0.02   0.02) =   0.002%
          HG3   LYS+ 106 - HN    GLU- 114  12.53 +/- 1.10   0.251% *  0.2979% (0.22   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    GLU- 114  16.42 +/- 0.56   0.042% *  1.2915% (0.97   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLU- 114  17.96 +/- 1.31   0.030% *  1.0716% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    GLU- 114  18.54 +/- 1.37   0.024% *  1.2002% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 114  24.00 +/- 1.93   0.005% *  1.2354% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLU- 114  21.65 +/- 0.98   0.008% *  0.6000% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    GLU- 114  26.96 +/- 0.96   0.002% *  1.0716% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLU- 114  29.19 +/- 1.08   0.001% *  0.4565% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1095
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     47
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    660
      with multiple volume contributions     :    304
      eliminated by violation filter         :     40
 
    Peaks:
      selected                               :   1095
      without assignment                     :     57
      with assignment                        :   1038
      with unique assignment                 :    757
      with multiple assignment               :    281
      with reference assignment              :    129
      with identical reference assignment    :    110
      with compatible reference assignment   :     19
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    909
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.7
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.63, support = 3.37, residual support = 46.0:
      O T HB2   GLU-  14 - HA    GLU-  14   2.79 +/- 0.12  79.711% * 27.7351% (0.39  10.0 10.00   2.96  45.84) =  60.842%  kept
    * O T HG2   MET   11 - HA    MET   11   3.65 +/- 0.45  20.087% * 70.8328% (1.00  10.0 10.00   4.00  46.33) =  39.156%  kept
        T HB2   GLU-  14 - HA    MET   11   9.31 +/- 1.38   0.101% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   MET   11 - HA    GLU-  14  10.73 +/- 1.46   0.046% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.80 +/- 2.22   0.051% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  16.91 +/- 3.06   0.003% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.56 +/- 1.37   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.93 +/- 1.59   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.42 +/- 1.76   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.78 +/- 2.18   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.13 +/- 1.06   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.07 +/- 0.90   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  37.65 +/- 1.86   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.60 +/- 2.13   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.46 +/- 1.28   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.26 +/- 2.31   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.857, support = 3.76, residual support = 46.2:
    * O T HG3   MET   11 - HA    MET   11   2.86 +/- 0.65  55.736% * 72.0852% (1.00  10.0 10.00   4.00  46.33) =  77.262%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.93 +/- 0.12  44.185% * 26.7596% (0.37  10.0 10.00   2.96  45.84) =  22.737%  kept
        T HB3   GLU-  14 - HA    MET   11  10.04 +/- 1.25   0.042% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.84 +/- 1.49   0.029% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  15.92 +/- 1.45   0.002% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  14.62 +/- 1.73   0.003% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.39 +/- 2.44   0.001% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  19.75 +/- 2.95   0.001% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  20.62 +/- 1.57   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.17 +/- 1.19   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.36 +/- 1.85   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.54 +/- 1.91   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.28 +/- 1.21   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.52 +/- 1.78   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.681, support = 3.6, residual support = 45.9:
    * O T HA    MET   11 - HG2   MET   11   3.65 +/- 0.45  19.289% * 80.1546% (1.00  10.0 10.00   4.00  46.33) =  62.029%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.79 +/- 0.12  75.539% * 12.3400% (0.15  10.0 10.00   2.96  45.84) =  37.397%  kept
          HA    ALA   12 - HG2   MET   11   5.61 +/- 1.01   2.357% *  6.0448% (0.53   1.0  1.00   2.87  11.96) =   0.572%  kept
        T HA    MET   11 - HB2   GLU-  14   9.31 +/- 1.38   0.097% *  0.3002% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.73 +/- 1.46   0.043% *  0.3295% (0.41   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   12 - HB2   GLU-  14   6.31 +/- 0.80   0.757% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   5.81 +/- 0.87   1.672% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.46 +/- 0.69   0.229% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.90 +/- 1.85   0.005% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.10 +/- 3.11   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.15 +/- 0.66   0.003% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.72 +/- 1.43   0.001% *  0.0299% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.83 +/- 1.23   0.003% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.57 +/- 2.00   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.28 +/- 2.20   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.56 +/- 2.84   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.51 +/- 2.18   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.69 +/- 1.80   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.93 +/- 1.59   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.60 +/- 1.82   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.52 +/- 1.06   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  21.67 +/- 1.71   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  32.22 +/- 3.50   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.02 +/- 2.76   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.61 +/- 2.05   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.78 +/- 2.18   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.09 +/- 2.23   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.62 +/- 3.10   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.62 +/- 1.09   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.73 +/- 3.38   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  30.16 +/- 1.82   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.35 +/- 0.97   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  31.01 +/- 1.78   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  39.39 +/- 2.17   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  29.87 +/- 0.84   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.68 +/- 1.81   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.877, support = 3.28, residual support = 45.9:
    * O T QB    MET   11 - HG2   MET   11   2.24 +/- 0.11  53.482% * 66.1248% (1.00  10.0 10.00   3.31  46.33) =  84.297%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.32 +/- 0.15  44.476% * 14.0193% (0.21  10.0 10.00   3.16  45.84) =  14.863%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.51 +/- 1.09   1.959% * 17.9811% (0.27   1.0 10.00   2.49   1.17) =   0.840%  kept
        T QB    MET   11 - HB2   GLU-  14   8.36 +/- 1.39   0.047% *  0.2476% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.92 +/- 1.89   0.016% *  0.3744% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.56 +/- 1.76   0.008% *  0.4802% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  19.05 +/- 4.14   0.001% *  0.2482% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  16.28 +/- 3.02   0.001% *  0.0929% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.08 +/- 1.28   0.003% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  11.30 +/- 1.33   0.004% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.86 +/- 1.08   0.000% *  0.0099% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.35 +/- 1.51   0.000% *  0.0150% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.65 +/- 2.30   0.000% *  0.0322% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.78 +/- 0.84   0.001% *  0.0039% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.16 +/- 1.43   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.96 +/- 1.27   0.000% *  0.0464% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.05 +/- 1.64   0.000% *  0.0362% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.16 +/- 1.28   0.000% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.02 +/- 2.18   0.000% *  0.0401% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.01 +/- 1.01   0.000% *  0.0031% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  22.03 +/- 2.14   0.000% *  0.0062% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.84 +/- 1.73   0.000% *  0.0639% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.42 +/- 1.86   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  29.95 +/- 3.33   0.000% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.05 +/- 2.12   0.000% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.14 +/- 1.36   0.000% *  0.0038% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.48 +/- 1.67   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  34.49 +/- 2.99   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.60 +/- 2.12   0.000% *  0.0204% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.84 +/- 2.31   0.000% *  0.0102% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  31.21 +/- 2.21   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  36.61 +/- 1.38   0.000% *  0.0240% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  39.76 +/- 2.63   0.000% *  0.0248% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 46.2:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.995% * 72.5786% (1.00  10.0 10.00   4.00  46.33) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.996% * 25.7103% (0.35  10.0 10.00   3.00  45.84) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.84 +/- 1.64   0.002% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.12 +/- 1.76   0.003% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.46 +/- 1.35   0.003% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  22.10 +/- 1.68   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.82 +/- 1.89   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  12.43 +/- 1.49   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.22 +/- 1.63   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  29.94 +/- 2.03   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  21.00 +/- 3.40   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  22.46 +/- 2.87   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.33 +/- 1.68   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  27.57 +/- 1.71   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.41 +/- 0.79   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  30.47 +/- 2.42   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  25.79 +/- 1.11   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  36.38 +/- 2.27   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  30.85 +/- 1.85   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  26.41 +/- 1.00   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  39.37 +/- 2.36   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.915, support = 3.9, residual support = 46.3:
    * O T HA    MET   11 - HG3   MET   11   2.86 +/- 0.65  54.734% * 86.0293% (1.00  10.0 10.00   4.00  46.33) =  90.066%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.93 +/- 0.12  41.347% * 12.5566% (0.15  10.0 10.00   2.96  45.84) =   9.931%  kept
          HA    ALA   12 - HG3   MET   11   5.50 +/- 1.03   3.610% *  0.0453% (0.53   1.0  1.00   0.02  11.96) =   0.003%
        T HA    MET   11 - HB3   GLU-  14  10.04 +/- 1.25   0.040% *  0.3054% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG3   MET   11  10.84 +/- 1.49   0.028% *  0.3537% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.22 +/- 0.89   0.233% *  0.0161% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.15 +/- 2.05   0.005% *  0.0149% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  19.96 +/- 3.27   0.001% *  0.0419% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  18.99 +/- 1.23   0.001% *  0.0305% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  22.72 +/- 1.93   0.000% *  0.0282% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.23 +/- 2.24   0.000% *  0.0858% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.41 +/- 2.91   0.000% *  0.0794% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  26.11 +/- 1.63   0.000% *  0.0299% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  24.10 +/- 1.84   0.000% *  0.0173% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  21.11 +/- 1.28   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  31.99 +/- 3.55   0.000% *  0.0487% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  34.87 +/- 2.82   0.000% *  0.0843% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  29.90 +/- 1.79   0.000% *  0.0299% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  28.35 +/- 1.97   0.000% *  0.0149% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  38.39 +/- 3.25   0.000% *  0.0843% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  36.45 +/- 3.56   0.000% *  0.0419% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  30.26 +/- 1.88   0.000% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.52 +/- 1.44   0.000% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  39.44 +/- 2.17   0.000% *  0.0323% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.834, support = 3.27, residual support = 45.6:
    * O T QB    MET   11 - HG3   MET   11   2.50 +/- 0.09  43.636% * 67.3911% (1.00  10.0 10.00   3.31  46.33) =  79.153%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.42 +/- 0.16  53.138% * 13.5457% (0.20  10.0 10.00   3.16  45.84) =  19.374%  kept
        T QG    GLU-  15 - HB3   GLU-  14   4.94 +/- 1.00   3.147% * 17.3737% (0.26   1.0 10.00   2.30   1.17) =   1.472%  kept
        T QG    GLU-  14 - HG3   MET   11   9.97 +/- 1.84   0.029% *  0.3815% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14   9.03 +/- 1.20   0.033% *  0.2393% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  11.65 +/- 1.69   0.007% *  0.4894% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  18.56 +/- 4.08   0.001% *  0.2529% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  15.80 +/- 3.39   0.002% *  0.0898% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  11.38 +/- 1.07   0.006% *  0.0116% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  16.67 +/- 1.26   0.001% *  0.0145% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  20.65 +/- 2.37   0.000% *  0.0328% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  26.00 +/- 2.18   0.000% *  0.0409% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.61 +/- 1.77   0.000% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  26.46 +/- 2.01   0.000% *  0.0098% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  29.74 +/- 3.34   0.000% *  0.0168% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  22.40 +/- 1.23   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.82 +/- 1.57   0.000% *  0.0074% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  34.34 +/- 3.13   0.000% *  0.0277% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  33.66 +/- 2.12   0.000% *  0.0208% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  30.97 +/- 2.35   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  30.56 +/- 1.71   0.000% *  0.0090% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  39.74 +/- 2.56   0.000% *  0.0253% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 46.2:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.996% * 71.8618% (1.00  10.0 10.00   4.00  46.33) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.997% * 25.4564% (0.35  10.0 10.00   3.00  45.84) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.12 +/- 1.76   0.003% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  10.84 +/- 1.64   0.002% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  11.59 +/- 1.74   0.001% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  17.69 +/- 2.93   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  32.08 +/- 1.99   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  38.39 +/- 2.12   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.42 +/- 1.30   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  27.57 +/- 1.71   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  36.38 +/- 2.27   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  25.22 +/- 1.52   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.21 +/- 1.27   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  34.42 +/- 2.38   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.17 +/- 1.47   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  37.20 +/- 2.55   0.000% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.817, support = 3.35, residual support = 46.2:
    * O T HA    MET   11 - QB    MET   11   2.41 +/- 0.15  32.368% * 85.1002% (1.00  10.0 10.00   3.37  46.33) =  78.856%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.13 +/- 0.15  65.040% * 11.3536% (0.13  10.0 10.00   3.30  45.84) =  21.140%  kept
          HA    ALA   12 - QB    MET   11   4.02 +/- 0.42   1.793% *  0.0448% (0.53   1.0  1.00   0.02  11.96) =   0.002%
        T HA    GLU-  14 - QG    GLU-  15   4.88 +/- 0.60   0.596% *  0.0843% (0.10   1.0 10.00   0.02   1.17) =   0.001%
        T HA    GLU-  14 - QB    MET   11   8.95 +/- 1.01   0.016% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.39 +/- 1.45   0.016% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.67 +/- 0.92   0.107% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  10.71 +/- 1.40   0.006% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.89 +/- 1.45   0.028% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.53 +/- 2.15   0.020% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.51 +/- 1.25   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.20 +/- 1.14   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.59 +/- 1.40   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.98 +/- 1.18   0.005% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.25 +/- 2.40   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.16 +/- 1.72   0.001% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  28.22 +/- 2.92   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  17.64 +/- 3.54   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.60 +/- 1.84   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  17.64 +/- 3.19   0.000% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.35 +/- 1.78   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  17.60 +/- 2.91   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.56 +/- 2.02   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.09 +/- 1.66   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.10 +/- 1.45   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  19.20 +/- 0.68   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  27.08 +/- 0.65   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.24 +/- 1.35   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  18.53 +/- 1.37   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  30.66 +/- 2.09   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.85 +/- 1.06   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  22.57 +/- 1.61   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.93 +/- 1.63   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.77 +/- 0.76   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.08 +/- 1.79   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  33.83 +/- 2.37   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  24.51 +/- 2.01   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.79 +/- 1.88   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.11 +/- 2.59   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  26.36 +/- 1.27   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.72 +/- 1.41   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  24.90 +/- 1.59   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.78 +/- 0.95   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  34.64 +/- 1.58   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  28.60 +/- 1.30   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  29.15 +/- 1.08   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  29.60 +/- 1.36   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  37.87 +/- 1.01   0.000% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.853, support = 3.27, residual support = 45.9:
    * O T HG2   MET   11 - QB    MET   11   2.24 +/- 0.11  52.736% * 62.8007% (1.00  10.0 10.00   3.31  46.33) =  78.346%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.32 +/- 0.15  43.565% * 20.3350% (0.32  10.0 10.00   3.16  45.84) =  20.957%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.51 +/- 1.09   1.948% * 15.1066% (0.24   1.0 10.00   2.49   1.17) =   0.696%  kept
        T HB2   GLU-  14 - QB    MET   11   8.36 +/- 1.39   0.046% *  0.6266% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   68 - QG    GLU-  15   6.78 +/- 2.12   1.672% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14   9.92 +/- 1.89   0.016% *  0.2038% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  11.56 +/- 1.76   0.007% *  0.1514% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  16.28 +/- 3.02   0.001% *  0.0781% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  19.05 +/- 4.14   0.001% *  0.0783% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  11.23 +/- 1.87   0.005% *  0.0057% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  14.95 +/- 2.41   0.001% *  0.0175% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  19.31 +/- 1.10   0.000% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  20.66 +/- 1.43   0.000% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.05 +/- 1.64   0.000% *  0.0357% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  23.96 +/- 1.27   0.000% *  0.0265% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  27.91 +/- 1.47   0.000% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  31.84 +/- 1.73   0.000% *  0.1100% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  21.11 +/- 1.38   0.000% *  0.0062% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  25.81 +/- 1.18   0.000% *  0.0200% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  22.49 +/- 1.33   0.000% *  0.0084% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  32.57 +/- 1.45   0.000% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.19 +/- 1.24   0.000% *  0.0148% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.55 +/- 1.95   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  33.67 +/- 1.36   0.000% *  0.0616% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  34.97 +/- 1.17   0.000% *  0.0767% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  30.09 +/- 1.66   0.000% *  0.0258% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  23.14 +/- 1.28   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  25.55 +/- 1.47   0.000% *  0.0028% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  32.57 +/- 1.78   0.000% *  0.0085% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  36.61 +/- 1.38   0.000% *  0.0137% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  30.40 +/- 1.30   0.000% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  29.56 +/- 0.98   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.805, support = 3.26, residual support = 45.7:
    * O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.09  43.621% * 64.2177% (1.00  10.0 10.00   3.31  46.33) =  71.927%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.42 +/- 0.16  53.123% * 19.7139% (0.31  10.0 10.00   3.16  45.84) =  26.890%  kept
        T HB3   GLU-  14 - QG    GLU-  15   4.94 +/- 1.00   3.145% * 14.6452% (0.23   1.0 10.00   2.30   1.17) =   1.183%  kept
        T HB3   GLU-  14 - QB    MET   11   9.03 +/- 1.20   0.032% *  0.6075% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - QG    GLU-  14   9.97 +/- 1.84   0.029% *  0.2084% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.65 +/- 1.69   0.007% *  0.1548% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  15.80 +/- 3.39   0.002% *  0.0757% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  18.56 +/- 4.08   0.001% *  0.0800% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.34 +/- 1.74   0.018% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.75 +/- 2.48   0.010% *  0.0027% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.41 +/- 1.79   0.004% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.05 +/- 1.47   0.001% *  0.0064% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.36 +/- 2.09   0.000% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.43 +/- 1.59   0.000% *  0.0106% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  18.10 +/- 2.61   0.000% *  0.0112% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  12.14 +/- 0.52   0.003% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.81 +/- 1.32   0.000% *  0.0143% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.93 +/- 1.11   0.001% *  0.0025% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  18.92 +/- 1.61   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.97 +/- 1.17   0.000% *  0.0069% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.72 +/- 1.28   0.000% *  0.0430% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.92 +/- 1.37   0.000% *  0.0579% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.51 +/- 1.51   0.000% *  0.0441% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.19 +/- 1.59   0.000% *  0.0288% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  21.60 +/- 1.00   0.000% *  0.0055% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.52 +/- 1.46   0.000% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  31.88 +/- 1.81   0.000% *  0.0036% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  33.69 +/- 1.16   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T QB    ALA   12 - HA    ALA   12   2.12 +/- 0.01  99.997% * 99.1918% (0.82  10.0 10.00   2.00  12.45) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  15.19 +/- 2.41   0.002% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  18.30 +/- 2.07   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  19.29 +/- 2.13   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  19.94 +/- 1.30   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  19.51 +/- 1.79   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  21.65 +/- 1.53   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  29.44 +/- 2.07   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  26.62 +/- 2.55   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.78 +/- 1.26   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  30.63 +/- 2.73   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  35.28 +/- 1.69   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  30.80 +/- 1.71   0.000% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T HA    ALA   12 - QB    ALA   12   2.12 +/- 0.01  96.770% * 99.5569% (0.82  10.0 10.00   2.00  12.45) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.82 +/- 0.19   2.987% *  0.0286% (0.24   1.0  1.00   0.02  11.96) =   0.001%
          HA    GLU-  14 - QB    ALA   12   6.04 +/- 0.68   0.243% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  24.17 +/- 1.65   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  20.33 +/- 1.27   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  27.32 +/- 2.37   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.18 +/- 2.00   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  25.85 +/- 1.85   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  28.85 +/- 2.17   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.935, support = 2.01, residual support = 10.1:
    * O T QB    SER   13 - HA    SER   13   2.43 +/- 0.15  76.380% * 64.9056% (1.00  10.0 10.00   1.93   7.65) =  86.832%  kept
      O T HB3   SER   37 - HA    SER   37   2.99 +/- 0.09  22.915% * 32.8086% (0.51  10.0 10.00   2.55  26.27) =  13.168%  kept
          HB    THR   39 - HA    SER   37   5.65 +/- 0.60   0.611% *  0.0346% (0.53   1.0  1.00   0.02   2.45) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.39 +/- 2.19   0.006% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.22 +/- 0.96   0.032% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  14.56 +/- 2.03   0.003% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   8.86 +/- 0.54   0.035% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.32 +/- 1.67   0.004% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  11.09 +/- 0.43   0.009% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.24 +/- 1.07   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.06 +/- 1.34   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.97 +/- 1.90   0.002% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.84 +/- 0.59   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.32 +/- 0.49   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.95 +/- 0.83   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.63 +/- 0.82   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.47 +/- 1.14   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.46 +/- 1.02   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.42 +/- 2.19   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.53 +/- 0.76   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  31.02 +/- 1.29   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  28.32 +/- 0.82   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  33.39 +/- 1.17   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  35.62 +/- 0.74   0.000% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.936, support = 2.02, residual support = 10.2:
    * O T HA    SER   13 - QB    SER   13   2.43 +/- 0.15  76.318% * 63.8850% (1.00  10.0 10.00   1.93   7.65) =  86.306%  kept
      O T HA    SER   37 - HB3   SER   37   2.99 +/- 0.09  22.883% * 33.8056% (0.53  10.0 10.00   2.55  26.27) =  13.694%  kept
          HA    GLU-  15 - QB    SER   13   6.80 +/- 0.80   0.302% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   5.98 +/- 0.23   0.364% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.39 +/- 2.19   0.006% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.12 +/- 0.37   0.058% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.56 +/- 2.03   0.003% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.04 +/- 1.37   0.026% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.01 +/- 1.84   0.016% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   9.80 +/- 0.81   0.020% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.28 +/- 1.67   0.002% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.06 +/- 1.34   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.82 +/- 1.22   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.32 +/- 0.49   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.36 +/- 1.72   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  18.30 +/- 1.84   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  19.67 +/- 1.68   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  19.94 +/- 2.09   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.34 +/- 1.06   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  18.78 +/- 1.34   0.000% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  23.69 +/- 1.46   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.70 +/- 0.70   0.000% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.945, support = 3.05, residual support = 45.9:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.79 +/- 0.12  79.707% * 70.8449% (1.00  10.0 10.00   2.96  45.84) =  91.018%  kept
      O T HG2   MET   11 - HA    MET   11   3.65 +/- 0.45  20.086% * 27.7398% (0.39  10.0 10.00   4.00  46.33) =   8.981%  kept
        T HG2   MET   11 - HA    GLU-  14  10.73 +/- 1.46   0.046% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    MET   11   9.31 +/- 1.38   0.101% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.80 +/- 2.22   0.051% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  16.00 +/- 1.88   0.003% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  16.91 +/- 3.06   0.003% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.56 +/- 1.37   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  26.93 +/- 1.59   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.96 +/- 2.94   0.002% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.07 +/- 0.90   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  25.13 +/- 1.06   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.42 +/- 1.76   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  35.78 +/- 2.18   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  37.65 +/- 1.86   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  33.60 +/- 2.13   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 45.5:
    * O T QG    GLU-  14 - HA    GLU-  14   2.13 +/- 0.15  66.342% * 45.0668% (1.00  10.0 10.00   3.30  45.84) =  89.334%  kept
      O T QB    MET   11 - HA    MET   11   2.41 +/- 0.15  33.006% * 10.0127% (0.22  10.0 10.00   3.37  46.33) =   9.874%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.88 +/- 0.60   0.609% * 43.4925% (0.97   1.0 10.00   2.84   1.17) =   0.792%  kept
        T QB    MET   11 - HA    GLU-  14   8.95 +/- 1.01   0.016% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   9.39 +/- 1.45   0.016% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  10.71 +/- 1.40   0.006% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  11.49 +/- 1.10   0.003% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  16.83 +/- 0.83   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  16.94 +/- 2.20   0.000% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  25.14 +/- 1.82   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  20.20 +/- 3.70   0.000% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  19.77 +/- 1.76   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  22.01 +/- 1.06   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  27.00 +/- 1.54   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  30.11 +/- 2.04   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  33.55 +/- 3.12   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.76 +/- 1.45   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  39.18 +/- 2.05   0.000% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.966, support = 2.99, residual support = 45.8:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.79 +/- 0.12  77.031% * 81.8060% (1.00  10.0 10.00   2.96  45.84) =  96.067%  kept
      O T HA    MET   11 - HG2   MET   11   3.65 +/- 0.45  19.659% * 12.5942% (0.15  10.0 10.00   4.00  46.33) =   3.774%  kept
          HA    ALA   12 - HG2   MET   11   5.61 +/- 1.01   2.385% *  4.3042% (0.37   1.0  1.00   2.87  11.96) =   0.156%
          HA    ALA   12 - HB2   GLU-  14   6.31 +/- 0.80   0.773% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14   9.31 +/- 1.38   0.099% *  0.3363% (0.41   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.73 +/- 1.46   0.044% *  0.3063% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  19.72 +/- 1.43   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  15.15 +/- 0.66   0.003% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  26.93 +/- 1.59   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.83 +/- 1.23   0.003% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.54 +/- 1.40   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.09 +/- 2.23   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.57 +/- 2.00   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.69 +/- 1.80   0.000% *  0.0252% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.35 +/- 0.97   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.61 +/- 2.05   0.000% *  0.0252% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.52 +/- 1.06   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.46 +/- 0.56   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.28 +/- 2.20   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  35.78 +/- 2.18   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  32.28 +/- 2.44   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  28.60 +/- 1.90   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.73 +/- 3.38   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.66 +/- 1.08   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.68 +/- 1.81   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.56 +/- 2.84   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.62 +/- 1.09   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.02 +/- 2.76   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.62 +/- 3.10   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  36.53 +/- 2.90   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.844, support = 3.17, residual support = 44.5:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.32 +/- 0.15  44.476% * 45.4322% (1.00  10.0 10.00   3.16  45.84) =  77.074%  kept
      O T QB    MET   11 - HG2   MET   11   2.24 +/- 0.11  53.482% *  9.6322% (0.21  10.0 10.00   3.31  46.33) =  19.649%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.51 +/- 1.09   1.959% * 43.8452% (0.97   1.0 10.00   2.49   1.17) =   3.276%  kept
        T QB    MET   11 - HB2   GLU-  14   8.36 +/- 1.39   0.047% *  0.2572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.92 +/- 1.89   0.016% *  0.1701% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.56 +/- 1.76   0.008% *  0.1642% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.08 +/- 1.28   0.003% *  0.0450% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.86 +/- 1.08   0.000% *  0.0459% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  17.35 +/- 1.51   0.000% *  0.0453% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  15.71 +/- 2.37   0.001% *  0.0140% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  10.99 +/- 1.57   0.006% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.78 +/- 0.84   0.001% *  0.0067% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.16 +/- 1.28   0.000% *  0.0064% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.05 +/- 1.64   0.000% *  0.0668% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.96 +/- 1.27   0.000% *  0.0645% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.65 +/- 2.30   0.000% *  0.0169% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  23.14 +/- 1.36   0.000% *  0.0312% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  19.01 +/- 1.01   0.000% *  0.0066% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.05 +/- 2.12   0.000% *  0.0438% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  21.50 +/- 3.94   0.000% *  0.0053% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.02 +/- 2.18   0.000% *  0.0170% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.84 +/- 1.73   0.000% *  0.0378% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.84 +/- 2.31   0.000% *  0.0117% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  31.43 +/- 1.94   0.000% *  0.0101% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  34.49 +/- 2.99   0.000% *  0.0164% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  29.60 +/- 1.39   0.000% *  0.0021% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  39.97 +/- 2.54   0.000% *  0.0038% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 45.9:
    * O T HA    GLU-  14 - QG    GLU-  14   2.13 +/- 0.15  65.058% * 85.4905% (1.00  10.0 10.00   3.30  45.84) =  93.766%  kept
      O T HA    MET   11 - QB    MET   11   2.41 +/- 0.15  32.377% * 11.4057% (0.13  10.0 10.00   3.37  46.33) =   6.226%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.88 +/- 0.60   0.596% *  0.7522% (0.88   1.0 10.00   0.02   1.17) =   0.008%
          HA    ALA   12 - QB    MET   11   4.02 +/- 0.42   1.794% *  0.0272% (0.32   1.0  1.00   0.02  11.96) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.67 +/- 0.92   0.107% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.39 +/- 1.45   0.016% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   8.95 +/- 1.01   0.016% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.89 +/- 1.45   0.028% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  10.71 +/- 1.40   0.006% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.51 +/- 1.25   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.20 +/- 1.14   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.88 +/- 1.69   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.60 +/- 1.84   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.59 +/- 1.40   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.15 +/- 1.44   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  24.51 +/- 2.01   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.79 +/- 1.88   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.35 +/- 1.78   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.10 +/- 1.45   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.24 +/- 1.35   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.08 +/- 1.79   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.93 +/- 1.63   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  23.50 +/- 1.88   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  25.35 +/- 1.61   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.08 +/- 1.56   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.11 +/- 2.59   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.56 +/- 2.02   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  30.66 +/- 2.09   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  33.83 +/- 2.37   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  31.92 +/- 2.14   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 44 (2.27, 2.27, 36.31 ppm):
    3 diagonal assignments:
    *     QG    GLU-  14 - QG    GLU-  14  (1.00)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 45 (1.92, 2.27, 36.31 ppm):
    18 chemical-shift based assignments, quality = 0.861, support = 3.15, residual support = 44.1:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.42 +/- 0.16  53.133% * 45.1588% (1.00  10.0 10.00   3.16  45.84) =  76.675%  kept
      O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.09  43.631% * 13.8631% (0.31  10.0 10.00   3.31  46.33) =  19.329%  kept
        T HB3   GLU-  14 - QG    GLU-  15   4.94 +/- 1.00   3.147% * 39.7329% (0.88   1.0 10.00   2.30   1.17) =   3.995%  kept
        T HG3   MET   11 - QG    GLU-  14   9.97 +/- 1.84   0.029% *  0.4272% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.03 +/- 1.20   0.033% *  0.1466% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.65 +/- 1.69   0.007% *  0.3759% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.34 +/- 1.74   0.018% *  0.0193% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.05 +/- 1.47   0.001% *  0.0220% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.43 +/- 1.59   0.000% *  0.0345% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.81 +/- 1.32   0.000% *  0.0392% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.97 +/- 1.17   0.000% *  0.0110% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  18.92 +/- 1.61   0.000% *  0.0126% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.72 +/- 1.28   0.000% *  0.0613% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.92 +/- 1.37   0.000% *  0.0697% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.36 +/- 2.09   0.000% *  0.0071% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.51 +/- 1.51   0.000% *  0.0127% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.19 +/- 1.59   0.000% *  0.0041% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  34.52 +/- 1.46   0.000% *  0.0023% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.998, support = 2.22, residual support = 10.8:
    * O T QG    GLU-  15 - HA    GLU-  15   2.75 +/- 0.61  93.045% * 49.8424% (1.00  10.0 10.00   2.19  11.44) =  93.792%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.96 +/- 0.68   6.381% * 48.1014% (0.97   1.0 10.00   2.69   1.17) =   6.207%  kept
          HB3   PHE   72 - HA    GLU-  15   7.80 +/- 0.92   0.372% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  11.31 +/- 1.89   0.031% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  11.53 +/- 1.10   0.029% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  10.44 +/- 0.44   0.055% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.67 +/- 1.51   0.005% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  13.77 +/- 2.68   0.010% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  13.46 +/- 0.60   0.012% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.44 +/- 0.44   0.011% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  20.00 +/- 2.05   0.001% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  17.04 +/- 2.01   0.004% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  14.98 +/- 1.27   0.006% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  19.74 +/- 2.86   0.001% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  15.38 +/- 1.86   0.006% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  18.35 +/- 0.97   0.002% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  15.49 +/- 0.53   0.005% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  16.09 +/- 0.48   0.004% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.84 +/- 0.37   0.015% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  21.21 +/- 0.71   0.001% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.46 +/- 0.69   0.002% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  24.26 +/- 1.31   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  23.67 +/- 0.77   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.54 +/- 1.18   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  25.25 +/- 0.67   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  27.70 +/- 0.94   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  30.32 +/- 0.91   0.000% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 11.4:
    * O T QB    GLU-  15 - HA    GLU-  15   2.35 +/- 0.15  97.481% * 95.2027% (1.00  10.0 10.00   3.00  11.44) =  99.994%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.12 +/- 0.34   0.379% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.004%
        T HB3   PRO   68 - HA    GLU-  15   8.30 +/- 1.81   0.219% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    GLU-  15   6.93 +/- 1.00   0.244% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.24 +/- 0.96   0.695% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  10.95 +/- 1.53   0.013% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   5.94 +/- 1.06   0.811% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.02 +/- 1.23   0.005% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15   9.76 +/- 1.31   0.047% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  15.85 +/- 1.05   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  10.99 +/- 1.67   0.016% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.31 +/- 2.24   0.011% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  10.96 +/- 1.70   0.017% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.18 +/- 0.75   0.006% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.58 +/- 0.81   0.014% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.84 +/- 0.75   0.004% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.56 +/- 2.19   0.005% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.03 +/- 0.53   0.018% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.95 +/- 0.43   0.006% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.38 +/- 1.22   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.64 +/- 1.07   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  14.60 +/- 0.60   0.002% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  15.91 +/- 1.30   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.41 +/- 0.61   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  17.70 +/- 1.77   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.43 +/- 1.43   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  22.69 +/- 1.03   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.25 +/- 0.57   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  18.88 +/- 1.05   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.59 +/- 1.03   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  20.11 +/- 1.23   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  18.36 +/- 1.85   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  26.97 +/- 1.36   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.75 +/- 1.20   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.24 +/- 1.39   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  23.70 +/- 1.20   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.993, support = 2.22, residual support = 10.9:
    * O T HA    GLU-  15 - QG    GLU-  15   2.75 +/- 0.61  84.956% * 52.1759% (1.00  10.0 10.00   2.19  11.44) =  94.501%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.96 +/- 0.68   5.610% * 45.9069% (0.88   1.0 10.00   2.69   1.17) =   5.490%  kept
          HA    SER   13 - QG    GLU-  15   5.72 +/- 1.01   4.374% *  0.0522% (1.00   1.0  1.00   0.02   0.02) =   0.005%
          HA    SER   13 - QG    GLU-  14   5.34 +/- 0.37   3.103% *  0.0459% (0.88   1.0  1.00   0.02   6.62) =   0.003%
          HA    SER   13 - QB    MET   11   6.12 +/- 0.65   1.107% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  15   7.03 +/- 0.50   0.452% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  11.31 +/- 1.89   0.026% *  0.4936% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   8.10 +/- 0.87   0.226% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  11.53 +/- 1.10   0.024% *  0.1258% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.67 +/- 1.51   0.004% *  0.4343% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  10.83 +/- 2.67   0.054% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  13.77 +/- 2.68   0.009% *  0.1162% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  17.04 +/- 2.01   0.003% *  0.1022% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  14.34 +/- 2.19   0.008% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.41 +/- 1.09   0.003% *  0.0521% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  20.00 +/- 2.05   0.001% *  0.1190% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  15.33 +/- 1.86   0.006% *  0.0178% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  17.32 +/- 1.48   0.002% *  0.0458% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.25 +/- 1.89   0.010% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  15.43 +/- 3.06   0.007% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  19.74 +/- 2.86   0.001% *  0.0280% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  19.80 +/- 1.25   0.001% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  15.40 +/- 0.98   0.005% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.45 +/- 1.01   0.001% *  0.0338% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  19.84 +/- 1.28   0.001% *  0.0157% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.58 +/- 1.55   0.002% *  0.0062% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  20.08 +/- 1.08   0.001% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  21.52 +/- 1.22   0.001% *  0.0114% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  24.78 +/- 1.39   0.000% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  24.23 +/- 2.02   0.000% *  0.0043% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  27.70 +/- 1.50   0.000% *  0.0081% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  21.90 +/- 1.85   0.001% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  28.98 +/- 1.28   0.000% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.3:
    * O T HB2   GLN   17 - HA    GLN   17   2.51 +/- 0.09  99.176% * 97.7872% (1.00  10.0 10.00   4.00  84.34) =  99.994%  kept
        T QB    GLU-  15 - HA    GLN   17   6.74 +/- 0.23   0.280% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   68 - HA    GLN   17   8.28 +/- 2.42   0.321% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.003%
          HB    ILE   19 - HA    GLN   17   7.74 +/- 0.67   0.143% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17   9.49 +/- 1.81   0.064% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  13.35 +/- 1.40   0.006% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.20 +/- 1.12   0.005% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  14.95 +/- 1.25   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.29 +/- 1.16   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.65 +/- 0.45   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.72 +/- 1.61   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  20.05 +/- 1.62   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T QG    GLN   17 - HA    GLN   17   2.89 +/- 0.52  99.448% * 98.5118% (0.76  10.0 10.00   4.31  84.34) =  99.994%  kept
        T HB    VAL   70 - HA    GLN   17   8.58 +/- 1.76   0.537% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.006%
          HB2   MET   96 - HA    GLN   17  16.15 +/- 0.94   0.005% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  18.77 +/- 1.84   0.003% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.62 +/- 1.16   0.003% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.17 +/- 1.28   0.003% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  19.85 +/- 0.54   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.199, support = 3.52, residual support = 49.1:
    * O T HA    GLN   17 - HB2   GLN   17   2.51 +/- 0.09  39.972% * 57.9333% (0.24  10.0 10.00   4.00  84.34) =  51.650%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.35 +/- 0.15  58.871% * 36.8149% (0.15  10.0 10.00   3.00  11.44) =  48.340%  kept
        T HA    GLN   17 - HB3   PRO   68   8.28 +/- 2.42   0.126% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  15 - HB3   PRO   68   8.30 +/- 1.81   0.115% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - QB    GLU-  15   6.74 +/- 0.23   0.107% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   GLN   17   6.12 +/- 0.34   0.205% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    SER   13 - QB    GLU-  15   5.54 +/- 0.80   0.541% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  10.95 +/- 1.53   0.008% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.02 +/- 1.23   0.003% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  11.50 +/- 2.25   0.012% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  10.66 +/- 2.11   0.014% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  10.54 +/- 1.10   0.010% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  15.85 +/- 1.05   0.001% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  12.22 +/- 1.05   0.003% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  12.04 +/- 1.37   0.004% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.20 +/- 0.68   0.001% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  15.65 +/- 1.12   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  13.66 +/- 0.56   0.002% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.95 +/- 1.52   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  16.07 +/- 1.19   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.16 +/- 0.88   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  18.58 +/- 1.56   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.10 +/- 1.28   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.25 +/- 0.56   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.185, support = 4.31, residual support = 84.3:
    * O T QG    GLN   17 - HB2   GLN   17   2.47 +/- 0.09  97.737% * 84.9728% (0.18  10.0 10.00   4.31  84.34) =  99.967%  kept
        T QG    GLN   17 - QB    GLU-  15   5.15 +/- 0.61   1.551% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.018%
        T QG    GLN   17 - HB3   PRO   68   8.07 +/- 2.23   0.302% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.008%
        T HB    VAL   70 - HB3   PRO   68   7.40 +/- 0.79   0.175% *  2.3301% (0.51   1.0 10.00   0.02   1.08) =   0.005%
        T HB    VAL   70 - QB    GLU-  15   7.54 +/- 1.24   0.198% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   GLN   17  10.66 +/- 1.58   0.021% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  13.61 +/- 2.05   0.006% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  16.23 +/- 1.98   0.002% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  17.77 +/- 1.70   0.001% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  18.95 +/- 0.58   0.001% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  20.29 +/- 1.59   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  25.40 +/- 1.42   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.40 +/- 1.01   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  19.17 +/- 0.94   0.000% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.37 +/- 0.86   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.92 +/- 1.49   0.001% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.39 +/- 1.51   0.001% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.46 +/- 1.03   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  18.48 +/- 0.97   0.001% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  24.76 +/- 1.52   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.15 +/- 1.21   0.000% *  0.0379% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T HA    GLN   17 - QG    GLN   17   2.89 +/- 0.52  66.119% * 99.2429% (0.76  10.0 10.00   4.31  84.34) =  99.971%  kept
          HA    GLU-  15 - QG    GLN   17   4.00 +/- 0.99  32.380% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.028%
        T HA    GLN   17 - HB    VAL   70   8.58 +/- 1.76   0.232% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - QG    GLN   17   7.80 +/- 1.09   0.274% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   6.65 +/- 0.77   0.584% *  0.0076% (0.06   1.0  1.00   0.02  32.71) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.42 +/- 0.44   0.229% *  0.0123% (0.09   1.0  1.00   0.02   1.23) =   0.000%
          HA    GLU-  15 - HB    VAL   70   8.73 +/- 1.27   0.120% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  12.49 +/- 0.71   0.013% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.01 +/- 1.37   0.014% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.47 +/- 2.04   0.005% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  13.74 +/- 1.29   0.008% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.74 +/- 0.88   0.003% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.73 +/- 0.74   0.010% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  14.14 +/- 1.08   0.006% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  15.03 +/- 1.15   0.004% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  18.03 +/- 0.65   0.001% *  0.0201% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T HB2   GLN   17 - QG    GLN   17   2.47 +/- 0.09  96.202% * 95.9708% (0.76  10.0 10.00   4.31  84.34) =  99.980%  kept
        T QB    GLU-  15 - QG    GLN   17   5.15 +/- 0.61   1.521% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.016%
        T HB3   PRO   68 - QG    GLN   17   8.07 +/- 2.23   0.298% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.002%
          HB    ILE   19 - QG    GLN   17   6.65 +/- 1.60   0.802% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   7.54 +/- 1.24   0.196% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.40 +/- 0.79   0.171% *  0.1574% (0.13   1.0 10.00   0.02   1.08) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.97 +/- 1.51   0.642% *  0.0096% (0.08   1.0  1.00   0.02   1.08) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  10.66 +/- 1.58   0.021% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17   9.47 +/- 1.69   0.056% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  11.43 +/- 1.80   0.019% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.02 +/- 1.32   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  12.49 +/- 1.12   0.007% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.04 +/- 0.90   0.027% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  11.65 +/- 1.70   0.014% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  18.63 +/- 1.68   0.001% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  21.80 +/- 0.86   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.47 +/- 1.11   0.004% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.98 +/- 1.09   0.009% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.37 +/- 1.00   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  15.83 +/- 1.22   0.002% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  12.43 +/- 1.09   0.007% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.69 +/- 1.49   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.71 +/- 1.05   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.88 +/- 1.45   0.000% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.3:
    * O T HB    VAL   18 - HA    VAL   18   2.70 +/- 0.33  99.601% * 99.6862% (1.00  10.0 10.00   3.44  77.28) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   7.70 +/- 0.91   0.372% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  11.93 +/- 1.05   0.018% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  15.11 +/- 1.40   0.005% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.88 +/- 0.87   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  18.72 +/- 0.98   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.3:
    * O T QG1   VAL   18 - HA    VAL   18   2.40 +/- 0.37  99.437% * 98.7319% (1.00  10.0 10.00   4.00  77.28) =  99.998%  kept
        T QG1   VAL   70 - HA    VAL   18   8.09 +/- 0.91   0.145% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HA    VAL   18   7.70 +/- 1.05   0.297% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   18   8.36 +/- 1.36   0.111% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  12.73 +/- 1.20   0.007% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.32 +/- 1.09   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.00 +/- 0.96   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.994, support = 4.01, residual support = 76.1:
    * O T QG2   VAL   18 - HA    VAL   18   2.76 +/- 0.34  87.363% * 85.2405% (1.00  10.0 10.00   4.00  77.28) =  97.820%  kept
          QD1   ILE   19 - HA    VAL   18   4.95 +/- 1.13  12.339% * 13.4442% (0.73   1.0  1.00   4.34  22.42) =   2.179%  kept
        T QG1   VAL   41 - HA    VAL   18   9.66 +/- 1.01   0.086% *  0.6514% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    VAL   18   8.73 +/- 0.57   0.121% *  0.0787% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.35 +/- 0.70   0.076% *  0.0836% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  14.75 +/- 1.40   0.005% *  0.4826% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  13.24 +/- 0.86   0.010% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.3:
    * O T HA    VAL   18 - HB    VAL   18   2.70 +/- 0.33  99.971% * 99.3791% (1.00  10.0 10.00   3.44  77.28) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.54 +/- 1.08   0.017% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.97 +/- 0.97   0.003% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  16.42 +/- 1.44   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.68 +/- 0.82   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  17.73 +/- 1.02   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  20.91 +/- 1.31   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.65 +/- 0.83   0.002% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  19.00 +/- 0.94   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  22.09 +/- 1.29   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.3:
    * O T QG1   VAL   18 - HB    VAL   18   2.12 +/- 0.02  99.913% * 99.5994% (1.00  10.0 10.00   3.44  77.28) = 100.000%  kept
          HB3   LEU   63 - HB    VAL   18   8.74 +/- 1.66   0.044% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.60 +/- 1.34   0.019% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   9.70 +/- 1.28   0.020% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  13.05 +/- 1.34   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.55 +/- 1.58   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  16.63 +/- 1.49   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 77.3:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.01  99.709% * 98.4101% (1.00  10.0 10.00   3.23  77.28) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   6.57 +/- 0.93   0.228% *  0.0715% (0.73   1.0  1.00   0.02  22.42) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  11.43 +/- 1.27   0.005% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.18 +/- 0.99   0.041% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18   9.74 +/- 1.18   0.014% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.01 +/- 1.56   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  14.94 +/- 1.30   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.3:
    * O T HA    VAL   18 - QG1   VAL   18   2.40 +/- 0.37  99.945% * 97.2871% (1.00  10.0 10.00   4.00  77.28) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18   9.66 +/- 0.75   0.028% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  12.48 +/- 0.62   0.008% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.21 +/- 1.11   0.002% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.95 +/- 0.70   0.004% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  14.35 +/- 0.55   0.003% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  13.65 +/- 1.12   0.004% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  14.03 +/- 0.61   0.004% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  15.16 +/- 0.57   0.002% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  17.24 +/- 0.92   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.3:
    * O T HB    VAL   18 - QG1   VAL   18   2.12 +/- 0.02  99.892% * 99.6862% (1.00  10.0 10.00   3.44  77.28) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.00 +/- 1.48   0.093% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  11.23 +/- 1.34   0.006% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.48 +/- 1.28   0.005% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  13.59 +/- 0.98   0.002% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.10 +/- 0.90   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.3:
    * O T QG2   VAL   18 - QG1   VAL   18   2.04 +/- 0.07  99.203% * 98.4101% (1.00  10.0 10.00   4.00  77.28) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.34 +/- 0.70   0.513% *  0.0715% (0.73   1.0  1.00   0.02  22.42) =   0.000%
          QG2   THR   46 - QG1   VAL   18   6.00 +/- 0.59   0.191% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   9.01 +/- 0.89   0.019% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   7.28 +/- 0.90   0.069% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  12.93 +/- 1.26   0.002% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  11.51 +/- 0.88   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.3:
    * O T HA    VAL   18 - QG2   VAL   18   2.76 +/- 0.34  97.295% * 97.9277% (1.00  10.0 10.00   4.00  77.28) =  99.998%  kept
          HA    VAL   70 - QG1   VAL   41   6.04 +/- 0.61   1.377% *  0.0514% (0.52   1.0  1.00   0.02   2.72) =   0.001%
        T HA    VAL   18 - QG1   VAL   41   9.66 +/- 1.01   0.092% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          HA    LYS+  33 - QG1   VAL   41   7.26 +/- 0.56   0.399% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.88 +/- 0.41   0.521% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.01 +/- 0.49   0.104% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.74 +/- 0.65   0.062% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  14.75 +/- 1.40   0.006% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  13.29 +/- 1.17   0.012% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.34 +/- 1.29   0.010% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104  10.02 +/- 1.35   0.061% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  15.18 +/- 0.89   0.005% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  15.15 +/- 0.57   0.004% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  15.63 +/- 1.02   0.004% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  17.71 +/- 1.88   0.002% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  14.49 +/- 0.86   0.006% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  16.22 +/- 0.74   0.003% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.74 +/- 0.83   0.003% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.78 +/- 0.78   0.002% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.57 +/- 0.73   0.006% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  13.95 +/- 0.73   0.007% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.52 +/- 1.38   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.66 +/- 0.98   0.009% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  19.82 +/- 0.64   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.52 +/- 0.94   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  17.09 +/- 1.32   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  19.63 +/- 1.20   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.91 +/- 0.53   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  22.83 +/- 0.99   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.63 +/- 0.93   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 77.3:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.01  99.335% * 98.5012% (1.00  10.0 10.00   3.23  77.28) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.40 +/- 0.20   0.379% *  0.0257% (0.26   1.0  1.00   0.02  18.90) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.50 +/- 0.78   0.063% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  11.43 +/- 1.27   0.005% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   9.38 +/- 0.79   0.016% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   7.00 +/- 1.28   0.177% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  10.65 +/- 1.68   0.009% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  13.59 +/- 0.98   0.002% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.74 +/- 0.94   0.004% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  13.14 +/- 1.03   0.002% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.01 +/- 1.56   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  11.61 +/- 2.11   0.006% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.91 +/- 0.57   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.60 +/- 0.88   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.57 +/- 0.79   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  22.09 +/- 0.56   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  19.97 +/- 1.03   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  22.85 +/- 0.78   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.984, support = 4.02, residual support = 79.6:
    * O T QG1   VAL   18 - QG2   VAL   18   2.04 +/- 0.07  76.491% * 90.9635% (1.00  10.0 10.00   4.00  77.28) =  98.325%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.71 +/- 0.34  17.368% *  6.8036% (0.07  10.0 10.00   5.48 219.41) =   1.670%  kept
          QD1   LEU   71 - QG1   VAL   41   4.43 +/- 1.34   5.787% *  0.0581% (0.64   1.0  1.00   0.02   2.75) =   0.005%
          QG1   VAL   70 - QG1   VAL   41   6.17 +/- 0.67   0.140% *  0.0681% (0.75   1.0  1.00   0.02   2.72) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.01 +/- 0.89   0.014% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.11 +/- 1.51   0.073% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.52 +/- 0.75   0.008% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.02 +/- 0.80   0.027% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.32 +/- 0.77   0.020% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.83 +/- 1.20   0.039% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.60 +/- 1.43   0.005% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.35 +/- 0.87   0.005% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.93 +/- 1.26   0.002% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.48 +/- 1.00   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.16 +/- 1.31   0.002% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.19 +/- 0.81   0.006% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.50 +/- 1.15   0.005% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  10.97 +/- 1.44   0.005% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.77 +/- 1.01   0.001% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.99 +/- 0.58   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  11.98 +/- 0.39   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.4:
    * O T HB    ILE   19 - HA    ILE   19   2.96 +/- 0.08  97.937% * 98.7896% (1.00  10.0 10.00   5.75 175.42) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.83 +/- 0.46   1.844% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.50 +/- 0.48   0.186% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.16 +/- 0.26   0.008% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  14.79 +/- 1.01   0.007% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  13.64 +/- 1.84   0.014% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  18.25 +/- 1.68   0.002% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.30 +/- 1.13   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.62 +/- 0.91   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.93 +/- 1.23   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 175.4:
    * O T HG12  ILE   19 - HA    ILE   19   3.02 +/- 0.79  94.235% * 98.1529% (1.00  10.0 10.00   6.31 175.42) =  99.993%  kept
        T HG    LEU   73 - HA    ILE   19   7.85 +/- 0.86   0.970% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.004%
          HB3   LYS+  74 - HA    ILE   19   5.79 +/- 0.57   4.150% *  0.0556% (0.57   1.0  1.00   0.02   8.15) =   0.002%
          QB    ALA   61 - HA    ILE   19   8.76 +/- 1.54   0.498% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  13.30 +/- 1.05   0.025% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  11.94 +/- 1.50   0.061% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.08 +/- 0.71   0.018% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.15 +/- 0.93   0.019% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  13.89 +/- 0.92   0.019% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  18.68 +/- 1.30   0.003% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.46 +/- 1.59   0.001% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.30 +/- 1.09   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.16 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.4:
    * O T HG13  ILE   19 - HA    ILE   19   2.83 +/- 0.45  98.799% * 98.2804% (1.00  10.0 10.00   5.75 175.42) =  99.996%  kept
        T HG    LEU   71 - HA    ILE   19   8.35 +/- 1.24   0.298% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HG2   LYS+  74 - HA    ILE   19   7.29 +/- 1.00   0.783% *  0.0907% (0.92   1.0  1.00   0.02   8.15) =   0.001%
          QG2   THR   39 - HA    ILE   19  10.44 +/- 0.76   0.055% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.01 +/- 1.09   0.010% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.59 +/- 0.56   0.048% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  18.80 +/- 1.33   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  19.86 +/- 0.62   0.001% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.71 +/- 1.12   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  18.98 +/- 0.78   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.74 +/- 1.20   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.01 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.992, support = 4.95, residual support = 171.1:
    *   T QD1   ILE   19 - HA    ILE   19   3.21 +/- 0.21  85.743% * 84.6147% (1.00 10.00   4.95 175.42) =  97.169%  kept
          QG2   VAL   18 - HA    ILE   19   4.84 +/- 0.78  13.952% * 15.1489% (0.73  1.00   4.93  22.42) =   2.831%  kept
          QG2   THR   46 - HA    ILE   19  10.09 +/- 0.54   0.095% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19   9.93 +/- 0.70   0.108% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  10.59 +/- 1.12   0.086% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.06 +/- 1.37   0.005% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.06 +/- 0.70   0.013% *  0.0167% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.30 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.4:
    * O T HA    ILE   19 - HB    ILE   19   2.96 +/- 0.08  99.876% * 98.6066% (1.00  10.0 10.00   5.75 175.42) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.22 +/- 0.64   0.013% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   9.45 +/- 0.73   0.108% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  19.83 +/- 1.00   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  18.52 +/- 0.74   0.002% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 0.996, support = 5.28, residual support = 174.4:
    * O T HG12  ILE   19 - HB    ILE   19   2.55 +/- 0.30  96.890% * 79.7619% (1.00  10.0 10.00   5.30 175.42) =  99.424%  kept
        T HG    LEU   73 - HB    ILE   19   5.36 +/- 1.06   2.420% * 18.4878% (0.34   1.0 10.00   1.36   4.00) =   0.576%  kept
          HB3   LYS+  74 - HB    ILE   19   6.20 +/- 0.77   0.574% *  0.0452% (0.57   1.0  1.00   0.02   8.15) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  10.86 +/- 1.41   0.035% *  0.5792% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  12.62 +/- 1.06   0.009% *  0.7818% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19   9.74 +/- 1.32   0.045% *  0.0692% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  11.58 +/- 1.02   0.015% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.39 +/- 0.92   0.006% *  0.0610% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.02 +/- 0.96   0.005% *  0.0420% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  18.61 +/- 0.93   0.001% *  0.0791% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.88 +/- 1.63   0.000% *  0.0484% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.67 +/- 1.14   0.001% *  0.0199% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 175.4:
    * O T HG13  ILE   19 - HB    ILE   19   2.67 +/- 0.32  96.504% * 97.6364% (1.00  10.0 10.00   5.00 175.42) =  99.970%  kept
        T HG    LEU   71 - HB    ILE   19   6.08 +/- 1.36   2.845% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.026%
        T HG2   LYS+  74 - HB    ILE   19   7.56 +/- 1.13   0.351% *  0.9013% (0.92   1.0 10.00   0.02   8.15) =   0.003%
          QG2   THR   39 - HB    ILE   19   8.52 +/- 0.82   0.138% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   8.25 +/- 0.52   0.150% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  16.33 +/- 1.25   0.003% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.10 +/- 0.94   0.006% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.09 +/- 0.96   0.002% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  19.51 +/- 0.80   0.001% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  17.81 +/- 0.99   0.001% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  25.28 +/- 1.01   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 175.4:
    * O T QD1   ILE   19 - HB    ILE   19   2.73 +/- 0.33  97.383% * 99.6493% (1.00  10.0 10.00   4.22 175.42) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.74 +/- 0.78   2.058% *  0.0724% (0.73   1.0  1.00   0.02  22.42) =   0.002%
          QG1   VAL   43 - HB    ILE   19   8.07 +/- 0.85   0.232% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   8.26 +/- 1.12   0.264% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  10.53 +/- 0.71   0.038% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  15.08 +/- 1.39   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.02 +/- 0.72   0.019% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.15 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 175.4:
    * O T HA    ILE   19 - HG12  ILE   19   3.02 +/- 0.79  96.350% * 98.8520% (1.00  10.0 10.00   6.31 175.42) =  99.996%  kept
        T HA    ILE   19 - HG    LEU   73   7.85 +/- 0.86   1.007% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.003%
          HA    GLU-  25 - HG    LEU   80   8.05 +/- 1.03   0.668% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  13.30 +/- 1.05   0.026% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   8.11 +/- 0.70   0.679% *  0.0152% (0.15   1.0  1.00   0.02   0.28) =   0.000%
          HA    THR   26 - HG    LEU   73   8.91 +/- 1.37   0.828% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.28 +/- 1.28   0.134% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  10.77 +/- 0.79   0.102% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.65 +/- 0.81   0.168% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.79 +/- 0.63   0.015% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.58 +/- 1.21   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  17.01 +/- 1.40   0.007% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.83 +/- 0.51   0.004% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  16.50 +/- 0.91   0.008% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  21.74 +/- 1.12   0.002% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 175.4:
    * O T HB    ILE   19 - HG12  ILE   19   2.55 +/- 0.30  95.882% * 98.3572% (1.00  10.0 10.00   5.30 175.42) =  99.991%  kept
        T HB    ILE   19 - HG    LEU   73   5.36 +/- 1.06   2.408% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.008%
          HB2   GLN   17 - HG12  ILE   19   6.48 +/- 0.90   1.016% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG12  ILE   19   6.83 +/- 0.81   0.351% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   7.92 +/- 1.47   0.244% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  12.62 +/- 1.06   0.009% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  10.64 +/- 1.41   0.035% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.35 +/- 1.07   0.005% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.69 +/- 0.77   0.015% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  12.27 +/- 1.67   0.010% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.33 +/- 1.38   0.009% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.87 +/- 0.56   0.003% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.63 +/- 1.23   0.003% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.33 +/- 1.58   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.40 +/- 1.77   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  18.10 +/- 1.51   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.49 +/- 1.78   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  15.32 +/- 1.20   0.003% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  18.76 +/- 1.00   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.78 +/- 2.12   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.03 +/- 1.51   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.78 +/- 1.13   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  20.11 +/- 1.00   0.001% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  25.09 +/- 1.47   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.33 +/- 1.56   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.73 +/- 1.75   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  22.26 +/- 1.65   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.61 +/- 1.84   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.06 +/- 1.37   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  24.66 +/- 1.26   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 175.4:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.549% * 96.9096% (1.00  10.0 10.00   5.30 175.42) =  99.998%  kept
        T HG    LEU   71 - HG12  ILE   19   6.21 +/- 1.56   0.189% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   71 - HG    LEU   73   6.66 +/- 1.33   0.079% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   73   7.57 +/- 1.11   0.026% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
          QG2   THR   39 - HG12  ILE   19   8.49 +/- 1.34   0.014% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   8.98 +/- 1.40   0.009% *  0.0895% (0.92   1.0  1.00   0.02   8.15) =   0.000%
          QB    ALA   34 - HG    LEU   73   5.88 +/- 0.53   0.081% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   7.97 +/- 0.80   0.014% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.10 +/- 0.68   0.012% *  0.0292% (0.30   1.0  1.00   0.02  41.43) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.48 +/- 1.82   0.009% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.95 +/- 1.38   0.010% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  14.73 +/- 1.02   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  16.48 +/- 1.45   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.42 +/- 1.60   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.27 +/- 1.37   0.001% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.83 +/- 2.42   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.63 +/- 1.03   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  14.91 +/- 1.16   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  17.39 +/- 1.70   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.43 +/- 1.52   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  14.50 +/- 1.75   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.51 +/- 1.44   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  14.75 +/- 0.99   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  13.26 +/- 0.75   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  14.10 +/- 0.92   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.82 +/- 1.13   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  17.32 +/- 0.73   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  19.61 +/- 1.24   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.12 +/- 1.49   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  23.52 +/- 1.19   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  26.35 +/- 1.51   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  23.89 +/- 1.75   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  23.21 +/- 1.50   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 175.4:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.01  90.541% * 98.4260% (1.00  10.0 10.00   4.28 175.42) =  99.997%  kept
          QG1   VAL   43 - HG    LEU   73   4.02 +/- 1.04   7.532% *  0.0156% (0.16   1.0  1.00   0.02   7.61) =   0.001%
        T QD1   ILE   19 - HG    LEU   73   6.10 +/- 1.06   0.312% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   5.86 +/- 0.60   0.273% *  0.0715% (0.73   1.0  1.00   0.02  22.42) =   0.000%
          QG1   VAL   41 - HG    LEU   73   5.22 +/- 1.19   1.065% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   8.47 +/- 1.31   0.041% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  12.20 +/- 1.19   0.003% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   8.10 +/- 1.11   0.048% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.09 +/- 1.64   0.035% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   9.47 +/- 1.37   0.022% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   8.69 +/- 1.66   0.037% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.21 +/- 1.36   0.002% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   7.99 +/- 1.26   0.059% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.66 +/- 0.71   0.004% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  12.40 +/- 1.65   0.003% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.34 +/- 0.51   0.008% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  11.86 +/- 1.51   0.005% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.39 +/- 2.01   0.005% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  15.79 +/- 2.30   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  12.71 +/- 0.92   0.002% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  17.79 +/- 1.50   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 175.4:
    * O T HA    ILE   19 - HG13  ILE   19   2.83 +/- 0.45  99.607% * 98.6722% (1.00  10.0 10.00   5.75 175.42) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   8.35 +/- 1.24   0.301% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  11.08 +/- 0.80   0.046% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  19.51 +/- 1.17   0.001% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  15.15 +/- 0.60   0.006% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.75 +/- 1.45   0.031% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  22.18 +/- 1.16   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  15.43 +/- 1.54   0.006% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  22.07 +/- 0.92   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  22.72 +/- 1.60   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 175.4:
    * O T HB    ILE   19 - HG13  ILE   19   2.67 +/- 0.32  92.225% * 98.7569% (1.00  10.0 10.00   5.00 175.42) =  99.994%  kept
        T HB    ILE   19 - HG    LEU   71   6.08 +/- 1.36   2.738% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN   17 - HG13  ILE   19   5.92 +/- 0.86   1.426% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   6.54 +/- 0.73   0.552% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   5.75 +/- 1.66   2.921% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.04 +/- 0.81   0.009% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  11.87 +/- 1.46   0.023% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  10.32 +/- 1.40   0.050% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.58 +/- 1.31   0.020% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  15.19 +/- 0.57   0.003% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.31 +/- 1.44   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.02 +/- 0.94   0.025% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.39 +/- 1.35   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.20 +/- 1.88   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  16.36 +/- 1.50   0.003% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  20.95 +/- 1.29   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  25.73 +/- 1.56   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  21.20 +/- 1.13   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  21.74 +/- 1.09   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  22.20 +/- 1.08   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 175.4:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.664% * 97.7565% (1.00  10.0 10.00   5.30 175.42) = 100.000%  kept
        T HG12  ILE   19 - HG    LEU   71   6.21 +/- 1.56   0.189% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   7.57 +/- 1.11   0.026% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
        T HG    LEU   73 - HG    LEU   71   6.66 +/- 1.33   0.079% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   7.80 +/- 0.72   0.015% *  0.0553% (0.57   1.0  1.00   0.02   8.15) =   0.000%
          QB    ALA   61 - HG13  ILE   19   9.51 +/- 1.69   0.006% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  14.73 +/- 1.02   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  10.48 +/- 1.71   0.004% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.20 +/- 0.85   0.006% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.44 +/- 1.06   0.001% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  16.48 +/- 1.45   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  12.96 +/- 1.34   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   9.71 +/- 1.13   0.005% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  15.54 +/- 0.80   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.57 +/- 1.42   0.002% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.58 +/- 1.07   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  19.52 +/- 1.18   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.79 +/- 1.08   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  21.54 +/- 1.83   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  17.21 +/- 1.40   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.89 +/- 1.64   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  16.26 +/- 1.56   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.37 +/- 2.23   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.95 +/- 1.30   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 175.4:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.01  92.995% * 99.4572% (1.00  10.0 10.00   4.21 175.42) =  99.991%  kept
        T QD1   ILE   19 - HG    LEU   71   4.56 +/- 1.31   5.378% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.008%
          QG2   VAL   18 - HG13  ILE   19   5.63 +/- 0.66   0.381% *  0.0722% (0.73   1.0  1.00   0.02  22.42) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.60 +/- 1.31   1.136% *  0.0044% (0.04   1.0  1.00   0.02   2.75) =   0.000%
          QG1   VAL   41 - HG13  ILE   19   9.35 +/- 1.51   0.026% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG13  ILE   19   9.75 +/- 1.05   0.014% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.66 +/- 0.81   0.004% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.08 +/- 1.01   0.022% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   8.60 +/- 0.86   0.030% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  15.94 +/- 1.70   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.60 +/- 1.27   0.003% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.44 +/- 0.96   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.86 +/- 0.96   0.007% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.48 +/- 1.14   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 175.4:
    *   T HA    ILE   19 - QD1   ILE   19   3.21 +/- 0.21  99.400% * 99.7561% (1.00 10.00   4.95 175.42) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   8.28 +/- 1.16   0.544% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  11.82 +/- 1.00   0.048% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.33 +/- 0.95   0.005% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  18.23 +/- 1.11   0.003% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 175.4:
    * O T HB    ILE   19 - QD1   ILE   19   2.73 +/- 0.33  95.593% * 99.4654% (1.00  10.0 10.00   4.22 175.42) =  99.997%  kept
          QB    GLU-  15 - QD1   ILE   19   5.40 +/- 1.14   3.038% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD1   ILE   19   6.06 +/- 1.08   1.266% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   ILE   19  11.36 +/- 1.40   0.023% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE   19  11.89 +/- 1.05   0.024% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  10.42 +/- 1.83   0.051% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.58 +/- 1.19   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.30 +/- 1.65   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.47 +/- 1.23   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.03 +/- 1.34   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 175.4:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  99.510% * 97.8860% (1.00  10.0 10.00   4.28 175.42) =  99.999%  kept
        T HG    LEU   73 - QD1   ILE   19   6.10 +/- 1.06   0.327% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.001%
          HB3   LYS+  74 - QD1   ILE   19   7.13 +/- 0.58   0.090% *  0.0554% (0.57   1.0  1.00   0.02   8.15) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  12.20 +/- 1.19   0.004% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  10.62 +/- 0.97   0.008% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19   9.06 +/- 1.55   0.029% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19   9.35 +/- 1.41   0.024% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.09 +/- 1.30   0.004% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  12.92 +/- 1.00   0.002% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  17.09 +/- 1.12   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.53 +/- 1.79   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.12 +/- 1.15   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 0.999, support = 4.21, residual support = 175.3:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  94.281% * 98.6077% (1.00  10.0 10.00   4.21 175.42) =  99.948%  kept
        T HG    LEU   71 - QD1   ILE   19   4.56 +/- 1.31   5.406% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.051%
          QG2   THR   39 - QD1   ILE   19   6.77 +/- 1.13   0.168% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   8.35 +/- 0.93   0.036% *  0.0910% (0.92   1.0  1.00   0.02   8.15) =   0.000%
          QB    ALA   34 - QD1   ILE   19   7.02 +/- 0.84   0.103% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  13.95 +/- 1.64   0.002% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  13.95 +/- 1.26   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.25 +/- 1.11   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.97 +/- 0.84   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  16.86 +/- 0.93   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.88 +/- 1.25   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  99.997% * 99.6998% (1.00  10.0 10.00   2.31  15.23) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  13.93 +/- 0.49   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.49 +/- 0.87   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.30 +/- 1.35   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.14 +/- 2.00   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  24.01 +/- 1.42   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  23.86 +/- 1.61   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  99.989% * 99.9427% (1.00  10.0 10.00   2.31  15.23) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   9.76 +/- 0.42   0.011% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  19.14 +/- 0.96   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (1.14, 1.14, 19.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   20 - QB    ALA   20  (1.00)  kept
 
    Peak 114 (4.59, 4.59, 57.78 ppm):
    1 diagonal assignment:
    *     HA    CYS   21 - HA    CYS   21  (1.00)  kept
 
    Peak 115 (3.08, 4.59, 57.78 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.52, residual support = 27.9:
    * O T HB2   CYS   21 - HA    CYS   21   2.82 +/- 0.28  99.993% * 99.9059% (1.00  10.0 10.00   2.52  27.95) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  14.29 +/- 0.47   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  25.52 +/- 1.03   0.000% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.48, residual support = 27.9:
    * O T HB3   CYS   21 - HA    CYS   21   2.58 +/- 0.18  99.998% * 99.9348% (0.69  10.0 10.00   2.48  27.95) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.94 +/- 1.58   0.002% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (3.08, 3.08, 28.30 ppm):
    1 diagonal assignment:
    *     HB2   CYS   21 - HB2   CYS   21  (1.00)  kept
 
    Peak 119 (2.60, 3.08, 28.30 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.3, residual support = 27.9:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.9348% (0.69  10.0 10.00   2.30  27.95) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  13.62 +/- 2.05   0.001% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.3, residual support = 27.9:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.30  27.95) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  13.02 +/- 0.66   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  24.65 +/- 1.06   0.000% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.4:
    * O T HB2   HIS   22 - HA    HIS   22   2.73 +/- 0.31  99.999% * 99.8331% (0.76  10.0 10.00   2.33  34.38) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.58 +/- 0.93   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  22.16 +/- 1.88   0.001% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.4:
    * O T HB3   HIS   22 - HA    HIS   22   2.75 +/- 0.28 100.000% * 99.9165% (0.95  10.0 10.00   3.46  34.38) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  22.17 +/- 2.13   0.000% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.4:
    * O T HA    HIS   22 - HB2   HIS   22   2.73 +/- 0.31  99.991% * 99.7956% (0.76  10.0 10.00   2.33  34.38) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.88 +/- 0.81   0.009% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  21.34 +/- 1.11   0.001% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.4:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.38) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  24.51 +/- 2.42   0.000% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.4:
    * O T HA    HIS   22 - HB3   HIS   22   2.75 +/- 0.28  99.993% * 99.7956% (0.95  10.0 10.00   3.46  34.38) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  14.03 +/- 0.58   0.007% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  21.49 +/- 0.88   0.001% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.4:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.38) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.48 +/- 0.84   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  22.56 +/- 2.09   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 19.0:
    * O T QG2   THR   23 - HA    THR   23   2.91 +/- 0.31  99.766% * 99.3383% (0.80  10.0 10.00   3.25  19.04) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   8.64 +/- 0.78   0.203% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.00 +/- 0.59   0.015% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  15.95 +/- 1.45   0.005% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  15.81 +/- 0.66   0.005% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  15.46 +/- 1.52   0.006% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.43 +/- 0.98   0.000% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.468, support = 3.25, residual support = 19.0:
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  83.132% * 25.6645% (0.28  10.0  1.00   3.25  19.04) =  63.683%  kept
    * O T HA    THR   23 - QG2   THR   23   2.91 +/- 0.31  16.461% * 73.9129% (0.80  10.0 10.00   3.25  19.04) =  36.316%  kept
          HA    LEU   80 - QG2   THR   23   5.50 +/- 0.59   0.382% *  0.0379% (0.41   1.0  1.00   0.02   5.86) =   0.000%
          HA    ASP-  78 - QG2   THR   23   9.61 +/- 1.11   0.014% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  15.95 +/- 1.45   0.001% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91  10.63 +/- 1.05   0.007% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  15.81 +/- 0.66   0.001% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  13.29 +/- 0.57   0.002% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.08 +/- 1.38   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  18.73 +/- 1.37   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.32 +/- 0.87   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  17.21 +/- 1.29   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.3:
    * O T QG1   VAL   24 - HA    VAL   24   2.77 +/- 0.53  99.924% * 99.7332% (1.00  10.0 10.00   3.42  65.27) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   9.84 +/- 0.70   0.073% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  17.32 +/- 0.65   0.002% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  21.19 +/- 1.15   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  27.79 +/- 1.28   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.19 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 65.3:
    * O T HA    VAL   24 - QG1   VAL   24   2.77 +/- 0.53  99.994% * 99.8757% (1.00  10.0 10.00   3.42  65.27) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  16.44 +/- 1.34   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  16.75 +/- 1.84   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  20.91 +/- 1.72   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.9:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.03  99.968% * 99.2829% (1.00  10.0 10.00   5.22 127.88) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.45 +/- 1.03   0.014% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.83 +/- 0.58   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.15 +/- 1.47   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  14.67 +/- 1.01   0.008% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.77 +/- 0.81   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.73 +/- 0.26   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.89 +/- 1.13   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.61 +/- 1.02   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  25.18 +/- 0.72   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  27.62 +/- 1.12   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  25.96 +/- 1.22   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.9:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.76 +/- 0.05  99.867% * 98.0202% (1.00  10.0 10.00   5.00 127.88) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  13.22 +/- 0.64   0.009% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  12.62 +/- 0.82   0.012% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   8.72 +/- 0.44   0.106% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  19.83 +/- 1.00   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.24 +/- 1.72   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  20.04 +/- 0.53   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.76 +/- 1.39   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  17.78 +/- 1.29   0.002% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.87 +/- 1.53   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  25.63 +/- 1.25   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.20 +/- 0.81   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  24.95 +/- 1.04   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  25.17 +/- 1.26   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.20 +/- 0.95   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.50 +/- 1.07   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  31.14 +/- 1.44   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  31.04 +/- 0.82   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.9:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.07 +/- 0.14  99.986% * 99.4877% (1.00  10.0 10.00   4.31 127.88) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  12.68 +/- 1.12   0.002% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82   9.81 +/- 0.27   0.010% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  16.31 +/- 0.45   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.49 +/- 0.86   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.51 +/- 0.65   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  32.30 +/- 1.64   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  30.96 +/- 1.30   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  30.31 +/- 1.64   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  29.11 +/- 1.51   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.9:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.36 +/- 0.04  99.697% * 99.2510% (1.00  10.0 10.00   3.74 127.88) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  13.25 +/- 0.90   0.029% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  10.79 +/- 0.94   0.113% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.15 +/- 0.60   0.141% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.71 +/- 0.94   0.007% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  17.73 +/- 1.66   0.006% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.72 +/- 1.29   0.003% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  26.44 +/- 1.11   0.000% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.41 +/- 1.55   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  25.04 +/- 1.60   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.57 +/- 1.79   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  27.90 +/- 1.58   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  26.35 +/- 1.12   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.49 +/- 0.79   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.24 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.9:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.03  99.974% * 99.2383% (1.00  10.0 10.00   5.22 127.88) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  13.45 +/- 1.03   0.014% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.36 +/- 0.37   0.012% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  24.04 +/- 1.11   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.9:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.991% * 97.2368% (1.00  10.0 10.00   5.22 127.88) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   8.64 +/- 0.57   0.008% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  17.77 +/- 1.70   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  18.95 +/- 0.58   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.60 +/- 0.62   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  25.40 +/- 1.42   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.62 +/- 1.48   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  26.15 +/- 0.62   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.98 +/- 0.93   0.000% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 127.9:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.96 +/- 0.12  99.997% * 99.8559% (1.00  10.0 10.00   4.53 127.88) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  17.86 +/- 0.61   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  21.25 +/- 1.00   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  32.66 +/- 1.74   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  31.32 +/- 1.42   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 127.9:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.74 +/- 0.05  99.939% * 99.6757% (1.00  10.0 10.00   3.95 127.88) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25   9.97 +/- 1.31   0.059% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.61 +/- 1.27   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.53 +/- 1.29   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  25.51 +/- 1.90   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.20 +/- 1.65   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  27.47 +/- 1.76   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.9:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.76 +/- 0.05  99.982% * 98.4268% (1.00  10.0 10.00   5.00 127.88) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  12.62 +/- 0.82   0.012% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.16 +/- 0.26   0.006% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  24.06 +/- 1.21   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.9:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.22 127.88) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.02 +/- 1.32   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  21.80 +/- 0.86   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.33 +/- 0.77   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.62 +/- 0.54   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.90 +/- 1.11   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.9:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.77 +/- 0.07  99.998% * 99.8559% (1.00  10.0 10.00   4.44 127.88) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  17.54 +/- 0.81   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  21.41 +/- 0.98   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  32.94 +/- 1.84   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  31.59 +/- 1.52   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.9:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.29 +/- 0.03  99.963% * 99.2075% (1.00  10.0 10.00   3.87 127.88) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25   9.65 +/- 1.38   0.037% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  26.24 +/- 1.80   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.31 +/- 1.06   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  26.34 +/- 1.46   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  25.28 +/- 1.99   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  27.87 +/- 1.74   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.9:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.07 +/- 0.14  99.997% * 99.2383% (1.00  10.0 10.00   4.31 127.88) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  12.68 +/- 1.12   0.002% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.87 +/- 0.36   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  25.65 +/- 0.99   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 127.9:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.96 +/- 0.12  99.995% * 99.7000% (1.00  10.0 10.00   4.53 127.88) = 100.000%  kept
          QG    GLN   17 - HG2   GLU-  25  19.39 +/- 1.56   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  17.75 +/- 0.64   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.62 +/- 0.80   0.001% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.16 +/- 0.45   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  22.53 +/- 1.10   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.9:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.77 +/- 0.07  99.952% * 99.4104% (1.00  10.0 10.00   4.44 127.88) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.22 +/- 0.48   0.041% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.77 +/- 0.64   0.005% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.49 +/- 1.86   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.44 +/- 0.57   0.000% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.42 +/- 1.46   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.28 +/- 1.34   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  27.91 +/- 0.75   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.00 +/- 0.98   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.9:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.998% * 99.6757% (1.00  10.0 10.00   3.31 127.88) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  11.52 +/- 1.19   0.002% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.59 +/- 1.28   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  27.78 +/- 1.23   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.46 +/- 1.78   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  27.05 +/- 1.55   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  29.57 +/- 1.63   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.9:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.36 +/- 0.04  99.961% * 98.4268% (1.00  10.0 10.00   3.74 127.88) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  13.25 +/- 0.90   0.029% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.02 +/- 0.32   0.009% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  25.98 +/- 1.12   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.17 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 127.9:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.74 +/- 0.05  99.997% * 99.7000% (1.00  10.0 10.00   3.95 127.88) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  19.60 +/- 1.47   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  18.92 +/- 0.67   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.52 +/- 0.80   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.46 +/- 0.44   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.92 +/- 1.05   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.23 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.9:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.29 +/- 0.03  99.989% * 98.6730% (1.00  10.0 10.00   3.87 127.88) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  10.91 +/- 0.48   0.009% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.22 +/- 0.62   0.001% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  19.96 +/- 1.70   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.24 +/- 1.52   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.62 +/- 0.56   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  27.92 +/- 1.37   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.63 +/- 0.68   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  32.79 +/- 0.97   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.9:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 127.88) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  18.89 +/- 0.65   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.25 +/- 0.97   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  34.90 +/- 1.73   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  33.57 +/- 1.41   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 35.6:
    * O T HB    THR   26 - HA    THR   26   3.04 +/- 0.02  99.999% * 99.8279% (1.00  10.0 10.00   3.20  35.64) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  22.73 +/- 1.32   0.001% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  29.96 +/- 0.51   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.64 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 35.6:
    * O T QG2   THR   26 - HA    THR   26   2.55 +/- 0.12  99.984% * 99.3101% (1.00  10.0 10.00   3.20  35.64) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  11.31 +/- 0.66   0.014% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  18.00 +/- 0.73   0.001% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  20.67 +/- 2.26   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  22.78 +/- 0.74   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  26.47 +/- 1.63   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.85 +/- 1.00   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  26.71 +/- 1.02   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  24.95 +/- 0.50   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  26.54 +/- 1.55   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 35.6:
    * O T HA    THR   26 - HB    THR   26   3.04 +/- 0.02  99.473% * 99.6617% (1.00  10.0 10.00   3.20  35.64) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.80 +/- 0.14   0.356% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.04 +/- 0.44   0.154% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  13.79 +/- 0.36   0.012% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  17.75 +/- 1.95   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  21.17 +/- 0.96   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.01 +/- 0.91   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.10 +/- 0.94   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.63 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.6:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.972% * 99.4369% (1.00  10.0 10.00   3.00  35.64) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26   8.78 +/- 0.77   0.027% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  19.04 +/- 2.29   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  18.28 +/- 0.81   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  24.08 +/- 0.50   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  21.74 +/- 0.84   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  25.76 +/- 1.56   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  21.07 +/- 1.07   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  24.79 +/- 1.75   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.09 +/- 1.06   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.2, residual support = 35.6:
    * O T HA    THR   26 - QG2   THR   26   2.55 +/- 0.12  99.171% * 98.6211% (1.00  10.0 10.00   3.20  35.64) = 100.000%  kept
          HA    ILE   19 - QG2   THR   26   6.34 +/- 0.38   0.452% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG2   THR   26   6.61 +/- 0.15   0.343% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.02 +/- 0.32   0.028% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  14.23 +/- 1.66   0.005% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  19.90 +/- 0.70   0.000% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.36 +/- 0.81   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  18.15 +/- 0.68   0.001% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.6:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01  99.999% * 99.1149% (1.00  10.0 10.00   3.00  35.64) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  23.62 +/- 0.51   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  16.72 +/- 1.14   0.001% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.5:
    * O T HB2   TRP   27 - HA    TRP   27   2.98 +/- 0.02  99.978% * 99.8554% (1.00  10.0 10.00   4.74 107.49) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.56 +/- 0.97   0.021% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  20.68 +/- 1.13   0.001% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.5:
    * O T HB3   TRP   27 - HA    TRP   27   2.30 +/- 0.04  99.995% * 99.7166% (1.00  10.0 10.00   4.76 107.49) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.32 +/- 0.47   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.04 +/- 1.47   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.92 +/- 1.53   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.25 +/- 0.66   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.65 +/- 0.73   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.5:
    * O T HA    TRP   27 - HB2   TRP   27   2.98 +/- 0.02  99.997% * 99.7755% (1.00  10.0 10.00   4.74 107.49) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  19.03 +/- 0.84   0.002% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.92 +/- 0.62   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.64 +/- 0.78   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (3.56, 3.56, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   TRP   27 - HB2   TRP   27  (1.00)  kept
 
    Peak 179 (2.99, 3.56, 30.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.5:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 107.49) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  16.14 +/- 0.72   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.77 +/- 1.59   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.78 +/- 1.41   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.90 +/- 0.86   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.29 +/- 0.81   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.5:
    * O T HA    TRP   27 - HB3   TRP   27   2.30 +/- 0.04  99.999% * 99.7755% (1.00  10.0 10.00   4.76 107.49) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  18.49 +/- 1.03   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.92 +/- 0.51   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.52 +/- 0.76   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.5:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.997% * 99.8554% (1.00  10.0 10.00   4.97 107.49) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  10.36 +/- 0.97   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.00 +/- 1.07   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 94.5:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  99.605% * 99.2152% (1.00  10.0 10.00   4.49  94.49) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.61 +/- 1.15   0.137% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.43 +/- 1.48   0.185% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  10.84 +/- 1.01   0.058% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  13.79 +/- 0.72   0.012% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  17.81 +/- 0.79   0.003% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  21.05 +/- 1.81   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 94.5:
    * O T HB3   ASN   28 - HA    ASN   28   2.47 +/- 0.11  99.693% * 99.8456% (1.00  10.0 10.00   4.20  94.49) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.66 +/- 0.47   0.306% *  0.0922% (0.92   1.0  1.00   0.02   8.10) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  21.13 +/- 2.11   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  21.20 +/- 1.34   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 94.5:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  93.456% * 99.0365% (1.00  10.0 10.00   4.49  94.49) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   5.11 +/- 0.19   4.314% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HB2   ASN   35   6.05 +/- 0.47   1.714% *  0.0291% (0.29   1.0  1.00   0.02  18.79) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.61 +/- 1.15   0.127% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   8.16 +/- 0.93   0.328% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.24 +/- 0.29   0.023% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  13.89 +/- 1.73   0.014% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.34 +/- 0.95   0.015% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  14.76 +/- 0.51   0.007% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.58 +/- 0.84   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.91 +/- 1.15   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  29.01 +/- 1.23   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  25.77 +/- 1.11   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  24.71 +/- 2.14   0.000% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  30.22 +/- 1.61   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  28.51 +/- 1.50   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  23.70 +/- 1.34   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  31.50 +/- 1.21   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 94.5:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.975% * 99.4888% (1.00  10.0 10.00   5.43  94.49) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.27 +/- 0.36   0.021% *  0.0918% (0.92   1.0  1.00   0.02   8.10) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35  10.21 +/- 1.05   0.003% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.75 +/- 1.05   0.001% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  23.75 +/- 2.11   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.70 +/- 2.42   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.00 +/- 1.24   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  20.60 +/- 1.70   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 94.5:
    * O T HA    ASN   28 - HB3   ASN   28   2.47 +/- 0.11  99.682% * 99.4977% (1.00  10.0 10.00   4.20  94.49) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.62 +/- 0.21   0.299% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.82 +/- 0.24   0.009% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  12.61 +/- 1.68   0.008% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.08 +/- 0.61   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.26 +/- 0.77   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.37 +/- 1.09   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  28.52 +/- 1.14   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  29.76 +/- 1.70   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 94.5:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.991% * 99.2152% (1.00  10.0 10.00   5.43  94.49) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28  10.21 +/- 1.05   0.003% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28  10.23 +/- 1.72   0.004% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  11.61 +/- 1.07   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  14.90 +/- 0.77   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  18.60 +/- 0.79   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  23.04 +/- 1.86   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.67, residual support = 92.3:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.89 +/- 0.22  99.366% * 98.3644% (1.00  10.0 10.00   4.67  92.30) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   7.91 +/- 0.34   0.244% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    LYS+  33   8.82 +/- 0.69   0.138% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  15.40 +/- 0.52   0.005% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  14.61 +/- 0.65   0.006% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  11.50 +/- 3.09   0.098% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.20 +/- 0.97   0.035% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.54 +/- 1.16   0.031% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  15.28 +/- 2.14   0.007% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  15.09 +/- 2.81   0.010% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  13.32 +/- 2.30   0.020% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  16.08 +/- 1.09   0.004% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.04 +/- 1.03   0.003% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.06 +/- 0.87   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.68 +/- 2.91   0.012% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  20.50 +/- 1.39   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  15.74 +/- 0.43   0.004% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  16.43 +/- 2.13   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  23.51 +/- 0.97   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  25.56 +/- 0.91   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.31 +/- 0.80   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.03 +/- 0.71   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  28.61 +/- 1.11   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.54 +/- 1.09   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.46 +/- 0.94   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.52 +/- 1.03   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.77 +/- 1.08   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.46 +/- 0.94   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  22.02 +/- 1.05   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.57 +/- 1.14   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  24.39 +/- 1.00   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  29.73 +/- 0.99   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  31.42 +/- 1.06   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.26 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.83, support = 5.12, residual support = 91.4:
      O   HB3   GLU-  29 - HA    GLU-  29   2.69 +/- 0.17  34.752% * 44.1457% (0.80  10.0  1.00   5.17  92.30) =  79.875%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.56 +/- 0.20   6.664% * 55.1314% (1.00  10.0 10.00   5.10  92.30) =  19.127%  kept
          QB    GLU-  36 - HA    LYS+  33   2.46 +/- 0.19  57.604% *  0.3324% (0.13   1.0  1.00   0.90   0.02) =   0.997%  kept
          QB    GLU-  36 - HA    GLN   32   5.22 +/- 0.44   0.730% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33  10.10 +/- 0.73   0.013% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   8.45 +/- 0.51   0.037% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.48 +/- 0.33   0.072% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.99 +/- 0.77   0.058% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.81 +/- 0.30   0.028% *  0.0123% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.78 +/- 0.22   0.029% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.39 +/- 0.38   0.011% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.04 +/- 0.44   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  15.75 +/- 1.00   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  24.59 +/- 1.22   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  19.68 +/- 0.99   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  21.21 +/- 0.97   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  26.47 +/- 1.17   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  29.06 +/- 1.11   0.000% *  0.0143% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.67, residual support = 92.3:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.44 +/- 0.47  99.687% * 99.0116% (1.00  10.0 10.00   4.67  92.30) =  99.999%  kept
        T HG2   GLU-  29 - HA    GLN   32   7.38 +/- 0.40   0.195% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    LYS+  33   8.98 +/- 0.82   0.104% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  15.29 +/- 1.09   0.003% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.74 +/- 0.63   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  16.19 +/- 1.42   0.002% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.46 +/- 0.97   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.76 +/- 1.36   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  16.23 +/- 1.27   0.002% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.55 +/- 1.03   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.32 +/- 0.69   0.001% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.98 +/- 0.67   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  18.32 +/- 1.08   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.84 +/- 0.81   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  29.12 +/- 1.74   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.42 +/- 0.94   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.42 +/- 0.85   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.15 +/- 0.84   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.04 +/- 0.64   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  29.14 +/- 1.98   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  29.12 +/- 1.74   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.10 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.67, residual support = 92.3:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.89 +/- 0.22  99.598% * 98.1508% (1.00  10.0 10.00   4.67  92.30) =  99.998%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.82 +/- 0.69   0.138% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB2   GLU-  29   7.91 +/- 0.34   0.245% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   GLU-  29  14.70 +/- 1.35   0.008% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLU-  29  14.92 +/- 0.91   0.006% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.43 +/- 0.78   0.003% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  22.70 +/- 0.95   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  21.89 +/- 0.92   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  29.08 +/- 1.16   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.41 +/- 0.81   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (2.25, 2.25, 30.32 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  29 - HB2   GLU-  29  (1.00)  kept
 
    Peak 198 (2.16, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.839, support = 4.4, residual support = 92.3:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  84.130% * 44.1051% (0.80  10.0  1.00   4.40  92.30) =  80.937%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.33 +/- 0.13  15.867% * 55.0806% (1.00  10.0 10.00   4.43  92.30) =  19.063%  kept
        T HB3   GLU-  79 - HB2   GLU-  29  13.98 +/- 0.99   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB2   GLU-  29  10.08 +/- 0.63   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  24.01 +/- 1.34   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.88 +/- 0.46   0.000% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 92.3:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.80 +/- 0.19  99.992% * 99.6674% (1.00  10.0 10.00   4.00  92.30) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  15.78 +/- 1.23   0.004% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  18.04 +/- 0.65   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  18.22 +/- 1.08   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.92 +/- 1.26   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.88 +/- 0.96   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  28.62 +/- 1.91   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.67, residual support = 92.3:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.44 +/- 0.47  99.690% * 98.1508% (1.00  10.0 10.00   4.67  92.30) =  99.998%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.98 +/- 0.82   0.104% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   GLU-  29   7.38 +/- 0.40   0.195% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  14.74 +/- 1.23   0.004% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLU-  29  16.76 +/- 1.16   0.004% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.61 +/- 1.11   0.002% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.07 +/- 1.49   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  22.17 +/- 0.89   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  30.41 +/- 1.33   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.76 +/- 1.39   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 92.3:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.80 +/- 0.19  99.979% * 99.5124% (1.00  10.0 10.00   4.00  92.30) = 100.000%  kept
          QG    GLU-  14 - HG2   GLU-  29  15.64 +/- 1.78   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  16.66 +/- 1.35   0.003% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  16.42 +/- 1.14   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  16.02 +/- 2.78   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  18.10 +/- 1.07   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.84 +/- 1.27   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  20.67 +/- 1.50   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  25.03 +/- 1.20   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  26.81 +/- 0.94   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  29.07 +/- 1.61   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.41 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.19, residual support = 92.3:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  95.259% * 55.3193% (1.00  10.0 10.00   4.18  92.30) =  96.170%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.90 +/- 0.09   4.737% * 44.2962% (0.80  10.0 10.00   4.40  92.30) =   3.830%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.95 +/- 0.75   0.003% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.14 +/- 1.19   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  17.01 +/- 0.62   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  24.69 +/- 1.09   0.000% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.935, support = 4.82, residual support = 154.9:
    * O T HB2   GLN   30 - HA    GLN   30   2.74 +/- 0.12  47.649% * 53.1933% (1.00  10.0 10.00   5.01 154.87) =  51.220%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.76 +/- 0.69  52.315% * 46.1414% (0.87  10.0 10.00   4.63 154.87) =  48.780%  kept
          QB    GLU-  15 - HA    GLN   30  10.94 +/- 2.01   0.030% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   30  14.34 +/- 1.26   0.003% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  22.59 +/- 1.41   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  14.54 +/- 1.05   0.003% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.88 +/- 1.16   0.001% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.20 +/- 1.29   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  23.72 +/- 1.04   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.80 +/- 1.31   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  28.20 +/- 1.21   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 5.17, residual support = 153.5:
    * O T HB3   GLN   30 - HA    GLN   30   2.96 +/- 0.09  68.279% * 97.6674% (1.00  10.0 10.00   5.20 154.87) =  99.139%  kept
          QB    LYS+  33 - HA    GLN   30   3.46 +/- 0.46  31.706% *  1.8265% (0.25   1.0  1.00   1.50   0.17) =   0.861%  kept
          HB3   LYS+  38 - HA    GLN   30  13.59 +/- 0.40   0.007% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.71 +/- 0.86   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  17.84 +/- 0.67   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  18.78 +/- 3.59   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  24.88 +/- 1.74   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.68 +/- 0.76   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  25.83 +/- 1.20   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  20.56 +/- 1.08   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  24.60 +/- 1.43   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  27.18 +/- 1.38   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 154.9:
    * O T HG2   GLN   30 - HA    GLN   30   2.98 +/- 0.54  99.446% * 99.8053% (1.00  10.0 10.00   5.64 154.87) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.55 +/- 0.14   0.551% *  0.0921% (0.92   1.0  1.00   0.02   8.10) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  21.67 +/- 2.12   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  20.19 +/- 1.01   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.01, residual support = 154.9:
    * O T HA    GLN   30 - HB2   GLN   30   2.74 +/- 0.12  99.808% * 99.6678% (1.00  10.0 10.00   5.01 154.87) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.86 +/- 0.95   0.105% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.23 +/- 0.85   0.074% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  15.09 +/- 1.16   0.005% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  14.75 +/- 1.71   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  20.93 +/- 0.96   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  18.98 +/- 0.99   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.94 +/- 1.04   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  22.47 +/- 1.28   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 154.9:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.777% * 98.9590% (1.00  10.0 10.00   4.24 154.87) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.95 +/- 0.42   0.222% *  0.0247% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.52 +/- 0.91   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.52 +/- 0.63   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.59 +/- 1.04   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  22.12 +/- 0.75   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  22.62 +/- 1.64   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.86 +/- 1.25   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  23.34 +/- 1.23   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  19.91 +/- 3.42   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  18.28 +/- 1.13   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  22.41 +/- 1.54   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.83, residual support = 154.9:
    * O T HG2   GLN   30 - HB2   GLN   30   2.87 +/- 0.22  99.721% * 99.8053% (1.00  10.0 10.00   5.83 154.87) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.77 +/- 0.48   0.276% *  0.0921% (0.92   1.0  1.00   0.02   8.10) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  19.72 +/- 2.12   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  18.13 +/- 1.03   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 154.9:
    * O T HA    GLN   30 - HB3   GLN   30   2.96 +/- 0.09  99.830% * 99.5115% (1.00  10.0 10.00   5.20 154.87) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.98 +/- 1.13   0.087% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30  10.24 +/- 0.63   0.063% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  14.02 +/- 1.14   0.010% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  15.56 +/- 1.88   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  22.68 +/- 1.24   0.001% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  20.76 +/- 0.98   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  18.48 +/- 0.86   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.64 +/- 1.06   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.99, support = 4.29, residual support = 154.9:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  91.515% * 53.1733% (1.00  10.0 10.00   4.24 154.87) =  92.559%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.67 +/- 0.24   8.482% * 46.1240% (0.87  10.0  1.00   4.91 154.87) =   7.441%  kept
          QB    GLU-  15 - HB3   GLN   30  11.56 +/- 1.89   0.002% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  14.53 +/- 1.39   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  25.79 +/- 1.11   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.92 +/- 0.86   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.88 +/- 1.23   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  20.59 +/- 1.29   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  19.92 +/- 1.41   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  21.96 +/- 1.04   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  26.36 +/- 1.30   0.000% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 154.9:
    * O T HG2   GLN   30 - HB3   GLN   30   2.50 +/- 0.24  99.726% * 99.8053% (1.00  10.0 10.00   5.82 154.87) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   6.81 +/- 0.48   0.272% *  0.0921% (0.92   1.0  1.00   0.02   8.10) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  20.25 +/- 1.99   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  18.93 +/- 1.13   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 154.9:
    * O T HA    GLN   30 - HG2   GLN   30   2.98 +/- 0.54  99.850% * 99.6678% (1.00  10.0 10.00   5.64 154.87) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  10.85 +/- 0.81   0.064% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.88 +/- 0.60   0.058% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  15.04 +/- 1.27   0.012% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  14.31 +/- 2.00   0.013% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  20.99 +/- 0.97   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.06 +/- 0.94   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  19.79 +/- 0.71   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.80 +/- 1.31   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.876, support = 6.04, residual support = 154.9:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  94.259% * 46.1414% (0.87  10.0 10.00   6.05 154.87) =  93.444%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.87 +/- 0.22   5.737% * 53.1933% (1.00  10.0 10.00   5.83 154.87) =   6.556%  kept
          QB    GLU-  15 - HG2   GLN   30  11.00 +/- 1.73   0.003% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HG2   GLN   30  20.75 +/- 1.17   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.33 +/- 1.23   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.94 +/- 0.75   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.80 +/- 1.25   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  22.14 +/- 1.17   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  22.88 +/- 0.87   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.58 +/- 1.12   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.85 +/- 1.26   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 154.9:
    * O T HB3   GLN   30 - HG2   GLN   30   2.50 +/- 0.24  98.755% * 99.4599% (1.00  10.0 10.00   5.82 154.87) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   5.82 +/- 0.69   1.238% *  0.0248% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  15.80 +/- 0.45   0.002% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.17 +/- 0.82   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  17.19 +/- 0.82   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  19.16 +/- 3.50   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.98 +/- 1.68   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.85 +/- 0.75   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  24.04 +/- 1.12   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  20.47 +/- 1.08   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  22.83 +/- 1.31   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.76 +/- 1.48   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.7:
    * O T HB2   LEU   31 - HA    LEU   31   3.02 +/- 0.01  99.528% * 99.2507% (1.00  10.0 10.00   6.00 230.71) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.84 +/- 1.23   0.308% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31   9.83 +/- 0.68   0.091% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.29 +/- 0.65   0.039% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  14.07 +/- 0.91   0.011% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.68 +/- 0.58   0.008% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.35 +/- 1.00   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  15.24 +/- 0.83   0.006% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  17.33 +/- 1.02   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  19.99 +/- 1.73   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  21.01 +/- 1.26   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.92 +/- 1.56   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.17 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.7:
    * O T HB3   LEU   31 - HA    LEU   31   2.46 +/- 0.07  99.956% * 99.6763% (1.00  10.0 10.00   6.00 230.71) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  10.09 +/- 1.16   0.033% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  11.94 +/- 0.36   0.008% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  19.19 +/- 1.34   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.54 +/- 0.69   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  17.30 +/- 0.66   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.07 +/- 1.48   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  28.40 +/- 1.21   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.92, residual support = 229.4:
    * O T HG    LEU   31 - HA    LEU   31   3.41 +/- 0.27  49.728% * 93.5515% (0.80  10.0 10.00   5.95 230.71) =  99.417%  kept
          QD2   LEU   73 - HA    LEU   31   5.32 +/- 0.60   4.160% *  6.2366% (0.92   1.0  1.00   1.16   3.35) =   0.554%  kept
          QG1   VAL   41 - HA    LEU   31   3.48 +/- 0.50  46.110% *  0.0291% (0.25   1.0  1.00   0.02   0.02) =   0.029%
          QD1   ILE   56 - HA    LEU   31  20.19 +/- 0.85   0.001% *  0.1166% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  20.39 +/- 0.99   0.001% *  0.0661% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.13 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 230.7:
    *   T QD1   LEU   31 - HA    LEU   31   3.57 +/- 0.11 100.000% *100.0000% (1.00 10.00   4.85 230.71) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.29 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 230.7:
    *   T QD2   LEU   31 - HA    LEU   31   2.00 +/- 0.34  99.941% * 99.6345% (1.00 10.00   5.73 230.71) = 100.000%  kept
        T QG2   VAL   43 - HA    LEU   31   8.12 +/- 0.78   0.046% *  0.2484% (0.25 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HA    LEU   31  10.66 +/- 1.12   0.010% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  13.37 +/- 0.81   0.003% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 230.7:
    * O T HA    LEU   31 - HB2   LEU   31   3.02 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.71) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.7:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.987% * 99.6763% (1.00  10.0 10.00   6.00 230.71) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   8.50 +/- 1.12   0.012% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.64 +/- 0.28   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.04 +/- 1.38   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.51 +/- 0.77   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  18.10 +/- 0.77   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.84 +/- 1.53   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  29.77 +/- 1.07   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.7:
    * O T HG    LEU   31 - HB2   LEU   31   2.46 +/- 0.26  98.499% * 99.6594% (0.80  10.0 10.00   5.97 230.71) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.43 +/- 0.45   1.215% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB2   LEU   31   6.92 +/- 0.47   0.285% *  0.1149% (0.92   1.0  1.00   0.02   3.35) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  21.21 +/- 0.93   0.000% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.04 +/- 1.06   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 230.7:
    * O T QD1   LEU   31 - HB2   LEU   31   2.52 +/- 0.25 100.000% *100.0000% (1.00  10.0 10.00   4.87 230.71) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.7:
    * O T QD2   LEU   31 - HB2   LEU   31   3.05 +/- 0.24  99.493% * 99.6345% (1.00  10.0 10.00   5.76 230.71) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   8.27 +/- 0.67   0.317% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31   9.68 +/- 1.22   0.171% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  12.98 +/- 0.77   0.020% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 230.7:
    * O T HA    LEU   31 - HB3   LEU   31   2.46 +/- 0.07 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.71) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.7:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.978% * 99.2507% (1.00  10.0 10.00   6.00 230.71) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.29 +/- 1.19   0.016% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.22 +/- 0.98   0.003% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.64 +/- 0.69   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.64 +/- 0.92   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.48 +/- 0.60   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  14.64 +/- 0.87   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  17.56 +/- 1.06   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  16.27 +/- 1.11   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  21.03 +/- 1.76   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  21.24 +/- 1.43   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.81 +/- 1.77   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.7:
    * O T HG    LEU   31 - HB3   LEU   31   2.73 +/- 0.32  90.269% * 98.0242% (0.80  10.0 10.00   5.97 230.71) =  99.991%  kept
        T QD2   LEU   73 - HB3   LEU   31   6.85 +/- 0.35   0.441% *  1.1301% (0.92   1.0 10.00   0.02   3.35) =   0.006%
          QG1   VAL   41 - HB3   LEU   31   4.24 +/- 0.51   9.288% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   31  20.58 +/- 1.11   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  20.71 +/- 0.96   0.001% *  0.1221% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 230.7:
    * O T QD1   LEU   31 - HB3   LEU   31   2.36 +/- 0.42 100.000% *100.0000% (1.00  10.0 10.00   4.87 230.71) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.7:
    * O T QD2   LEU   31 - HB3   LEU   31   2.79 +/- 0.15  99.740% * 99.6345% (1.00  10.0 10.00   5.76 230.71) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   8.14 +/- 0.78   0.187% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB3   LEU   31  10.10 +/- 1.24   0.061% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  12.87 +/- 0.83   0.011% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.95, residual support = 230.7:
    * O T HA    LEU   31 - HG    LEU   31   3.41 +/- 0.27 100.000% *100.0000% (0.80  10.0 10.00   5.95 230.71) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.7:
    * O T HB2   LEU   31 - HG    LEU   31   2.46 +/- 0.26  99.633% * 99.2507% (0.80  10.0 10.00   5.97 230.71) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   8.07 +/- 1.44   0.318% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  11.31 +/- 1.25   0.012% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  12.90 +/- 1.23   0.010% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.46 +/- 1.17   0.011% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  13.67 +/- 0.66   0.005% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  12.79 +/- 0.86   0.006% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  16.52 +/- 1.30   0.002% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  14.97 +/- 0.98   0.003% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  21.33 +/- 1.77   0.000% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.43 +/- 1.49   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.54 +/- 1.58   0.000% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 230.7:
    * O T HB3   LEU   31 - HG    LEU   31   2.73 +/- 0.32  99.132% * 99.4283% (0.80  10.0 10.00   5.97 230.71) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   7.80 +/- 1.54   0.836% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  11.62 +/- 0.71   0.024% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  21.44 +/- 1.76   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  19.21 +/- 1.57   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.89 +/- 0.89   0.003% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.37 +/- 0.83   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  27.73 +/- 1.17   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.95, residual support = 230.7:
    * O T QD1   LEU   31 - HG    LEU   31   2.11 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.95 230.71) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 230.7:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.784% * 99.6345% (0.80  10.0 10.00   5.84 230.71) = 100.000%  kept
        T QG2   VAL   43 - HG    LEU   31   6.47 +/- 0.68   0.158% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG    LEU   31   8.25 +/- 1.24   0.053% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  11.29 +/- 0.78   0.005% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 230.7:
    *   T HA    LEU   31 - QD1   LEU   31   3.57 +/- 0.11 100.000% *100.0000% (1.00 10.00   4.85 230.71) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 230.7:
    * O T HB2   LEU   31 - QD1   LEU   31   2.52 +/- 0.25  97.631% * 99.2507% (1.00  10.0 10.00   4.87 230.71) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   5.99 +/- 1.13   2.199% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD1   LEU   31   9.16 +/- 0.69   0.052% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  10.43 +/- 1.16   0.031% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.45 +/- 0.90   0.028% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  11.23 +/- 0.52   0.014% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  10.26 +/- 0.75   0.026% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  11.78 +/- 0.85   0.012% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  13.69 +/- 0.94   0.005% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.78 +/- 1.23   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  17.72 +/- 1.58   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.65 +/- 1.56   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 230.7:
    * O T HB3   LEU   31 - QD1   LEU   31   2.36 +/- 0.42  99.359% * 99.6763% (1.00  10.0 10.00   4.87 230.71) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   6.49 +/- 1.18   0.592% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.23 +/- 0.57   0.036% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  15.74 +/- 1.25   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.79 +/- 0.81   0.005% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  13.23 +/- 0.77   0.005% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.35 +/- 1.39   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  22.74 +/- 0.89   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.95, residual support = 230.7:
    * O T HG    LEU   31 - QD1   LEU   31   2.11 +/- 0.02  95.036% * 99.6594% (0.80  10.0 10.00   4.95 230.71) =  99.998%  kept
          QG1   VAL   41 - QD1   LEU   31   4.02 +/- 0.87   4.500% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   5.26 +/- 0.47   0.463% *  0.1149% (0.92   1.0  1.00   0.02   3.35) =   0.001%
          QD1   ILE   56 - QD1   LEU   31  15.94 +/- 0.82   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.65 +/- 1.21   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 230.7:
    * O T QD2   LEU   31 - QD1   LEU   31   2.08 +/- 0.04  99.113% * 99.6345% (1.00  10.0 10.00   4.62 230.71) =  99.998%  kept
        T QG2   VAL   43 - QD1   LEU   31   5.07 +/- 0.61   0.637% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - QD1   LEU   31   6.43 +/- 1.03   0.232% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   8.88 +/- 0.66   0.018% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 230.7:
    *   T HA    LEU   31 - QD2   LEU   31   2.00 +/- 0.34  99.954% * 99.9324% (1.00 10.00   5.73 230.71) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   8.12 +/- 0.78   0.046% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.7:
    * O T HB2   LEU   31 - QD2   LEU   31   3.05 +/- 0.24  88.552% * 98.7715% (1.00  10.0 10.00   5.76 230.71) =  99.997%  kept
          HG    LEU   98 - QD2   LEU   31   6.21 +/- 0.98   2.908% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.002%
        T QB    ALA   84 - QD2   LEU   31  10.94 +/- 0.76   0.049% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - QG2   VAL   43   8.27 +/- 0.67   0.281% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.46 +/- 0.25   2.891% *  0.0054% (0.05   1.0  1.00   0.02  15.26) =   0.000%
          HB3   LEU   80 - QD2   LEU   31   9.74 +/- 0.94   0.105% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   5.95 +/- 0.91   2.764% *  0.0035% (0.04   1.0  1.00   0.02   0.38) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31   9.78 +/- 0.77   0.100% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31   9.80 +/- 0.72   0.097% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   6.89 +/- 1.24   1.063% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  10.33 +/- 0.54   0.069% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  12.35 +/- 0.95   0.025% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.11 +/- 0.51   0.616% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.44 +/- 0.80   0.123% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  12.86 +/- 0.82   0.018% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.98 +/- 0.55   0.152% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.65 +/- 1.08   0.133% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  16.56 +/- 1.41   0.004% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  15.48 +/- 1.11   0.007% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.12 +/- 0.50   0.025% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.67 +/- 1.28   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.36 +/- 1.42   0.007% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.78 +/- 0.71   0.008% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.41 +/- 1.06   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.7:
    * O T HB3   LEU   31 - QD2   LEU   31   2.79 +/- 0.15  96.863% * 99.5873% (1.00  10.0 10.00   5.76 230.71) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   7.15 +/- 1.15   0.703% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   8.14 +/- 0.78   0.183% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   8.92 +/- 0.34   0.095% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.01 +/- 1.64   1.702% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.29 +/- 0.39   0.153% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  14.73 +/- 1.16   0.005% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.50 +/- 0.60   0.013% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  11.46 +/- 1.06   0.025% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.97 +/- 0.67   0.010% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.74 +/- 0.88   0.136% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.92 +/- 0.63   0.103% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  16.83 +/- 1.24   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  22.05 +/- 1.00   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.02 +/- 0.88   0.004% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  17.28 +/- 1.00   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 230.7:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  70.308% * 99.5693% (0.80  10.0 10.00   5.84 230.71) =  99.984%  kept
          QG1   VAL   41 - QD2   LEU   31   2.91 +/- 0.67  19.111% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.008%
          QD2   LEU   73 - QD2   LEU   31   3.57 +/- 0.44   4.082% *  0.1148% (0.92   1.0  1.00   0.02   3.35) =   0.007%
          QD2   LEU   73 - QG2   VAL   43   4.91 +/- 1.16   6.279% *  0.0078% (0.06   1.0  1.00   0.02   7.61) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   6.47 +/- 0.68   0.114% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.47 +/- 0.46   0.100% *  0.0021% (0.02   1.0  1.00   0.02   1.68) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.38 +/- 0.77   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.15 +/- 1.02   0.004% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.24 +/- 0.81   0.000% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.41 +/- 0.59   0.001% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 230.7:
    * O T QD1   LEU   31 - QD2   LEU   31   2.08 +/- 0.04  99.361% * 99.9324% (1.00  10.0 10.00   4.62 230.71) = 100.000%  kept
        T QD1   LEU   31 - QG2   VAL   43   5.07 +/- 0.61   0.639% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.686, support = 3.03, residual support = 42.0:
    * O T QB    GLN   32 - HA    GLN   32   2.49 +/- 0.02  62.642% * 48.6885% (0.69  10.0 10.00   2.96  44.10) =  93.687%  kept
        T QB    GLN   32 - HA    LYS+  33   3.97 +/- 0.04   3.891% * 50.1038% (0.71   1.0 10.00   4.37  10.96) =   5.988%  kept
        T QB    GLN   32 - HA    GLU-  29   2.82 +/- 0.31  33.432% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.325%
          HB    VAL   24 - HA    GLU-  29  10.57 +/- 0.33   0.011% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  11.68 +/- 0.97   0.007% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  11.86 +/- 1.16   0.007% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.09 +/- 0.28   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.67 +/- 0.23   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.05 +/- 2.27   0.003% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.73 +/- 1.10   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  16.18 +/- 1.03   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.80 +/- 0.86   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.76 +/- 2.14   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.84 +/- 2.18   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  22.29 +/- 1.15   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  29.09 +/- 1.20   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  29.60 +/- 1.03   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  29.84 +/- 1.02   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.35 +/- 0.88   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  31.12 +/- 1.03   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  29.09 +/- 1.28   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 2.97, residual support = 43.8:
    * O T QG    GLN   32 - HA    GLN   32   2.17 +/- 0.08  92.333% * 48.7402% (0.69  10.0 10.00   2.96  44.10) =  98.993%  kept
        T QG    GLN   32 - HA    LYS+  33   5.00 +/- 0.64   0.870% * 50.1570% (0.71   1.0 10.00   4.38  10.96) =   0.960%  kept
        T QG    GLN   32 - HA    GLU-  29   4.04 +/- 0.91   6.787% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.047%
        T HB2   GLU- 100 - HA    GLN   32  12.04 +/- 1.02   0.004% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  12.56 +/- 0.89   0.003% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  13.64 +/- 0.84   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  16.62 +/- 0.95   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  17.42 +/- 0.78   0.000% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.77 +/- 0.67   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.15 +/- 0.84   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.74 +/- 0.63   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.04 +/- 0.64   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.32 +/- 0.69   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.44 +/- 0.84   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.84 +/- 0.81   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.98 +/- 0.67   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  31.45 +/- 0.91   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  29.14 +/- 1.98   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  29.12 +/- 1.74   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  29.12 +/- 1.74   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.47 +/- 0.87   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.693, support = 3.03, residual support = 41.7:
    * O T HA    GLN   32 - QB    GLN   32   2.49 +/- 0.02  62.662% * 46.7473% (0.69  10.0 10.00   2.96  44.10) =  92.931%  kept
        T HA    LYS+  33 - QB    GLN   32   3.97 +/- 0.04   3.892% * 52.0093% (0.76   1.0 10.00   4.37  10.96) =   6.422%  kept
        T HA    GLU-  29 - QB    GLN   32   2.82 +/- 0.31  33.441% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.648%  kept
          HA    VAL   70 - QB    GLN   32  13.23 +/- 0.62   0.003% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    GLN   32  14.86 +/- 0.66   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  15.77 +/- 1.12   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  27.11 +/- 0.82   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  20.92 +/- 1.15   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.84 +/- 0.96   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.06 +/- 0.91   0.000% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.1:
    * O T QG    GLN   32 - QB    GLN   32   2.12 +/- 0.02  99.996% * 99.7611% (1.00  10.0 10.00   3.00  44.10) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  14.54 +/- 0.71   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  12.91 +/- 0.87   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  18.28 +/- 0.73   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.66 +/- 0.73   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  26.53 +/- 1.61   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.18 +/- 0.82   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.686, support = 2.95, residual support = 44.1:
    * O T HA    GLN   32 - QG    GLN   32   2.17 +/- 0.08  92.340% * 96.4116% (0.69  10.0 10.00   2.96  44.10) =  99.894%  kept
        T HA    GLU-  29 - QG    GLN   32   4.04 +/- 0.91   6.787% *  1.2588% (0.90   1.0 10.00   0.02   0.02) =   0.096%
        T HA    LYS+  33 - QG    GLN   32   5.00 +/- 0.64   0.870% *  1.0726% (0.76   1.0 10.00   0.02  10.96) =   0.010%
          HB2   SER   82 - QG    GLN   32  16.00 +/- 1.70   0.001% *  0.1355% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.17 +/- 0.64   0.001% *  0.0629% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  16.30 +/- 0.71   0.001% *  0.1296% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  26.79 +/- 0.79   0.000% *  0.6293% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  20.99 +/- 1.61   0.000% *  0.1019% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  24.87 +/- 1.30   0.000% *  0.1296% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.99 +/- 1.02   0.000% *  0.0683% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.1:
    * O T QB    GLN   32 - QG    GLN   32   2.12 +/- 0.02  99.993% * 99.6746% (1.00  10.0 10.00   3.00  44.10) = 100.000%  kept
          HB    VAL   24 - QG    GLN   32  12.46 +/- 1.12   0.003% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG    GLN   32  12.49 +/- 1.10   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  20.08 +/- 0.89   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.49 +/- 1.96   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  27.61 +/- 1.15   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  27.79 +/- 1.06   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 149.0:
    * O T QB    LYS+  33 - HA    LYS+  33   2.20 +/- 0.02  98.800% * 96.5845% (1.00  10.0 10.00   6.18 149.00) =  99.998%  kept
        T QB    LYS+  33 - HA    GLN   32   5.39 +/- 0.23   0.461% *  0.2484% (0.26   1.0 10.00   0.02  10.96) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   6.24 +/- 0.82   0.293% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.75 +/- 0.32   0.325% *  0.0067% (0.07   1.0  1.00   0.02  19.36) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   8.11 +/- 0.34   0.041% *  0.0241% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.84 +/- 0.19   0.012% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.63 +/- 0.16   0.057% *  0.0062% (0.06   1.0  1.00   0.02   1.69) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  16.90 +/- 0.61   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  22.28 +/- 0.71   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  11.01 +/- 0.29   0.006% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  19.79 +/- 0.72   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.69 +/- 0.84   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.88 +/- 0.81   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.80 +/- 0.62   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  16.33 +/- 1.22   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.68 +/- 1.09   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.67 +/- 0.35   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.16 +/- 0.77   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.97 +/- 1.39   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.21 +/- 0.64   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.86 +/- 1.15   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.63 +/- 0.64   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  32.87 +/- 1.01   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  23.07 +/- 1.02   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  29.07 +/- 1.33   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  23.35 +/- 0.61   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  24.80 +/- 1.53   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  28.52 +/- 0.62   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.86 +/- 1.22   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  30.49 +/- 0.98   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  26.24 +/- 1.64   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  26.46 +/- 1.44   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  31.72 +/- 0.92   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.84 +/- 1.30   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  27.46 +/- 0.86   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  28.08 +/- 0.83   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  31.69 +/- 0.95   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  30.02 +/- 1.10   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  27.36 +/- 1.72   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  29.15 +/- 1.54   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  27.15 +/- 0.95   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  28.14 +/- 1.19   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.992, support = 5.98, residual support = 147.5:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.22 +/- 0.32  91.279% * 76.3092% (1.00  10.0 10.00   6.00 149.00) =  98.905%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.18 +/- 0.83   3.885% * 19.6245% (0.26   1.0 10.00   4.19  10.96) =   1.083%  kept
        T HG3   LYS+  33 - HA    GLU-  29   7.25 +/- 1.91   4.127% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.012%
          QB    ALA   12 - HA    LYS+  33  12.79 +/- 2.43   0.104% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  16.57 +/- 1.78   0.006% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.46 +/- 2.18   0.019% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  12.30 +/- 0.82   0.034% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.40 +/- 0.65   0.097% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.44 +/- 0.75   0.050% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.99 +/- 0.81   0.116% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  14.31 +/- 0.41   0.013% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  22.05 +/- 1.61   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  11.84 +/- 0.60   0.043% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  18.44 +/- 2.05   0.003% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.55 +/- 0.86   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.30 +/- 0.72   0.032% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  15.67 +/- 2.59   0.018% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.74 +/- 1.10   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.74 +/- 0.43   0.011% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.47 +/- 0.98   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  16.27 +/- 2.36   0.013% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.36 +/- 1.40   0.016% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  15.65 +/- 0.57   0.008% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  23.76 +/- 1.64   0.001% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  24.08 +/- 1.34   0.001% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.70 +/- 0.89   0.005% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.50 +/- 1.34   0.038% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.23 +/- 0.75   0.015% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  13.56 +/- 0.86   0.019% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.51 +/- 1.10   0.013% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  15.81 +/- 0.59   0.007% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  19.92 +/- 0.86   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.78 +/- 0.64   0.005% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.95 +/- 0.86   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  17.67 +/- 0.86   0.004% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  16.75 +/- 0.92   0.005% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  24.41 +/- 2.31   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  26.56 +/- 1.19   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  33.13 +/- 0.97   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  24.04 +/- 2.39   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.78 +/- 1.41   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  25.50 +/- 1.38   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  26.49 +/- 2.08   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.99 +/- 1.23   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  32.80 +/- 0.96   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.13 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 149.0:
    *   T QD    LYS+  33 - HA    LYS+  33   3.38 +/- 0.75  96.163% * 97.7340% (1.00 10.00   4.79 149.00) =  99.989%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.85 +/- 1.66   1.937% *  0.2729% (0.28 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  33 - HA    GLN   32   6.57 +/- 1.43   1.872% *  0.2513% (0.26 10.00   0.02  10.96) =   0.005%
          HD2   LYS+  74 - HA    LYS+  33  18.98 +/- 0.84   0.005% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.78 +/- 0.58   0.010% *  0.0154% (0.16  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.82 +/- 1.28   0.000% *  0.8765% (0.90 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  23.07 +/- 1.03   0.001% *  0.0848% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  26.40 +/- 1.70   0.001% *  0.0977% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.85 +/- 0.68   0.005% *  0.0142% (0.15  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.03 +/- 1.17   0.002% *  0.0237% (0.24  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  32.54 +/- 1.55   0.000% *  0.2254% (0.23 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  33.12 +/- 1.21   0.000% *  0.2447% (0.25 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  23.25 +/- 0.93   0.001% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.60 +/- 1.79   0.001% *  0.0251% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  29.73 +/- 1.51   0.000% *  0.0273% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  32.66 +/- 1.27   0.000% *  0.0193% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  30.58 +/- 1.13   0.000% *  0.0054% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  32.42 +/- 0.84   0.000% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.18 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.715, support = 4.75, residual support = 102.7:
    *   T QE    LYS+  33 - HA    LYS+  33   4.17 +/- 0.46  21.414% * 50.1967% (1.00 10.00   5.36 149.00) =  63.228%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.91 +/- 0.24  27.595% * 13.7368% (0.27 10.00   4.74  34.58) =  22.298%  kept
        T HB2   ASN   35 - HA    GLN   32   3.82 +/- 0.81  40.844% *  4.4034% (0.09 10.00   2.06   5.83) =  10.580%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.56 +/- 0.24   3.031% * 16.9693% (0.34 10.00   1.98   1.43) =   3.025%  kept
        T QE    LYS+  33 - HA    GLN   32   7.04 +/- 0.89   1.079% * 12.9091% (0.26 10.00   3.27  10.96) =   0.819%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.91 +/- 2.03   5.279% *  0.1401% (0.28 10.00   0.02   0.02) =   0.044%
        T HB2   ASN   28 - HA    GLN   32   7.72 +/- 0.52   0.480% *  0.1265% (0.25 10.00   0.02   0.02) =   0.004%
        T HB2   ASN   28 - HA    LYS+  33  10.64 +/- 0.62   0.068% *  0.4920% (0.98 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    GLU-  29   9.03 +/- 0.90   0.165% *  0.0478% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  20.77 +/- 2.03   0.001% *  0.4502% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.37 +/- 0.77   0.005% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  20.99 +/- 0.92   0.001% *  0.1118% (0.22 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  22.10 +/- 2.12   0.001% *  0.1257% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  14.27 +/- 1.37   0.013% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  22.66 +/- 1.72   0.001% *  0.1158% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  15.49 +/- 0.93   0.007% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  19.81 +/- 1.29   0.002% *  0.0345% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  16.43 +/- 1.35   0.005% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  19.85 +/- 0.73   0.002% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.51 +/- 0.82   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.62 +/- 0.94   0.000% *  0.0325% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.32 +/- 1.18   0.004% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.16 +/- 0.82   0.000% *  0.0084% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.69 +/- 1.00   0.002% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 149.0:
    * O T HA    LYS+  33 - QB    LYS+  33   2.20 +/- 0.02  98.736% * 98.1731% (1.00  10.0 10.00   6.18 149.00) =  99.996%  kept
        T HA    GLU-  29 - QB    LYS+  33   6.24 +/- 0.82   0.293% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QB    LYS+  33   5.39 +/- 0.23   0.461% *  0.2730% (0.28   1.0 10.00   0.02  10.96) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.84 +/- 0.77   0.488% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.59 +/- 0.85   0.017% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  11.82 +/- 0.78   0.004% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  18.40 +/- 1.04   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.72 +/- 0.91   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.48 +/- 0.94   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  23.65 +/- 1.01   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  22.62 +/- 1.03   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 149.0:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.44 +/- 0.11  99.836% * 96.3761% (1.00  10.0 10.00   6.18 149.00) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33  10.02 +/- 0.68   0.024% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  10.24 +/- 2.07   0.069% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33   9.29 +/- 0.86   0.041% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.50 +/- 1.36   0.002% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  11.46 +/- 0.53   0.010% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  17.86 +/- 1.61   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.75 +/- 0.77   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  12.97 +/- 0.87   0.005% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.45 +/- 1.21   0.009% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  15.68 +/- 0.86   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  16.91 +/- 0.86   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  21.27 +/- 2.04   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  22.32 +/- 1.06   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  28.24 +/- 0.99   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 149.0:
    * O T QD    LYS+  33 - QB    LYS+  33   2.25 +/- 0.24  99.998% * 97.3258% (1.00  10.0 10.00   5.05 149.00) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  15.08 +/- 0.79   0.001% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.69 +/- 1.46   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  19.07 +/- 1.02   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  29.19 +/- 1.05   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  27.34 +/- 1.29   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 149.0:
    *   T QE    LYS+  33 - QB    LYS+  33   2.98 +/- 0.65  98.325% * 98.6189% (1.00 10.00   5.62 149.00) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.66 +/- 0.40   1.390% *  0.0336% (0.34  1.00   0.02   1.43) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   9.08 +/- 0.72   0.214% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  16.86 +/- 1.99   0.006% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.06 +/- 0.97   0.005% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  12.00 +/- 1.38   0.055% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  17.13 +/- 1.20   0.005% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.28 +/- 0.97   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.999, support = 6.0, residual support = 148.9:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.22 +/- 0.32  86.037% * 93.2464% (1.00  10.0 10.00   6.00 149.00) =  99.940%  kept
        T HA    GLU-  29 - HG3   LYS+  33   7.25 +/- 1.91   4.091% *  0.8999% (0.97   1.0 10.00   0.02   0.02) =   0.046%
        T HA    GLN   32 - HG3   LYS+  33   6.18 +/- 0.83   3.822% *  0.2593% (0.28   1.0 10.00   0.02  10.96) =   0.012%
          HB2   SER   37 - HG3   LYS+  33   6.09 +/- 1.90   5.170% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+  65   8.18 +/- 1.62   0.608% *  0.0762% (0.82   1.0  1.00   0.02   0.15) =   0.001%
          HA    VAL   70 - HG3   LYS+  33  10.36 +/- 1.35   0.088% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  16.57 +/- 1.78   0.006% *  0.4632% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.46 +/- 2.18   0.018% *  0.1288% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.70 +/- 0.83   0.030% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  13.23 +/- 0.86   0.021% *  0.0882% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  18.44 +/- 2.05   0.003% *  0.4470% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  13.99 +/- 1.12   0.018% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.53 +/- 0.57   0.018% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  22.05 +/- 1.61   0.001% *  0.8052% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.47 +/- 0.98   0.001% *  0.5718% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.55 +/- 0.86   0.001% *  0.5925% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  23.76 +/- 1.64   0.001% *  0.7771% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.13 +/- 1.05   0.010% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.79 +/- 0.82   0.007% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.74 +/- 1.10   0.002% *  0.1647% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.25 +/- 1.60   0.014% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.24 +/- 0.77   0.004% *  0.0561% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.13 +/- 1.07   0.002% *  0.0914% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  20.67 +/- 2.10   0.002% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.08 +/- 1.34   0.001% *  0.2239% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  19.89 +/- 1.26   0.002% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  15.66 +/- 1.62   0.008% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.78 +/- 1.76   0.001% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  20.84 +/- 0.72   0.001% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  22.68 +/- 2.96   0.001% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.23 +/- 1.23   0.002% *  0.0179% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.17 +/- 1.33   0.001% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.62 +/- 0.92   0.001% *  0.0312% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.18 +/- 1.10   0.000% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  20.82 +/- 2.36   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.52 +/- 0.75   0.001% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.38 +/- 1.43   0.002% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.49 +/- 1.42   0.000% *  0.0491% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  27.77 +/- 1.48   0.000% *  0.0722% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  25.15 +/- 1.42   0.000% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.38 +/- 1.19   0.000% *  0.0249% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.75 +/- 1.59   0.000% *  0.0244% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.53 +/- 1.14   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.26 +/- 1.26   0.000% *  0.0071% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.851, support = 6.1, residual support = 144.1:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.44 +/- 0.11  49.498% * 60.0127% (1.00  10.0 10.00   6.18 149.00) =  62.753%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.44 +/- 0.04  48.874% * 36.0742% (0.60  10.0 10.00   5.95 135.78) =  37.246%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.24 +/- 0.28   0.526% *  0.0374% (0.62   1.0  1.00   0.02  22.02) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.91 +/- 1.30   0.346% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   6.40 +/- 0.92   0.318% *  0.0282% (0.47   1.0  1.00   0.02  22.39) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.60 +/- 1.61   0.375% *  0.0150% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.97 +/- 1.22   0.004% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.18 +/- 1.62   0.016% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.47 +/- 1.56   0.013% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.50 +/- 1.36   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  17.86 +/- 1.61   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.66 +/- 0.87   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  11.09 +/- 2.16   0.011% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.83 +/- 0.60   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.31 +/- 1.16   0.004% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.75 +/- 0.77   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.87 +/- 1.58   0.001% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.08 +/- 1.59   0.003% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.79 +/- 1.58   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.33 +/- 1.38   0.000% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  14.72 +/- 1.27   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  16.58 +/- 1.63   0.001% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.93 +/- 1.42   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.36 +/- 0.79   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.33 +/- 1.65   0.002% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.72 +/- 1.25   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  20.65 +/- 1.17   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.28 +/- 1.52   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  20.21 +/- 1.84   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.18 +/- 0.83   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.27 +/- 0.72   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.20 +/- 2.31   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.04 +/- 1.69   0.001% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  18.35 +/- 1.53   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.74 +/- 0.85   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.64 +/- 1.08   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.09 +/- 0.92   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.06 +/- 1.02   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  24.49 +/- 1.33   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  23.09 +/- 2.32   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.15 +/- 1.14   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  26.29 +/- 1.60   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  21.07 +/- 1.26   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  24.91 +/- 2.48   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  27.75 +/- 1.42   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  26.57 +/- 0.75   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.54 +/- 1.90   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  29.72 +/- 1.40   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.67 +/- 1.88   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.98 +/- 1.36   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.60 +/- 1.68   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.46 +/- 1.30   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.75 +/- 1.65   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  28.43 +/- 1.26   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  31.02 +/- 1.35   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.86 +/- 1.23   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 149.0:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.34 +/- 0.15  99.952% * 94.8130% (1.00  10.0 10.00   4.55 149.00) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   9.85 +/- 1.30   0.028% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.00 +/- 1.67   0.003% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  17.68 +/- 2.04   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  16.73 +/- 1.58   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.55 +/- 1.28   0.006% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.48 +/- 1.52   0.003% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.80 +/- 0.84   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.41 +/- 1.71   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  15.72 +/- 0.87   0.001% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.85 +/- 1.10   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.88 +/- 1.22   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.86 +/- 2.12   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.14 +/- 1.10   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  21.21 +/- 1.23   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  32.36 +/- 1.18   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.62 +/- 1.93   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  21.27 +/- 2.36   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  24.93 +/- 2.02   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.17 +/- 0.99   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.12 +/- 1.56   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.15 +/- 0.86   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  30.52 +/- 1.53   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.02 +/- 1.31   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.867, support = 4.56, residual support = 157.6:
      O T QE    LYS+  65 - HG3   LYS+  65   2.36 +/- 0.46  65.096% * 42.3520% (0.77  10.0 10.00   4.28 163.49) =  59.152%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.73 +/- 0.53  34.814% * 54.6859% (1.00  10.0 10.00   4.96 149.00) =  40.848%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.40 +/- 0.56   0.059% *  0.0187% (0.34   1.0  1.00   0.02   1.43) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.35 +/- 1.92   0.017% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.79 +/- 2.08   0.000% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.82 +/- 2.09   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.22 +/- 1.76   0.000% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  12.81 +/- 1.41   0.003% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.61 +/- 0.95   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.10 +/- 1.24   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.44 +/- 1.78   0.003% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  19.20 +/- 1.56   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.17 +/- 1.74   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  13.06 +/- 1.91   0.002% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.64 +/- 1.18   0.002% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  19.65 +/- 0.99   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.61 +/- 2.43   0.001% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.29 +/- 0.85   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.31 +/- 2.32   0.000% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  19.05 +/- 1.57   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.03 +/- 1.12   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  25.02 +/- 1.79   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.27 +/- 1.68   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.28 +/- 1.21   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.91 +/- 1.63   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.69 +/- 1.69   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.28 +/- 1.13   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  24.76 +/- 1.03   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.43 +/- 1.63   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.96 +/- 0.98   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.57 +/- 1.40   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  28.58 +/- 1.96   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 149.0:
    *   T HA    LYS+  33 - QD    LYS+  33   3.38 +/- 0.75  88.639% * 96.0049% (1.00 10.00   4.79 149.00) =  99.972%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.85 +/- 1.66   1.823% *  0.9265% (0.97 10.00   0.02   0.02) =   0.020%
        T HA    GLN   32 - QD    LYS+  33   6.57 +/- 1.43   1.742% *  0.2669% (0.28 10.00   0.02  10.96) =   0.005%
          HB2   SER   37 - QD    LYS+  33   6.26 +/- 1.12   7.111% *  0.0214% (0.22  1.00   0.02   0.02) =   0.002%
          HA    VAL   70 - QD    LYS+  33   9.87 +/- 1.59   0.432% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD    LYS+  33  11.83 +/- 1.44   0.119% *  0.0908% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.65 +/- 0.83   0.090% *  0.0746% (0.78  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  19.15 +/- 1.49   0.004% *  0.0861% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.78 +/- 1.28   0.025% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.14 +/- 1.63   0.005% *  0.0266% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  33.12 +/- 1.21   0.000% *  0.8303% (0.86 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.82 +/- 1.28   0.000% *  0.8603% (0.90 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  21.57 +/- 1.12   0.002% *  0.0453% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.16 +/- 1.38   0.001% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.98 +/- 1.37   0.001% *  0.0814% (0.85  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.94 +/- 1.21   0.001% *  0.0505% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  25.77 +/- 1.43   0.001% *  0.0746% (0.78  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.54 +/- 1.55   0.000% *  0.2392% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  27.50 +/- 1.15   0.001% *  0.0772% (0.80  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  23.53 +/- 1.08   0.001% *  0.0296% (0.31  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.91 +/- 1.23   0.001% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  32.29 +/- 1.19   0.000% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 149.0:
    * O T QB    LYS+  33 - QD    LYS+  33   2.25 +/- 0.24  99.692% * 94.1852% (1.00  10.0 10.00   5.05 149.00) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.59 +/- 0.88   0.251% *  0.0235% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  15.66 +/- 1.78   0.001% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.13 +/- 1.27   0.009% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  17.16 +/- 1.50   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  10.81 +/- 1.64   0.011% *  0.0478% (0.51   1.0  1.00   0.02   2.22) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.65 +/- 0.67   0.011% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.29 +/- 1.37   0.009% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.41 +/- 1.72   0.002% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  11.18 +/- 1.53   0.009% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  17.92 +/- 1.04   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  17.45 +/- 1.83   0.001% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.94 +/- 0.80   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.96 +/- 0.68   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  26.82 +/- 1.63   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  26.87 +/- 2.13   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.72 +/- 2.04   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.51 +/- 0.96   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  19.72 +/- 1.11   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.34 +/- 1.59   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  29.19 +/- 1.05   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  23.17 +/- 1.36   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  25.65 +/- 1.20   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  24.38 +/- 1.14   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  26.27 +/- 1.06   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  28.37 +/- 1.28   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.91 +/- 1.65   0.000% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  28.45 +/- 1.27   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 149.0:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.34 +/- 0.15  99.597% * 93.1714% (1.00  10.0 10.00   4.55 149.00) = 100.000%  kept
          QB    ALA   12 - QD    LYS+  33   9.44 +/- 2.17   0.254% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HD3   LYS+ 111   7.89 +/- 0.72   0.076% *  0.0749% (0.80   1.0  1.00   0.02  27.89) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.98 +/- 1.09   0.025% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.00 +/- 1.67   0.003% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  16.73 +/- 1.58   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  17.68 +/- 2.04   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  14.38 +/- 2.16   0.003% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  12.06 +/- 0.96   0.007% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.12 +/- 0.84   0.011% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.99 +/- 0.94   0.012% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.80 +/- 0.84   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.17 +/- 1.17   0.004% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.41 +/- 1.71   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.86 +/- 2.12   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.63 +/- 1.28   0.003% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  20.59 +/- 1.28   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.71 +/- 1.23   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  16.32 +/- 0.98   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.50 +/- 1.07   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.52 +/- 0.86   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  32.36 +/- 1.18   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  24.12 +/- 1.04   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  22.05 +/- 2.05   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.56 +/- 1.54   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.88 +/- 1.35   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  28.67 +/- 1.44   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  24.02 +/- 1.13   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.36 +/- 1.73   0.000% *  0.0669% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.91 +/- 1.27   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 149.0:
    * O T QE    LYS+  33 - QD    LYS+  33   2.11 +/- 0.03  99.925% * 96.5704% (1.00  10.0 10.00   4.16 149.00) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.90 +/- 0.95   0.052% *  0.0329% (0.34   1.0  1.00   0.02   1.43) =   0.000%
          HB2   ASN   28 - QD    LYS+  33   9.84 +/- 1.50   0.016% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  16.64 +/- 2.25   0.001% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.38 +/- 1.07   0.000% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.94 +/- 2.00   0.005% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.74 +/- 1.78   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  18.13 +/- 1.28   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  30.18 +/- 1.78   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  24.54 +/- 1.11   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.58 +/- 1.06   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.83 +/- 1.37   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  25.14 +/- 1.49   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.20 +/- 1.20   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.53 +/- 1.90   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  29.04 +/- 1.76   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.986, support = 5.31, residual support = 146.4:
    *   T HA    LYS+  33 - QE    LYS+  33   4.17 +/- 0.46  56.237% * 76.3050% (1.00 10.00   5.36 149.00) =  98.116%  kept
        T HA    GLN   32 - QE    LYS+  33   7.04 +/- 0.89   3.327% * 21.2156% (0.28 10.00   3.27  10.96) =   1.614%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.91 +/- 2.03  15.373% *  0.7364% (0.97 10.00   0.02   0.02) =   0.259%
          HB2   SER   37 - QE    LYS+  33   6.69 +/- 2.12  20.721% *  0.0170% (0.22  1.00   0.02   0.02) =   0.008%
          HA    VAL   18 - QE    LYS+  65   8.22 +/- 1.93   1.817% *  0.0371% (0.49  1.00   0.02   0.15) =   0.002%
          HA    VAL   70 - QE    LYS+  33  10.28 +/- 2.01   0.469% *  0.0662% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QE    LYS+  33  11.93 +/- 1.58   0.176% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASP-  76   8.25 +/- 1.23   1.356% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.52 +/- 1.63   0.066% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  12.88 +/- 0.87   0.066% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.37 +/- 0.77   0.017% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  11.02 +/- 0.78   0.176% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  20.77 +/- 2.03   0.004% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  22.10 +/- 2.12   0.003% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.19 +/- 0.76   0.062% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  19.11 +/- 2.03   0.009% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  20.99 +/- 0.92   0.004% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.66 +/- 1.72   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  18.55 +/- 1.42   0.008% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  19.85 +/- 0.73   0.005% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  24.45 +/- 1.76   0.002% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.79 +/- 0.67   0.029% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.88 +/- 1.69   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  14.21 +/- 1.23   0.041% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.45 +/- 1.56   0.008% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.34 +/- 1.10   0.008% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.62 +/- 1.50   0.002% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.44 +/- 0.62   0.004% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  25.49 +/- 1.49   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.29 +/- 1.56   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.33 +/- 1.00   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.94 +/- 1.65   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.46 +/- 1.00   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.24 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 149.0:
    *   T QB    LYS+  33 - QE    LYS+  33   2.98 +/- 0.65  96.339% * 97.9499% (1.00 10.00   5.62 149.00) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   6.72 +/- 1.28   2.803% *  0.0244% (0.25  1.00   0.02   0.17) =   0.001%
          HG3   PRO   68 - QE    LYS+  65  10.37 +/- 1.41   0.136% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.33 +/- 0.69   0.382% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  11.15 +/- 1.64   0.104% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  16.86 +/- 1.99   0.006% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  12.94 +/- 2.04   0.064% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  15.93 +/- 2.06   0.008% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.06 +/- 0.97   0.005% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.72 +/- 1.55   0.014% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.84 +/- 1.07   0.019% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.54 +/- 1.62   0.025% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.35 +/- 1.04   0.003% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  18.22 +/- 1.02   0.003% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.99 +/- 0.94   0.005% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  19.44 +/- 1.54   0.003% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.56 +/- 1.17   0.004% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  20.06 +/- 1.42   0.002% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  15.89 +/- 1.57   0.008% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.00 +/- 0.96   0.025% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.07 +/- 0.66   0.007% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.36 +/- 1.85   0.005% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.16 +/- 0.92   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.73 +/- 1.17   0.005% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  22.33 +/- 1.38   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  25.70 +/- 1.74   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  19.09 +/- 0.95   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  24.15 +/- 1.37   0.001% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  26.82 +/- 1.76   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  24.50 +/- 1.40   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.27 +/- 1.13   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  21.27 +/- 1.82   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  23.06 +/- 2.18   0.001% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  15.59 +/- 1.53   0.007% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.35 +/- 1.34   0.004% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.95 +/- 0.96   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  20.81 +/- 1.18   0.001% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  25.09 +/- 0.94   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  28.45 +/- 1.56   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  26.38 +/- 1.66   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.05 +/- 0.76   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.52 +/- 1.09   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (1.38, 2.92, 42.01 ppm):
    45 chemical-shift based assignments, quality = 0.761, support = 4.63, residual support = 156.1:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.73 +/- 0.53  34.571% * 63.8684% (1.00  10.0 10.00   4.96 149.00) =  51.221%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.36 +/- 0.46  64.614% * 32.5421% (0.51  10.0 10.00   4.28 163.49) =  48.778%  kept
          QB    ALA   12 - QE    LYS+  33   9.42 +/- 1.99   0.038% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  33  10.11 +/- 1.58   0.014% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.63 +/- 0.97   0.546% *  0.0015% (0.02   1.0  1.00   0.02   3.86) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.76 +/- 0.85   0.125% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.22 +/- 1.76   0.000% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  17.79 +/- 2.08   0.000% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  12.35 +/- 1.40   0.003% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.49 +/- 1.16   0.004% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  11.89 +/- 0.76   0.003% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.56 +/- 0.45   0.051% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.01 +/- 0.81   0.010% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  18.82 +/- 2.09   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  20.10 +/- 1.24   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  14.01 +/- 2.12   0.002% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  19.61 +/- 0.95   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.16 +/- 1.60   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.50 +/- 1.60   0.001% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  12.42 +/- 2.14   0.004% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.20 +/- 1.56   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.17 +/- 1.74   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  14.02 +/- 1.54   0.002% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.75 +/- 1.71   0.000% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.29 +/- 0.85   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  19.65 +/- 0.99   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  16.67 +/- 0.82   0.000% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.59 +/- 0.62   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.60 +/- 1.58   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  16.27 +/- 1.66   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.53 +/- 1.30   0.000% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  25.02 +/- 1.79   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  14.11 +/- 1.52   0.002% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  18.11 +/- 1.61   0.000% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  16.22 +/- 0.96   0.001% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  18.75 +/- 1.05   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  22.44 +/- 2.05   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.64 +/- 0.96   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  23.00 +/- 1.83   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  20.68 +/- 1.98   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  28.91 +/- 1.72   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  20.23 +/- 1.83   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.15 +/- 1.18   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  23.46 +/- 2.12   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.19 +/- 1.23   0.000% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 149.0:
    * O T QD    LYS+  33 - QE    LYS+  33   2.11 +/- 0.03  99.838% * 97.4730% (1.00  10.0 10.00   4.16 149.00) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.74 +/- 1.05   0.028% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.14 +/- 1.18   0.121% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  16.64 +/- 2.25   0.001% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.80 +/- 1.33   0.004% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.24 +/- 1.91   0.002% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.38 +/- 1.07   0.000% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.03 +/- 1.39   0.004% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.36 +/- 1.41   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.74 +/- 1.78   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.22 +/- 1.35   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  30.18 +/- 1.78   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.45 +/- 1.88   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  23.35 +/- 2.31   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  24.54 +/- 1.11   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  16.53 +/- 1.20   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  27.56 +/- 1.63   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.11 +/- 1.02   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.4:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  79.203% * 99.3602% (0.80  10.0 10.00   1.93  25.39) =  99.992%  kept
          QG2   THR   39 - HA    ALA   34   3.85 +/- 1.33  20.732% *  0.0308% (0.25   1.0  1.00   0.02   6.64) =   0.008%
          HG3   LYS+  38 - HA    ALA   34   7.11 +/- 0.37   0.061% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  17.04 +/- 1.56   0.000% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.06 +/- 0.62   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  13.74 +/- 1.89   0.002% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.18 +/- 0.89   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.46 +/- 1.30   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  18.34 +/- 0.72   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  20.01 +/- 2.62   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  23.39 +/- 0.96   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  27.49 +/- 1.11   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.15 +/- 1.00   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.48 +/- 1.94   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.4:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  99.265% * 98.8230% (0.80  10.0 10.00   1.93  25.39) =  99.999%  kept
          HA1   GLY  101 - QB    ALA   34   6.01 +/- 1.33   0.526% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   6.88 +/- 0.25   0.090% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.67 +/- 0.02   0.105% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.46 +/- 0.23   0.013% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  17.04 +/- 1.56   0.000% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.25 +/- 0.52   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.88 +/- 0.79   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  17.43 +/- 0.66   0.000% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.71 +/- 0.66   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 55.5:
    * O T HB2   ASN   35 - HA    ASN   35   2.74 +/- 0.05  99.552% * 98.4270% (1.00  10.0 10.00   4.03  55.47) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40  10.19 +/- 0.65   0.041% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.70 +/- 0.33   0.010% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.66 +/- 0.71   0.117% *  0.0336% (0.34   1.0  1.00   0.02   1.43) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   9.50 +/- 2.28   0.163% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  10.16 +/- 1.57   0.053% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.92 +/- 0.43   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  16.96 +/- 1.90   0.002% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  11.18 +/- 1.48   0.032% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.03 +/- 1.60   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  18.51 +/- 1.28   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  13.07 +/- 1.28   0.011% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  17.61 +/- 0.94   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.74 +/- 0.72   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  16.08 +/- 1.21   0.003% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  21.99 +/- 1.35   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.77 +/- 1.42   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  15.22 +/- 0.88   0.004% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  22.16 +/- 1.26   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  23.24 +/- 1.17   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.04 +/- 1.13   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 86.8:
    * O T QB    GLU-  36 - HA    GLU-  36   2.44 +/- 0.17  99.965% * 98.9106% (1.00  10.0 10.00   5.58  86.78) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.52 +/- 0.69   0.006% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.21 +/- 1.07   0.025% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.39 +/- 0.65   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  25.61 +/- 0.92   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  32.20 +/- 0.97   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.67 +/- 0.82  99.997% * 99.8378% (1.00  10.0 10.00   3.62  86.78) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.89 +/- 0.98   0.002% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  22.19 +/- 1.35   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.88 +/- 0.77   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.32 +/- 0.28  99.985% * 99.2256% (1.00  10.0 10.00   3.62  86.78) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  17.74 +/- 3.27   0.012% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.87 +/- 0.74   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.71 +/- 0.79   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.45 +/- 1.34   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  33.91 +/- 1.15   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  35.86 +/- 1.14   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.67 +/- 0.82  99.998% * 99.7630% (1.00  10.0 10.00   3.62  86.78) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  25.86 +/- 2.74   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  27.33 +/- 0.99   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  23.89 +/- 1.90   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  33.82 +/- 2.08   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 86.8:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.48 +/- 0.11  99.972% * 98.9106% (1.00  10.0 10.00   4.29  86.78) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.44 +/- 0.99   0.012% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  13.36 +/- 0.90   0.004% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.85 +/- 1.31   0.011% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  25.08 +/- 1.45   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  32.38 +/- 1.32   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00 100.000% * 99.2256% (1.00  10.0 10.00   3.00  86.78) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  16.79 +/- 3.37   0.000% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  18.91 +/- 0.96   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  25.20 +/- 1.28   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  28.22 +/- 1.20   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  34.28 +/- 1.66   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  36.10 +/- 1.76   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.8:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.32 +/- 0.28  99.982% * 99.6097% (1.00  10.0 10.00   3.62  86.78) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  17.74 +/- 3.27   0.012% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  26.49 +/- 2.69   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  27.49 +/- 0.90   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  24.28 +/- 1.58   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.41 +/- 1.57   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  25.01 +/- 2.31   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  34.11 +/- 1.42   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  30.69 +/- 2.55   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.73 +/- 1.60   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 86.8:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.25 +/- 0.08  99.980% * 99.4418% (1.00  10.0  1.00   4.29  86.78) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  11.13 +/- 1.06   0.008% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  13.04 +/- 1.12   0.003% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.71 +/- 1.28   0.004% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.40 +/- 2.96   0.004% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  17.98 +/- 3.00   0.001% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  26.04 +/- 2.82   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  25.08 +/- 1.01   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  19.64 +/- 3.52   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  32.71 +/- 1.11   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  35.01 +/- 2.63   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  21.39 +/- 2.51   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.8:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00 100.000% * 99.6937% (1.00  10.0 10.00   3.00  86.78) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  16.79 +/- 3.37   0.000% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  21.41 +/- 0.99   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  22.91 +/- 1.47   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  27.64 +/- 1.42   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  23.75 +/- 1.55   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.31 +/- 1.58   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  30.04 +/- 2.60   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 337 (2.31, 2.31, 36.40 ppm):
    2 diagonal assignments:
    *     HG3   GLU-  36 - HG3   GLU-  36  (1.00)  kept
          QB    MET   11 - QB    MET   11  (0.05)  kept
 
    Peak 338 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    SER   37 - HA    SER   37  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.30)  kept
 
    Peak 339 (4.03, 4.42, 58.68 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.55, residual support = 26.3:
    * O T HB2   SER   37 - HA    SER   37   2.67 +/- 0.15  99.216% * 98.0025% (1.00  10.0 10.00   2.55  26.27) = 100.000%  kept
          HA    LYS+  33 - HA    SER   37   6.34 +/- 0.30   0.643% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  13.05 +/- 2.09   0.015% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13   9.76 +/- 0.92   0.057% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.01 +/- 0.56   0.040% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  15.06 +/- 2.67   0.007% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  13.02 +/- 1.18   0.010% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  15.93 +/- 1.45   0.003% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.94 +/- 0.53   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.23 +/- 2.30   0.007% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  18.93 +/- 0.65   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.57 +/- 0.42   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.94 +/- 1.08   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.43 +/- 0.65   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  26.59 +/- 1.34   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.551, support = 2.19, residual support = 15.5:
      O T QB    SER   13 - HA    SER   13   2.43 +/- 0.15  76.415% * 28.4793% (0.35  10.0 10.00   1.93   7.65) =  57.972%  kept
    * O T HB3   SER   37 - HA    SER   37   2.99 +/- 0.09  22.926% * 68.8149% (0.84  10.0 10.00   2.55  26.27) =  42.027%  kept
          HB    THR   39 - HA    SER   37   5.65 +/- 0.60   0.611% *  0.0566% (0.69   1.0  1.00   0.02   2.45) =   0.001%
        T HB3   SER   37 - HA    SER   13  13.39 +/- 2.19   0.006% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.22 +/- 0.96   0.032% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  14.56 +/- 2.03   0.003% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.24 +/- 1.07   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.32 +/- 1.67   0.004% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.06 +/- 1.34   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.32 +/- 0.49   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.84 +/- 0.59   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.95 +/- 0.83   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.53 +/- 0.76   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  28.32 +/- 0.82   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.47 +/- 1.14   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.46 +/- 1.02   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  31.02 +/- 1.29   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.42 +/- 2.19   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.55, residual support = 26.3:
    * O T HA    SER   37 - HB2   SER   37   2.67 +/- 0.15  99.782% * 98.1694% (1.00  10.0 10.00   2.55  26.27) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  13.05 +/- 2.09   0.015% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   8.18 +/- 0.41   0.142% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  10.86 +/- 1.84   0.048% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.26 +/- 0.43   0.007% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.23 +/- 1.74   0.004% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.94 +/- 0.53   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.39 +/- 1.17   0.000% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.3:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  95.729% * 98.8953% (0.84  10.0 10.00   2.00  26.27) =  99.996%  kept
          HB    THR   39 - HB2   SER   37   3.39 +/- 0.72   4.270% *  0.0813% (0.69   1.0  1.00   0.02   2.45) =   0.004%
        T QB    SER   13 - HB2   SER   37  12.99 +/- 1.77   0.001% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.59 +/- 0.65   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  26.69 +/- 0.82   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  24.42 +/- 0.87   0.000% *  0.0404% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.556, support = 2.19, residual support = 15.3:
      O T HA    SER   13 - QB    SER   13   2.43 +/- 0.15  76.607% * 29.4827% (0.36  10.0 10.00   1.93   7.65) =  59.094%  kept
    * O T HA    SER   37 - HB3   SER   37   2.99 +/- 0.09  22.974% * 68.0513% (0.84  10.0 10.00   2.55  26.27) =  40.906%  kept
          HA    GLU-  15 - QB    SER   13   6.80 +/- 0.80   0.303% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.39 +/- 2.19   0.006% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.12 +/- 0.37   0.058% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.56 +/- 2.03   0.003% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.04 +/- 1.37   0.026% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.01 +/- 1.84   0.016% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.85 +/- 0.45   0.004% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.28 +/- 1.67   0.002% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.06 +/- 1.34   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.32 +/- 0.49   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  17.94 +/- 1.10   0.001% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  16.82 +/- 1.22   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.36 +/- 1.72   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.34 +/- 1.06   0.000% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.3:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.743% * 98.1382% (0.84  10.0 10.00   2.00  26.27) = 100.000%  kept
        T HA    VAL   70 - HB3   SER   37   8.00 +/- 0.66   0.013% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   37   5.03 +/- 0.59   0.233% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.99 +/- 1.77   0.001% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.10 +/- 1.02   0.006% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  12.58 +/- 1.35   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  12.94 +/- 2.70   0.002% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.95 +/- 2.11   0.000% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  23.94 +/- 1.44   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  24.97 +/- 1.12   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 217.8:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.87 +/- 0.17  97.290% * 99.6880% (1.00  10.0 10.00   6.56 217.82) =  99.998%  kept
        T HB2   LYS+  38 - HA    GLU- 100   5.67 +/- 1.07   2.627% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    LYS+  38  11.49 +/- 0.79   0.027% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.36 +/- 0.53   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.51 +/- 0.46   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.41 +/- 1.71   0.004% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  11.21 +/- 0.79   0.031% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.85 +/- 0.35   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.23 +/- 0.85   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  15.65 +/- 0.76   0.004% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  29.29 +/- 0.94   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  17.12 +/- 1.57   0.003% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.19 +/- 0.83   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  27.23 +/- 0.96   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 217.8:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.67 +/- 0.15  91.596% * 98.2125% (1.00  10.0 10.00   5.87 217.82) =  99.995%  kept
        T HB3   LYS+  38 - HA    GLU- 100   4.51 +/- 1.09   8.139% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.005%
          QB    LYS+  33 - HA    LYS+  38   7.89 +/- 0.34   0.152% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.99 +/- 0.59   0.012% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  16.16 +/- 1.08   0.002% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.05 +/- 0.69   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100   9.71 +/- 0.61   0.044% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.71 +/- 0.62   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.39 +/- 1.06   0.012% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.42 +/- 0.95   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.71 +/- 1.07   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.81 +/- 0.31   0.022% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.19 +/- 0.68   0.004% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  14.03 +/- 0.97   0.005% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.95 +/- 0.85   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.42 +/- 0.73   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  26.94 +/- 0.71   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  28.83 +/- 0.97   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.41 +/- 0.88   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  29.01 +/- 1.19   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  16.56 +/- 1.39   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.09 +/- 0.87   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.25 +/- 1.02   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.55 +/- 0.98   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  26.85 +/- 1.43   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.62 +/- 1.13   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.88, residual support = 217.8:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.61 +/- 0.62  90.050% * 98.4430% (1.00  10.0 10.00   6.89 217.82) =  99.986%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.93 +/- 0.52   0.786% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.009%
        T HG2   LYS+  99 - HA    GLU- 100   4.76 +/- 0.31   5.656% *  0.0583% (0.06   1.0 10.00   0.02  39.77) =   0.004%
        T HG2   LYS+  38 - HA    GLU- 100   5.00 +/- 0.75   3.160% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    LYS+  38   9.90 +/- 0.27   0.055% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  11.15 +/- 1.41   0.077% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100   9.79 +/- 0.86   0.058% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.59 +/- 0.75   0.142% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.37 +/- 0.86   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  21.40 +/- 1.21   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  17.13 +/- 2.10   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.45 +/- 0.98   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.58 +/- 0.74   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.34 +/- 0.25   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.23 +/- 1.77   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  19.30 +/- 1.04   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  17.15 +/- 0.85   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  16.52 +/- 1.78   0.003% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.00 +/- 0.75   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.33 +/- 1.31   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.25 +/- 0.65   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.63 +/- 1.72   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 2 structures by 0.15 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.995, support = 6.58, residual support = 215.3:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.00 +/- 0.67  63.348% * 79.6213% (1.00  10.0 10.00   6.62 217.82) =  98.744%  kept
          QG2   THR   39 - HA    LYS+  38   5.48 +/- 0.58   2.329% * 17.3298% (0.90   1.0  1.00   4.85  22.87) =   0.790%  kept
          QB    ALA   34 - HA    LYS+  38   4.33 +/- 0.13   9.711% *  2.3796% (0.80   1.0  1.00   0.75   0.02) =   0.452%
        T HG3   LYS+  38 - HA    GLU- 100   4.98 +/- 1.64   8.678% *  0.0481% (0.06   1.0 10.00   0.02   0.02) =   0.008%
        T HG3   LYS+  99 - HA    LYS+  38   7.28 +/- 0.85   0.443% *  0.2988% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HA    GLU- 100   5.10 +/- 0.49   3.434% *  0.0181% (0.02   1.0 10.00   0.02  39.77) =   0.001%
          QB    ALA   34 - HA    GLU- 100   4.71 +/- 0.67  10.895% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100   6.51 +/- 0.78   0.982% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   9.57 +/- 1.11   0.099% *  0.0246% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  15.30 +/- 1.13   0.006% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  10.62 +/- 1.29   0.060% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  18.24 +/- 0.71   0.002% *  0.0357% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  20.90 +/- 0.99   0.001% *  0.0753% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  19.63 +/- 1.03   0.001% *  0.0272% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  24.80 +/- 1.16   0.000% *  0.0714% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  16.05 +/- 1.27   0.005% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  19.43 +/- 1.22   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  18.22 +/- 1.02   0.002% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  18.98 +/- 1.11   0.001% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.86 +/- 1.30   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.14 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 217.8:
    *   T QD    LYS+  38 - HA    LYS+  38   3.60 +/- 0.41  71.398% * 97.0123% (1.00 10.00   5.99 217.82) =  99.976%  kept
        T QD    LYS+  38 - HA    GLU- 100   4.41 +/- 0.81  27.537% *  0.0586% (0.06 10.00   0.02   0.02) =   0.023%
          QD    LYS+ 102 - HA    LYS+  38  10.48 +/- 1.27   0.158% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.73 +/- 0.75   0.867% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  19.76 +/- 1.46   0.003% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  20.32 +/- 0.86   0.003% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.37 +/- 1.11   0.003% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  18.82 +/- 1.34   0.004% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  18.93 +/- 1.23   0.004% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  19.81 +/- 1.37   0.003% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  21.28 +/- 1.71   0.002% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  30.15 +/- 1.19   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.59 +/- 1.35   0.004% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  16.57 +/- 1.33   0.009% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.06 +/- 1.11   0.000% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  19.84 +/- 1.42   0.003% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  28.18 +/- 0.57   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.60 +/- 1.28   0.000% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  24.97 +/- 0.78   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.93 +/- 0.66   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.19 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.56, residual support = 217.8:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.87 +/- 0.17  97.370% * 99.6785% (1.00  10.0 10.00   6.56 217.82) =  99.994%  kept
        T HA    GLU- 100 - HB2   LYS+  38   5.67 +/- 1.07   2.629% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL   24 - HB2   LYS+  38  20.34 +/- 0.76   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  23.20 +/- 1.09   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  29.81 +/- 0.83   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 217.8:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.993% * 98.9214% (1.00  10.0 10.00   5.31 217.82) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.98 +/- 0.41   0.006% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.24 +/- 0.64   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.20 +/- 1.37   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  16.31 +/- 0.90   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.84 +/- 0.67   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.51 +/- 1.09   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  31.73 +/- 1.24   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  29.04 +/- 0.69   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  26.84 +/- 0.85   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  29.01 +/- 1.06   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  31.38 +/- 0.93   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  34.06 +/- 0.88   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 217.8:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.65 +/- 0.21  99.848% * 98.5858% (1.00  10.0 10.00   5.95 217.82) =  99.999%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   8.17 +/- 0.57   0.130% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB2   LYS+  38  12.41 +/- 0.37   0.010% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.76 +/- 1.39   0.007% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  17.10 +/- 2.20   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  20.08 +/- 0.94   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  23.67 +/- 1.29   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.63 +/- 0.24   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.79 +/- 0.71   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  24.13 +/- 1.07   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.32 +/- 1.78   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 217.8:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.66 +/- 0.39  98.238% * 99.1122% (1.00  10.0 10.00   5.66 217.82) =  99.998%  kept
          QG2   THR   39 - HB2   LYS+  38   6.21 +/- 0.34   0.880% *  0.0889% (0.90   1.0  1.00   0.02  22.87) =   0.001%
        T HG3   LYS+  99 - HB2   LYS+  38   8.48 +/- 0.94   0.206% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.46 +/- 0.17   0.638% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  10.95 +/- 1.25   0.034% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  16.75 +/- 1.01   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.68 +/- 1.03   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  20.16 +/- 0.73   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  21.85 +/- 1.09   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  26.99 +/- 1.21   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 217.8:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.67 +/- 0.15  91.843% * 99.5407% (1.00  10.0 10.00   5.87 217.82) =  99.980%  kept
        T HA    GLU- 100 - HB3   LYS+  38   4.51 +/- 1.09   8.156% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.020%
          HA    VAL   24 - HB3   LYS+  38  20.29 +/- 0.86   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  28.90 +/- 0.82   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  22.72 +/- 1.06   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 217.8:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.998% * 99.2933% (1.00  10.0 10.00   5.31 217.82) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  11.82 +/- 0.99   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.89 +/- 0.58   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.98 +/- 0.56   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.25 +/- 1.77   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  31.21 +/- 0.94   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.39 +/- 0.35   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 217.8:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.98 +/- 0.07  98.742% * 98.5858% (1.00  10.0 10.00   5.63 217.82) =  99.988%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.52 +/- 0.59   1.197% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.012%
          HB2   LEU   31 - HB3   LYS+  38  12.50 +/- 0.33   0.019% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.67 +/- 1.31   0.032% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  16.11 +/- 2.16   0.006% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  19.09 +/- 0.95   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  22.86 +/- 1.28   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.83 +/- 0.27   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  22.24 +/- 0.67   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  23.81 +/- 1.07   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.91 +/- 1.83   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 217.8:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.71 +/- 0.15  97.929% * 98.2829% (1.00  10.0 10.00   5.40 217.82) =  99.997%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   6.83 +/- 0.93   0.575% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   LYS+  38   6.06 +/- 0.24   0.828% *  0.0881% (0.90   1.0  1.00   0.02  22.87) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.35 +/- 0.15   0.637% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB3   LYS+  38  11.03 +/- 1.26   0.028% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  21.81 +/- 1.06   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.84 +/- 1.02   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  20.32 +/- 0.69   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  21.43 +/- 1.10   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  26.14 +/- 1.25   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 217.8:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.15 +/- 0.14  99.990% * 98.0597% (1.00  10.0 10.00   4.63 217.82) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  10.85 +/- 1.69   0.009% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.19 +/- 1.54   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.17 +/- 1.10   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.62 +/- 1.47   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  20.61 +/- 1.83   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  22.64 +/- 0.95   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.74 +/- 1.23   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.27 +/- 1.02   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  29.57 +/- 0.58   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.88, residual support = 217.8:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.61 +/- 0.62  90.320% * 99.3217% (1.00  10.0 10.00   6.89 217.82) =  99.986%  kept
        T HA    GLU- 100 - HG2   LYS+  38   5.00 +/- 0.75   3.186% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.008%
        T HA    GLU- 100 - HG2   LYS+  99   4.76 +/- 0.31   5.699% *  0.0603% (0.06   1.0 10.00   0.02  39.77) =   0.004%
        T HA    LYS+  38 - HG2   LYS+  99   6.93 +/- 0.52   0.792% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HG2   LYS+  38  19.68 +/- 0.99   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  19.54 +/- 1.48   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  22.26 +/- 0.81   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  20.50 +/- 1.15   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  30.05 +/- 0.70   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.45 +/- 0.85   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 217.8:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.65 +/- 0.21  99.756% * 99.4277% (1.00  10.0 10.00   5.95 217.82) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   8.17 +/- 0.57   0.130% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.07 +/- 0.98   0.095% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.27 +/- 1.24   0.009% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.68 +/- 0.80   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.83 +/- 0.62   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  17.95 +/- 1.83   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  16.63 +/- 1.68   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.43 +/- 0.77   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.70 +/- 0.91   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  19.08 +/- 0.63   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.11 +/- 0.76   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  31.29 +/- 1.04   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  27.36 +/- 0.94   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 217.8:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.98 +/- 0.07  98.466% * 98.9095% (1.00  10.0 10.00   5.63 217.82) =  99.997%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.52 +/- 0.59   1.194% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HG2   LYS+  38   9.06 +/- 0.32   0.129% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.88 +/- 0.59   0.010% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.08 +/- 0.60   0.073% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.70 +/- 0.95   0.054% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.68 +/- 0.53   0.017% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.47 +/- 0.67   0.020% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.88 +/- 0.91   0.007% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.54 +/- 0.75   0.005% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.40 +/- 0.44   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.88 +/- 1.84   0.015% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  17.40 +/- 1.55   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.39 +/- 0.99   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.86 +/- 0.84   0.001% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.10 +/- 0.51   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  29.05 +/- 0.75   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.44 +/- 0.82   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.93 +/- 1.01   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.91 +/- 1.12   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.37 +/- 1.02   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.63 +/- 0.93   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  31.02 +/- 1.13   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  26.86 +/- 1.30   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  34.11 +/- 1.01   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.03 +/- 0.97   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.917, support = 6.45, residual support = 213.6:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.949% * 89.3422% (1.00  10.0 10.00   6.44 217.82) =  90.721%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.949% *  9.1383% (0.10  10.0 10.00   6.60 172.83) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.96 +/- 1.14   0.009% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   6.74 +/- 0.91   0.028% *  0.0801% (0.90   1.0  1.00   0.02  22.87) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.20 +/- 0.40   0.028% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.54 +/- 0.82   0.005% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   6.78 +/- 0.73   0.019% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   7.19 +/- 0.53   0.012% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.37 +/- 1.24   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.56 +/- 1.27   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  21.84 +/- 1.06   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  17.21 +/- 1.42   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  18.95 +/- 1.50   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  17.73 +/- 1.08   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.55 +/- 1.38   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  19.73 +/- 0.86   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.67 +/- 1.08   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  26.52 +/- 1.02   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.25 +/- 1.39   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  20.15 +/- 0.94   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 217.8:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.40 +/- 0.17  99.409% * 96.4250% (1.00  10.0 10.00   5.75 217.82) =  99.998%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.37 +/- 0.66   0.354% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  99   8.01 +/- 1.58   0.210% *  0.2104% (0.22   1.0 10.00   0.02   1.49) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  11.18 +/- 1.55   0.015% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.30 +/- 1.50   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  12.45 +/- 1.46   0.008% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.00 +/- 1.42   0.001% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.52 +/- 1.23   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.48 +/- 1.34   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  15.46 +/- 1.48   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.39 +/- 1.58   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  22.25 +/- 0.73   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  22.63 +/- 2.03   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.71 +/- 1.21   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  20.51 +/- 1.14   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.07 +/- 1.19   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.17 +/- 0.80   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.18 +/- 1.09   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  30.26 +/- 0.63   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.56 +/- 0.76   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 217.8:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.00 +/- 0.67  83.068% * 99.5416% (1.00  10.0 10.00   6.62 217.82) =  99.971%  kept
        T HA    GLU- 100 - HG3   LYS+  38   4.98 +/- 1.64   9.964% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.027%
        T HA    GLU- 100 - HG3   LYS+  99   5.10 +/- 0.49   6.150% *  0.0231% (0.02   1.0 10.00   0.02  39.77) =   0.002%
        T HA    LYS+  38 - HG3   LYS+  99   7.28 +/- 0.85   0.813% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  20.25 +/- 1.18   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.80 +/- 1.16   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  22.68 +/- 1.51   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  20.59 +/- 0.97   0.002% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  30.13 +/- 1.19   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  24.64 +/- 1.18   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.08 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 217.8:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.66 +/- 0.39  99.662% * 99.6340% (1.00  10.0 10.00   5.66 217.82) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.48 +/- 0.94   0.211% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.30 +/- 1.42   0.016% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.48 +/- 1.35   0.101% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.41 +/- 0.77   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.58 +/- 0.54   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.20 +/- 1.75   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.11 +/- 0.77   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.02 +/- 1.75   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  21.04 +/- 0.68   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.42 +/- 0.62   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  31.56 +/- 1.60   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.41 +/- 0.63   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  27.44 +/- 0.92   0.000% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 217.8:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.71 +/- 0.15  99.238% * 98.2474% (1.00  10.0 10.00   5.40 217.82) =  99.999%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   6.83 +/- 0.93   0.582% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38   9.70 +/- 0.29   0.050% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.49 +/- 0.72   0.004% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.55 +/- 1.07   0.038% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.01 +/- 0.55   0.044% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.46 +/- 1.50   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.63 +/- 0.65   0.011% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  29.09 +/- 1.36   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.38 +/- 1.27   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  12.85 +/- 0.84   0.010% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  17.24 +/- 1.68   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.18 +/- 1.63   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.25 +/- 0.71   0.004% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.97 +/- 0.90   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  14.21 +/- 2.47   0.009% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.53 +/- 1.08   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  29.49 +/- 1.24   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  31.04 +/- 1.50   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  31.26 +/- 1.55   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  24.14 +/- 1.38   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.37 +/- 0.97   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.75 +/- 0.77   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  34.28 +/- 1.31   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  26.90 +/- 1.17   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.20 +/- 1.04   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.45, residual support = 213.6:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.990% * 89.3736% (1.00  10.0 10.00   6.44 217.82) =  90.721%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.990% *  9.1415% (0.10  10.0 10.00   6.60 172.83) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.96 +/- 1.14   0.009% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.54 +/- 0.82   0.005% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.16 +/- 1.00   0.001% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.25 +/- 2.06   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.88 +/- 0.71   0.004% *  0.0014% (0.02   1.0  1.00   0.02  17.10) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.58 +/- 0.65   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  17.57 +/- 2.34   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.44 +/- 1.32   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.00 +/- 1.55   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  23.05 +/- 1.73   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  14.91 +/- 1.32   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.82 +/- 1.65   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.62 +/- 1.19   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.75 +/- 0.97   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.88 +/- 1.22   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.43 +/- 1.11   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.24 +/- 0.94   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.07 +/- 2.39   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.54 +/- 0.69   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.11 +/- 1.26   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 217.8:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.35 +/- 0.16  99.545% * 97.6899% (1.00  10.0 10.00   5.42 217.82) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.55 +/- 0.75   0.310% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   7.97 +/- 1.32   0.116% *  0.0816% (0.08   1.0 10.00   0.02   1.49) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  11.01 +/- 1.86   0.016% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.38 +/- 1.42   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  12.39 +/- 1.52   0.008% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.32 +/- 1.67   0.001% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  22.88 +/- 1.40   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.10 +/- 1.52   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.77 +/- 1.61   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  22.71 +/- 1.22   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  22.30 +/- 2.03   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  15.50 +/- 1.32   0.001% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.96 +/- 1.74   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.63 +/- 1.25   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  20.66 +/- 0.93   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.26 +/- 1.68   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.22 +/- 0.95   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  30.38 +/- 1.33   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.57 +/- 0.69   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.99, residual support = 217.6:
    *   T HA    LYS+  38 - QD    LYS+  38   3.60 +/- 0.41  71.873% * 98.6212% (1.00 10.00   5.99 217.82) =  99.914%  kept
        T HA    GLU- 100 - QD    LYS+  38   4.41 +/- 0.81  27.753% *  0.2196% (0.22 10.00   0.02   0.02) =   0.086%
        T HD2   PRO   58 - QD    LYS+  65  11.08 +/- 1.07   0.123% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  12.22 +/- 1.33   0.058% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  10.96 +/- 0.83   0.116% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  13.56 +/- 0.79   0.030% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.37 +/- 1.11   0.003% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  19.76 +/- 1.46   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  20.81 +/- 0.77   0.002% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  19.04 +/- 0.97   0.004% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  19.59 +/- 1.35   0.004% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  19.81 +/- 1.37   0.003% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.12 +/- 0.77   0.000% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  22.98 +/- 1.22   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  19.99 +/- 1.77   0.003% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.27 +/- 1.49   0.022% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.15 +/- 1.19   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.60 +/- 1.28   0.000% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.91 +/- 1.20   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.55 +/- 1.48   0.001% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 217.8:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.84 +/- 0.33  89.397% * 99.6020% (1.00  10.0   4.94 217.82) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   5.75 +/- 2.00  10.396% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  12.07 +/- 1.10   0.024% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  10.65 +/- 1.37   0.061% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.15 +/- 1.42   0.080% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.76 +/- 0.61   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  16.15 +/- 0.54   0.004% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  16.97 +/- 1.55   0.003% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  15.73 +/- 1.75   0.005% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  14.48 +/- 0.96   0.006% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.56 +/- 0.88   0.003% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.87 +/- 0.91   0.009% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.10 +/- 0.86   0.004% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.96 +/- 0.62   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.62 +/- 1.71   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.63 +/- 1.06   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  18.54 +/- 2.02   0.002% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  22.24 +/- 2.18   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  28.51 +/- 1.02   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  20.89 +/- 2.32   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  22.06 +/- 2.07   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  24.59 +/- 1.32   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.96 +/- 1.39   0.000% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.34 +/- 1.55   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.17 +/- 1.21   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.92 +/- 1.30   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.36 +/- 1.29   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  33.47 +/- 1.45   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 217.8:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.15 +/- 0.14  99.841% * 98.4611% (1.00  10.0 10.00   4.63 217.82) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.89 +/- 0.36   0.012% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   8.75 +/- 1.21   0.039% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.32 +/- 0.98   0.006% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.01 +/- 1.60   0.041% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  14.09 +/- 0.65   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111   9.80 +/- 1.70   0.017% *  0.0072% (0.07   1.0  1.00   0.02   2.22) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.67 +/- 0.65   0.004% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  15.08 +/- 0.79   0.001% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.50 +/- 1.11   0.003% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  11.10 +/- 1.69   0.009% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.32 +/- 0.89   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.37 +/- 1.50   0.003% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.19 +/- 0.56   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.14 +/- 1.30   0.002% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.19 +/- 1.54   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  14.26 +/- 0.92   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.67 +/- 0.95   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.54 +/- 0.85   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  15.46 +/- 1.41   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.17 +/- 1.10   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  15.04 +/- 1.34   0.001% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  13.48 +/- 1.51   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  17.00 +/- 1.79   0.001% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  15.88 +/- 1.58   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.69 +/- 0.84   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.26 +/- 2.04   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.68 +/- 1.47   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.06 +/- 1.68   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  16.20 +/- 1.71   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.06 +/- 0.78   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.42 +/- 1.30   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.31 +/- 0.62   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.91 +/- 1.03   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.53 +/- 0.81   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  17.56 +/- 2.12   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  27.81 +/- 1.09   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  21.20 +/- 1.04   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.48 +/- 1.92   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  16.11 +/- 1.48   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  18.60 +/- 1.45   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  28.20 +/- 1.08   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.74 +/- 1.23   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  22.67 +/- 1.12   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  21.52 +/- 0.81   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  24.50 +/- 1.18   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.66 +/- 1.23   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  30.96 +/- 0.89   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  23.14 +/- 1.77   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  28.09 +/- 1.40   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  26.09 +/- 1.78   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.85 +/- 1.08   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.981, support = 5.76, residual support = 219.8:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.40 +/- 0.17  70.698% * 91.2181% (1.00  10.0 10.00   5.75 217.82) =  97.997%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.91 +/- 0.12  23.933% *  5.4974% (0.06  10.0 10.00   6.21 315.24) =   1.999%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.37 +/- 0.66   0.248% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HD2   LYS+  74   4.83 +/- 1.33   4.906% *  0.0068% (0.07   1.0  1.00   0.02   6.01) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   7.45 +/- 0.94   0.102% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.35 +/- 0.53   0.045% *  0.0075% (0.08   1.0  1.00   0.02   1.47) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.85 +/- 0.71   0.005% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  10.12 +/- 0.94   0.016% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  10.54 +/- 0.91   0.012% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.90 +/- 1.05   0.008% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.00 +/- 1.42   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.48 +/- 1.34   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  19.72 +/- 1.16   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.10 +/- 2.08   0.002% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.73 +/- 0.89   0.006% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.86 +/- 1.78   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.30 +/- 1.50   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.37 +/- 1.43   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  14.84 +/- 0.95   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.20 +/- 1.36   0.006% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.52 +/- 1.23   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.41 +/- 0.61   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.38 +/- 0.88   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.65 +/- 1.08   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.96 +/- 1.67   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.63 +/- 0.72   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.03 +/- 1.50   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.84 +/- 0.54   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 0.88   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.09 +/- 0.86   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.71 +/- 1.21   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.37 +/- 1.22   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.14 +/- 1.52   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.40 +/- 1.63   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.35 +/- 0.72   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.36 +/- 1.28   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  20.95 +/- 1.26   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.03 +/- 1.09   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.22 +/- 1.34   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.07 +/- 1.19   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.72 +/- 0.92   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.32 +/- 1.55   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.55 +/- 1.34   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.78 +/- 1.38   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.97, support = 5.43, residual support = 216.8:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.16  68.762% * 91.1914% (1.00  10.0 10.00   5.42 217.82) =  96.781%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.75 +/- 0.25  30.564% *  6.8213% (0.07  10.0 10.00   5.54 187.75) =   3.218%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.55 +/- 0.75   0.213% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  38   6.80 +/- 0.45   0.138% *  0.0818% (0.90   1.0  1.00   0.02  22.87) =   0.000%
          QB    ALA   34 - QD    LYS+  38   6.73 +/- 0.45   0.150% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.78 +/- 1.28   0.034% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  11.95 +/- 2.29   0.009% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.28 +/- 2.43   0.025% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.72 +/- 1.13   0.020% *  0.0113% (0.12   1.0  1.00   0.02   8.15) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.50 +/- 1.13   0.007% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.23 +/- 0.94   0.023% *  0.0065% (0.07   1.0  1.00   0.02   2.22) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.15 +/- 1.16   0.015% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.02 +/- 0.74   0.008% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.00 +/- 1.42   0.005% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  11.38 +/- 1.93   0.011% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.55 +/- 1.15   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.94 +/- 0.79   0.003% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.55 +/- 0.95   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.80 +/- 1.05   0.002% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.74 +/- 1.15   0.001% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.32 +/- 1.67   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.38 +/- 1.42   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.88 +/- 2.01   0.004% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.45 +/- 1.42   0.002% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.22 +/- 1.68   0.003% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.88 +/- 1.40   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.77 +/- 1.61   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.41 +/- 1.11   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.01 +/- 0.81   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.91 +/- 1.05   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  17.55 +/- 1.67   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  19.52 +/- 0.95   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.08 +/- 1.49   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.63 +/- 1.25   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.96 +/- 1.74   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.36 +/- 1.02   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  23.16 +/- 0.97   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.18 +/- 1.37   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.17 +/- 1.51   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  27.69 +/- 1.45   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.4:
    * O T HB    THR   39 - HA    THR   39   2.90 +/- 0.22  96.186% * 98.6574% (1.00  10.0 10.00   3.00  38.37) =  99.996%  kept
          HB3   SER   37 - HA    THR   39   5.10 +/- 0.40   3.731% *  0.0952% (0.97   1.0  1.00   0.02   2.45) =   0.004%
        T HB    THR   39 - HA    ILE  103  13.15 +/- 0.82   0.014% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  14.65 +/- 1.45   0.008% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.74 +/- 0.64   0.024% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.24 +/- 0.71   0.019% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  15.49 +/- 1.31   0.005% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  15.36 +/- 0.77   0.005% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.63 +/- 0.78   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  18.49 +/- 2.04   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.20 +/- 1.01   0.004% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.62 +/- 0.91   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  24.40 +/- 0.68   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  24.03 +/- 1.18   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  31.10 +/- 0.57   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.12 +/- 1.45   0.000% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.4:
    * O T QG2   THR   39 - HA    THR   39   2.47 +/- 0.49  94.548% * 97.0314% (0.87  10.0 10.00   3.00  38.37) =  99.996%  kept
          QB    ALA   34 - HA    THR   39   5.04 +/- 0.29   2.463% *  0.0934% (0.84   1.0  1.00   0.02   6.64) =   0.003%
          HG3   LYS+  38 - HA    THR   39   6.24 +/- 0.99   0.885% *  0.1116% (1.00   1.0  1.00   0.02  22.87) =   0.001%
          HG3   LYS+  99 - HA    THR   39   6.54 +/- 1.25   1.178% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    THR   39   7.16 +/- 1.40   0.628% *  0.0311% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.03 +/- 0.73   0.027% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.75 +/- 0.58   0.175% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.18 +/- 0.61   0.060% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  16.67 +/- 1.65   0.002% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  18.50 +/- 0.68   0.001% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.80 +/- 1.04   0.009% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.59 +/- 1.35   0.009% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  18.00 +/- 1.37   0.001% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  24.20 +/- 1.11   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  14.54 +/- 1.44   0.004% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  18.80 +/- 0.98   0.001% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  17.74 +/- 1.24   0.001% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.53 +/- 1.20   0.004% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.92 +/- 1.50   0.001% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  16.67 +/- 1.37   0.002% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.4:
    * O T HA    THR   39 - HB    THR   39   2.90 +/- 0.22  99.976% * 98.7925% (1.00  10.0 10.00   3.00  38.37) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  13.15 +/- 0.82   0.014% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.74 +/- 0.81   0.005% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  17.28 +/- 2.65   0.004% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.81 +/- 0.84   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.73 +/- 1.05   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.79 +/- 1.10   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  25.48 +/- 1.04   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  31.16 +/- 0.75   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.866, support = 2.98, residual support = 37.1:
    * O T QG2   THR   39 - HB    THR   39   2.15 +/- 0.01  92.880% * 50.3520% (0.87  10.0 10.00   3.00  38.37) =  95.913%  kept
        T QB    ALA   34 - HB    THR   39   3.90 +/- 0.59   4.109% * 48.4853% (0.84   1.0 10.00   2.56   6.64) =   4.086%  kept
          HG    LEU   71 - HB    THR   39   4.84 +/- 1.44   2.905% *  0.0161% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB    THR   39   8.74 +/- 1.20   0.030% *  0.1980% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.57 +/- 0.70   0.065% *  0.0579% (1.00   1.0  1.00   0.02  22.87) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.57 +/- 1.18   0.009% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  16.61 +/- 0.75   0.000% *  0.2825% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  23.79 +/- 1.11   0.000% *  0.5035% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.47 +/- 0.96   0.000% *  0.0560% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.11 +/- 1.37   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.4:
    * O T HA    THR   39 - QG2   THR   39   2.47 +/- 0.49  98.517% * 96.3159% (0.87  10.0 10.00   3.00  38.37) =  99.999%  kept
          HA    GLU-  79 - QG2   THR   23   6.12 +/- 1.06   0.785% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  11.03 +/- 0.73   0.030% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  10.96 +/- 1.01   0.022% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   91   7.46 +/- 0.71   0.254% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91   9.22 +/- 1.78   0.127% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.46 +/- 1.16   0.173% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  16.67 +/- 1.65   0.002% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91  11.26 +/- 0.90   0.027% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  18.50 +/- 0.68   0.001% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.85 +/- 0.50   0.011% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  18.00 +/- 1.37   0.001% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  14.09 +/- 2.08   0.010% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  12.46 +/- 0.81   0.010% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  13.72 +/- 0.72   0.006% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  12.96 +/- 0.98   0.009% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  13.43 +/- 0.51   0.007% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  17.61 +/- 0.76   0.002% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  24.20 +/- 1.11   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  16.85 +/- 1.47   0.002% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.85 +/- 1.12   0.001% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  21.11 +/- 3.19   0.001% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.70 +/- 0.76   0.001% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.67 +/- 1.28   0.001% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  21.51 +/- 1.09   0.001% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.57 +/- 0.57   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  33.25 +/- 1.81   0.000% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.4:
    * O T HB    THR   39 - QG2   THR   39   2.15 +/- 0.01  89.410% * 97.9974% (0.87  10.0 10.00   3.00  38.37) =  99.989%  kept
          HB3   SER   37 - QG2   THR   39   3.84 +/- 0.87   9.275% *  0.0946% (0.84   1.0  1.00   0.02   2.45) =   0.010%
          HA    ILE   89 - QB    ALA   91   4.84 +/- 0.69   1.026% *  0.0447% (0.40   1.0  1.00   0.02   7.79) =   0.001%
          HD3   PRO   52 - QB    ALA   91   7.56 +/- 1.70   0.169% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   8.26 +/- 0.91   0.037% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.39 +/- 1.42   0.055% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  10.53 +/- 1.19   0.009% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  16.61 +/- 0.75   0.000% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23   9.76 +/- 0.66   0.011% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  14.04 +/- 1.93   0.002% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  14.56 +/- 0.92   0.001% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.73 +/- 0.74   0.001% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.56 +/- 0.62   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  23.79 +/- 1.11   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.21 +/- 1.85   0.000% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.76 +/- 0.82   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  19.34 +/- 1.68   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  19.87 +/- 0.82   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  21.46 +/- 1.10   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  19.27 +/- 1.25   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  25.71 +/- 1.07   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  26.19 +/- 1.35   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  24.92 +/- 0.63   0.000% *  0.0302% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.94 +/- 0.76   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 101.9:
    * O T HB2   LEU   40 - HA    LEU   40   2.77 +/- 0.25  93.362% * 97.9662% (1.00  10.0 10.00   5.11 101.91) =  99.996%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.69 +/- 0.54   6.086% *  0.0386% (0.39   1.0  1.00   0.02   1.17) =   0.003%
        T HB2   LEU   67 - HA    GLU-  15   8.55 +/- 1.41   0.258% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  11.81 +/- 1.46   0.029% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35  10.22 +/- 0.32   0.040% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40   9.54 +/- 1.33   0.084% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   8.99 +/- 0.29   0.090% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.82 +/- 0.69   0.019% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.77 +/- 1.72   0.010% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.69 +/- 1.22   0.005% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  16.08 +/- 1.68   0.003% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.33 +/- 1.28   0.003% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.25 +/- 0.95   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  16.15 +/- 0.90   0.003% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.47 +/- 2.30   0.003% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.08 +/- 2.99   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  19.41 +/- 1.03   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  25.06 +/- 1.09   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  22.55 +/- 3.68   0.001% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  27.08 +/- 0.55   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  32.93 +/- 0.63   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.887, support = 5.29, residual support = 101.9:
    * O T HB3   LEU   40 - HA    LEU   40   2.64 +/- 0.33  62.702% * 70.6117% (1.00  10.0 10.00   5.31 101.91) =  81.861%  kept
      O T HG    LEU   40 - HA    LEU   40   2.93 +/- 0.39  37.018% * 26.5014% (0.38  10.0 10.00   5.20 101.91) =  18.139%  kept
        T HB3   LEU   40 - HA    GLU-  15  12.08 +/- 1.57   0.011% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35  10.20 +/- 0.45   0.019% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15   9.94 +/- 2.37   0.109% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.66 +/- 0.53   0.014% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40   9.67 +/- 1.21   0.033% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  10.05 +/- 1.52   0.031% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.33 +/- 1.09   0.024% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  18.83 +/- 1.33   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.65 +/- 1.07   0.007% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  17.90 +/- 1.03   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.55 +/- 1.05   0.003% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  12.90 +/- 1.34   0.005% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.15 +/- 0.35   0.004% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.46 +/- 2.26   0.006% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  20.84 +/- 0.89   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  16.01 +/- 0.94   0.001% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.49 +/- 0.23   0.006% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.23 +/- 0.84   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.14 +/- 0.86   0.001% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  26.16 +/- 1.17   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  21.06 +/- 1.49   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.68 +/- 1.10   0.001% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  24.99 +/- 0.85   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  21.08 +/- 1.00   0.000% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  19.22 +/- 0.82   0.000% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  20.93 +/- 2.12   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  20.87 +/- 2.23   0.000% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.28 +/- 1.45   0.000% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 101.9:
    * O T HA    LEU   40 - HB2   LEU   40   2.77 +/- 0.25  88.234% * 98.0349% (1.00  10.0 10.00   5.11 101.91) =  99.996%  kept
          HA    LYS+  99 - HB2   LEU   40   4.29 +/- 0.68  10.348% *  0.0244% (0.25   1.0  1.00   0.02  13.07) =   0.003%
        T HA    GLU-  15 - HB2   LEU   40  11.81 +/- 1.46   0.028% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   8.55 +/- 1.41   0.261% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   40  10.22 +/- 0.32   0.039% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67   9.54 +/- 1.33   0.081% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   6.85 +/- 1.08   0.777% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  11.83 +/- 1.93   0.024% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.54 +/- 0.22   0.033% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  12.84 +/- 1.61   0.020% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67   9.63 +/- 1.51   0.082% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  16.64 +/- 1.56   0.003% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  18.73 +/- 1.01   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.83 +/- 0.73   0.011% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.33 +/- 1.28   0.003% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  11.01 +/- 1.60   0.036% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  14.02 +/- 1.10   0.007% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.04 +/- 0.63   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  20.11 +/- 1.10   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.68 +/- 1.31   0.004% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.39 +/- 1.18   0.004% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.18 +/- 1.00   0.002% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.974, support = 4.18, residual support = 101.5:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  83.681% * 69.9238% (1.00  10.0 10.00   4.18 101.91) =  96.122%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.66 +/- 0.25   8.012% * 26.2432% (0.38  10.0  1.00   4.73 101.91) =   3.454%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.65 +/- 0.25   8.217% *  3.1374% (0.04  10.0  1.00   5.08  57.59) =   0.424%
        T HB3   LEU   40 - HB2   LEU   67   7.68 +/- 1.55   0.022% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   7.60 +/- 1.33   0.026% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   7.98 +/- 1.78   0.020% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.10 +/- 1.05   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  17.02 +/- 1.19   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.25 +/- 1.85   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.74 +/- 0.73   0.015% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  12.45 +/- 2.35   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.19 +/- 1.62   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.43 +/- 1.25   0.001% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.03 +/- 0.70   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.67 +/- 1.45   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.20 +/- 1.25   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  14.42 +/- 1.17   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  13.47 +/- 1.49   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  12.99 +/- 2.59   0.001% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.01 +/- 0.58   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 101.9:
    * O T HA    LEU   40 - HB3   LEU   40   2.64 +/- 0.33  84.326% * 97.9684% (1.00  10.0 10.00   5.31 101.91) =  99.996%  kept
          HA    LYS+  99 - HB3   LEU   40   3.99 +/- 1.05  12.306% *  0.0244% (0.25   1.0  1.00   0.02  13.07) =   0.004%
        T HA    GLU-  15 - HB3   LEU   40  12.08 +/- 1.57   0.022% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   5.82 +/- 1.71   3.144% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40  10.20 +/- 0.45   0.029% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  11.95 +/- 2.02   0.040% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.75 +/- 0.24   0.023% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.58 +/- 1.26   0.062% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.03 +/- 1.60   0.012% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  16.97 +/- 1.46   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  17.90 +/- 1.03   0.001% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.77 +/- 1.20   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.31 +/- 1.16   0.019% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  20.84 +/- 0.89   0.000% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.37 +/- 0.84   0.007% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.94 +/- 0.63   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.06 +/- 1.24   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  16.49 +/- 1.23   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  24.99 +/- 0.85   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  17.71 +/- 0.94   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  26.79 +/- 1.23   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.89 +/- 1.02   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 101.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.968% * 99.4293% (1.00  10.0 10.00   4.18 101.91) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   7.68 +/- 1.55   0.028% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.57 +/- 0.61   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.03 +/- 1.39   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  17.02 +/- 1.19   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  15.70 +/- 1.81   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.95 +/- 0.95   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.19 +/- 1.62   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.61 +/- 1.14   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.66 +/- 1.47   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  22.81 +/- 3.04   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  26.34 +/- 0.90   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.69 +/- 1.13   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  33.67 +/- 2.28   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 73.8:
    * O T HB    VAL   41 - HA    VAL   41   2.79 +/- 0.29  99.613% * 99.0830% (0.69  10.0 10.00   4.00  73.84) = 100.000%  kept
          HG12  ILE  103 - HA    VAL   41   9.36 +/- 1.57   0.102% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    VAL   41   8.28 +/- 0.44   0.169% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  11.39 +/- 1.00   0.030% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.66 +/- 0.76   0.023% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  12.05 +/- 1.04   0.020% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  13.02 +/- 0.89   0.013% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.55 +/- 0.60   0.023% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  16.98 +/- 1.67   0.003% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  23.90 +/- 0.70   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  19.49 +/- 1.01   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.27 +/- 0.69   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  23.59 +/- 0.87   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  22.34 +/- 0.83   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.10 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 73.8:
    * O T QG1   VAL   41 - HA    VAL   41   2.58 +/- 0.36  88.489% * 98.7361% (1.00  10.0 10.00   4.18  73.84) =  99.992%  kept
          QD2   LEU   73 - HA    VAL   41   4.20 +/- 0.55   8.326% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    VAL   41   4.90 +/- 0.33   2.479% *  0.0934% (0.95   1.0  1.00   0.02   1.68) =   0.003%
        T QG2   VAL   18 - HA    VAL   41   9.53 +/- 0.57   0.046% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.48 +/- 1.05   0.100% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   41   7.57 +/- 1.11   0.273% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   7.75 +/- 1.09   0.278% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.16 +/- 0.83   0.007% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  16.09 +/- 0.77   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 73.8:
    * O T QG2   VAL   41 - HA    VAL   41   2.52 +/- 0.31  96.359% * 99.7508% (1.00  10.0 10.00   3.96  73.84) =  99.996%  kept
          QD2   LEU   98 - HA    VAL   41   4.93 +/- 0.83   3.505% *  0.0944% (0.95   1.0  1.00   0.02  24.13) =   0.003%
          QD2   LEU   63 - HA    VAL   41   8.63 +/- 1.19   0.129% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  12.87 +/- 1.26   0.008% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 73.8:
    * O T HA    VAL   41 - HB    VAL   41   2.79 +/- 0.29  99.977% * 99.8595% (0.69  10.0 10.00   4.00  73.84) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  13.80 +/- 1.49   0.012% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  13.17 +/- 0.71   0.011% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 3.89, residual support = 73.8:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  96.039% * 98.7361% (0.69  10.0 10.00   3.89  73.84) =  99.997%  kept
          QG1   VAL   43 - HB    VAL   41   4.27 +/- 0.66   2.339% *  0.0934% (0.65   1.0  1.00   0.02   1.68) =   0.002%
          QD2   LEU   73 - HB    VAL   41   5.16 +/- 0.92   1.189% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   41   6.08 +/- 0.93   0.309% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   7.76 +/- 1.29   0.088% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  11.16 +/- 0.84   0.005% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   9.14 +/- 1.47   0.028% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.68 +/- 1.08   0.002% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  16.87 +/- 0.86   0.000% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.93, residual support = 73.3:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  84.639% * 94.1739% (0.69  10.0 10.00   3.96  73.84) =  98.918%  kept
          QD2   LEU   98 - HB    VAL   41   3.33 +/- 0.88  15.348% *  5.6799% (0.65   1.0  1.00   1.28  24.13) =   1.082%  kept
          QD2   LEU   63 - HB    VAL   41   9.97 +/- 1.17   0.011% *  0.0571% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  12.47 +/- 1.34   0.003% *  0.0891% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 73.8:
    * O T HA    VAL   41 - QG2   VAL   41   2.52 +/- 0.31  99.961% * 99.8595% (1.00  10.0 10.00   3.96  73.84) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41  10.19 +/- 0.79   0.027% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  12.23 +/- 0.97   0.012% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.96, residual support = 73.8:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  99.653% * 99.0830% (0.69  10.0 10.00   3.96  73.84) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   6.73 +/- 1.62   0.158% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.66 +/- 0.59   0.129% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.75 +/- 1.13   0.026% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.56 +/- 0.96   0.008% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.17 +/- 0.62   0.017% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  11.26 +/- 0.77   0.005% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  13.17 +/- 0.79   0.002% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  15.92 +/- 1.30   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.54 +/- 0.78   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.78 +/- 0.87   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  16.18 +/- 1.07   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  17.35 +/- 1.07   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.96 +/- 0.82   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 3.86, residual support = 72.6:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.04  70.867% * 91.1604% (1.00  10.0 10.00   3.90  73.84) =  98.241%  kept
          QG1   VAL   43 - QG2   VAL   41   2.92 +/- 0.65  14.819% *  7.7590% (0.95   1.0  1.00   1.80   1.68) =   1.749%  kept
          QD2   LEU   73 - QG2   VAL   41   3.50 +/- 0.95   9.278% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.006%
          HG    LEU   31 - QG2   VAL   41   4.16 +/- 1.13   4.864% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.004%
        T QD2   LEU  104 - QG2   VAL   41   7.18 +/- 1.05   0.077% *  0.1804% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QG2   VAL   41   8.80 +/- 0.92   0.014% *  0.6967% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   7.05 +/- 1.13   0.077% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.72 +/- 0.73   0.004% *  0.0590% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.95 +/- 0.84   0.001% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.15, residual support = 87.8:
    * O T HB    VAL   42 - HA    VAL   42   2.98 +/- 0.03  89.953% * 90.6386% (0.87  10.0 10.00   4.17  88.48) =  99.193%  kept
          QB    LEU   98 - HA    VAL   42   4.66 +/- 0.61   8.887% *  7.4512% (0.76   1.0  1.00   1.87   0.80) =   0.806%  kept
        T HB2   LYS+ 112 - HA    PHE   55   7.75 +/- 0.87   0.377% *  0.1689% (0.16   1.0 10.00   0.02   2.88) =   0.001%
          HB3   LEU   73 - HA    VAL   42   7.48 +/- 0.84   0.489% *  0.0837% (0.80   1.0  1.00   0.02   1.36) =   0.000%
          HG3   LYS+ 106 - HA    VAL   42   8.80 +/- 0.74   0.163% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.12 +/- 0.53   0.034% *  0.0509% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.37 +/- 0.79   0.019% *  0.0799% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  12.00 +/- 1.71   0.032% *  0.0468% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  13.04 +/- 0.43   0.013% *  0.0965% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.15 +/- 0.81   0.001% *  0.7178% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  14.21 +/- 0.55   0.008% *  0.0906% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  18.84 +/- 0.69   0.001% *  0.2133% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  14.50 +/- 1.01   0.007% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  18.13 +/- 1.45   0.002% *  0.1008% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.81 +/- 1.18   0.005% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  18.16 +/- 0.90   0.002% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.53 +/- 0.83   0.001% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  21.04 +/- 0.87   0.001% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  19.60 +/- 1.53   0.001% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.55 +/- 0.75   0.001% *  0.0188% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  22.23 +/- 1.51   0.001% *  0.0076% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  27.22 +/- 1.54   0.000% *  0.0237% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  30.16 +/- 0.97   0.000% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.75 +/- 1.32   0.000% *  0.0188% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.5:
    * O T QG1   VAL   42 - HA    VAL   42   2.61 +/- 0.15  99.243% * 98.1799% (0.97  10.0 10.00   4.00  88.48) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   7.45 +/- 0.44   0.196% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55   9.47 +/- 0.58   0.050% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   6.99 +/- 1.23   0.497% *  0.0164% (0.16   1.0  1.00   0.02   2.88) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.75 +/- 0.19   0.003% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  13.95 +/- 0.51   0.005% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  13.50 +/- 0.92   0.006% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.45 +/- 1.24   0.001% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.5:
    * O T QG2   VAL   42 - HA    VAL   42   2.16 +/- 0.15  99.945% * 99.6660% (0.80  10.0 10.00   4.00  88.48) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   7.73 +/- 0.48   0.054% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  15.75 +/- 0.58   0.001% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  15.96 +/- 1.12   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.17, residual support = 88.5:
    * O T HA    VAL   42 - HB    VAL   42   2.98 +/- 0.03  98.740% * 97.9628% (0.87  10.0 10.00   4.17  88.48) =  99.998%  kept
        T HA    PHE   55 - HB2   LYS+ 112   7.75 +/- 0.87   0.413% *  0.3914% (0.35   1.0 10.00   0.02   2.88) =   0.002%
          HA    ALA  110 - HB2   LYS+ 112   7.15 +/- 0.87   0.680% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42   9.33 +/- 0.86   0.128% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.15 +/- 0.81   0.001% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  18.84 +/- 0.69   0.002% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.58 +/- 0.31   0.011% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.72 +/- 0.37   0.007% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.98 +/- 1.55   0.009% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  16.13 +/- 1.53   0.004% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  19.00 +/- 0.77   0.002% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.60 +/- 1.94   0.002% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  21.39 +/- 1.71   0.001% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  33.20 +/- 1.00   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (1.39, 1.39, 32.90 ppm):
    2 diagonal assignments:
    *     HB    VAL   42 - HB    VAL   42  (0.75)  kept
          HB2   LYS+ 112 - HB2   LYS+ 112  (0.42)  kept
 
    Peak 419 (0.37, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.8, support = 4.4, residual support = 101.4:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  83.153% * 65.1690% (0.84  10.0 10.00   4.17  88.48) =  91.003%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.81 +/- 0.17  16.366% * 32.7352% (0.42  10.0 10.00   6.74 231.58) =   8.997%  kept
          QB    ALA   64 - HB    VAL   42   5.18 +/- 0.54   0.475% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.10 +/- 1.61   0.003% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.14 +/- 0.80   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.10 +/- 0.26   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.24 +/- 1.36   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  15.16 +/- 0.77   0.001% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.09, residual support = 88.5:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  99.974% * 99.1635% (0.69  10.0 10.00   4.09  88.48) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.49 +/- 0.43   0.025% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.18 +/- 0.83   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  17.84 +/- 1.12   0.000% *  0.0565% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.17, residual support = 88.5:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  99.450% * 96.3200% (0.84  10.0 10.00   4.17  88.48) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   6.38 +/- 0.81   0.213% *  0.0889% (0.77   1.0  1.00   0.02   1.36) =   0.000%
          QB    LEU   98 - QG1   VAL   42   6.25 +/- 0.58   0.204% *  0.0849% (0.74   1.0  1.00   0.02   0.80) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  13.10 +/- 1.61   0.004% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   8.23 +/- 0.74   0.038% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.09 +/- 0.66   0.038% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.48 +/- 0.51   0.013% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  14.14 +/- 0.80   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42   9.95 +/- 1.36   0.015% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.10 +/- 0.26   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.11 +/- 0.44   0.003% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  11.30 +/- 0.48   0.005% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  12.71 +/- 0.68   0.002% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.96 +/- 0.93   0.006% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  14.78 +/- 1.15   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.72 +/- 0.46   0.001% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.23 +/- 0.88   0.003% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  14.87 +/- 0.70   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.74 +/- 0.39   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  16.65 +/- 1.24   0.000% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  18.79 +/- 1.10   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.24 +/- 1.15   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  22.28 +/- 0.97   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.68 +/- 1.28   0.000% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.5:
    * O T QG2   VAL   42 - QG1   VAL   42   2.05 +/- 0.05  99.853% * 98.9960% (0.77  10.0 10.00   4.00  88.48) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.43 +/- 0.49   0.122% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.57 +/- 0.71   0.023% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  13.07 +/- 0.30   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.5:
    * O T HA    VAL   42 - QG2   VAL   42   2.16 +/- 0.15  99.956% * 99.2010% (0.80  10.0 10.00   4.00  88.48) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.09 +/- 0.91   0.034% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  15.75 +/- 0.58   0.001% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.55 +/- 0.43   0.003% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  12.05 +/- 0.31   0.003% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  12.96 +/- 1.14   0.002% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  16.23 +/- 0.49   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.09, residual support = 88.5:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  99.242% * 98.4381% (0.69  10.0 10.00   4.09  88.48) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.10 +/- 0.45   0.602% *  0.0867% (0.61   1.0  1.00   0.02   0.80) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   7.81 +/- 0.64   0.046% *  0.0909% (0.64   1.0  1.00   0.02   1.36) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   7.93 +/- 0.83   0.046% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   8.81 +/- 1.45   0.035% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.39 +/- 0.40   0.007% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.18 +/- 0.83   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  10.96 +/- 0.69   0.006% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42  10.31 +/- 0.59   0.008% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.49 +/- 0.63   0.004% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  14.72 +/- 1.27   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.07 +/- 0.84   0.001% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.5:
    * O T QG1   VAL   42 - QG2   VAL   42   2.05 +/- 0.05  99.634% * 98.8869% (0.77  10.0 10.00   4.00  88.48) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.35 +/- 0.43   0.364% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  13.07 +/- 0.30   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  14.54 +/- 1.12   0.001% *  0.0704% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.1:
    * O T HB    VAL   43 - HA    VAL   43   2.96 +/- 0.18  99.957% * 99.7401% (0.97  10.0 10.00   3.30  60.06) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.03 +/- 0.64   0.025% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.31 +/- 0.73   0.013% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.64 +/- 0.80   0.005% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.894, support = 4.31, residual support = 59.7:
    * O T QG1   VAL   43 - HA    VAL   43   2.49 +/- 0.21  86.218% * 95.4174% (0.90  10.0 10.00   4.33  60.06) =  99.334%  kept
          QD2   LEU   73 - HA    VAL   43   4.46 +/- 1.13  13.120% *  4.1982% (0.53   1.0  1.00   1.50   7.61) =   0.665%  kept
          QG1   VAL   41 - HA    VAL   43   6.77 +/- 0.40   0.260% *  0.1055% (0.99   1.0  1.00   0.02   1.68) =   0.000%
          QG2   VAL   18 - HA    VAL   43   7.73 +/- 1.02   0.144% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   8.25 +/- 0.64   0.081% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.14 +/- 0.71   0.090% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.73 +/- 0.73   0.056% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  10.70 +/- 1.08   0.023% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  12.80 +/- 0.77   0.006% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.1:
    * O T QG2   VAL   43 - HA    VAL   43   2.38 +/- 0.24  99.100% * 98.9143% (0.69  10.0 10.00   3.00  60.06) =  99.992%  kept
        T QD2   LEU   31 - HA    VAL   43   5.75 +/- 0.47   0.717% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.008%
          QG2   VAL   83 - HA    VAL   43   7.12 +/- 0.73   0.183% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.1:
    * O T HA    VAL   43 - HB    VAL   43   2.96 +/- 0.18  99.952% * 99.8083% (0.97  10.0 10.00   3.30  60.06) = 100.000%  kept
          HA    LEU   71 - HB    VAL   43  11.20 +/- 0.40   0.036% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB    VAL   43  14.12 +/- 0.70   0.009% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.44 +/- 0.49   0.004% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.69, residual support = 60.1:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.02  99.200% * 97.7514% (0.87  10.0 10.00   3.69  60.06) =  99.999%  kept
        T QG1   VAL   41 - HB    VAL   43   7.12 +/- 0.54   0.080% *  1.0803% (0.96   1.0 10.00   0.02   1.68) =   0.001%
          QD2   LEU   73 - HB    VAL   43   6.40 +/- 1.23   0.632% *  0.0573% (0.51   1.0  1.00   0.02   7.61) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.96 +/- 0.93   0.012% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.31 +/- 0.79   0.035% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43   9.59 +/- 1.05   0.015% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   9.07 +/- 0.55   0.018% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.90 +/- 0.74   0.006% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.95 +/- 0.76   0.002% *  0.0303% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.1:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.532% * 98.9143% (0.66  10.0 10.00   2.89  60.06) =  99.997%  kept
        T QD2   LEU   31 - HB    VAL   43   6.18 +/- 0.60   0.230% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB    VAL   43   6.27 +/- 0.93   0.238% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.33, residual support = 60.1:
    * O T HA    VAL   43 - QG1   VAL   43   2.49 +/- 0.21  99.895% * 99.8083% (0.90  10.0 10.00   4.33  60.06) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   8.21 +/- 0.45   0.086% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  11.21 +/- 0.85   0.013% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.71 +/- 0.43   0.006% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.69, residual support = 60.1:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.02  99.972% * 99.7401% (0.87  10.0 10.00   3.69  60.06) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   8.72 +/- 0.64   0.024% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  13.16 +/- 0.79   0.002% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  12.92 +/- 0.71   0.002% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 3.81, residual support = 60.0:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.06  95.953% * 98.9143% (0.62  10.0 10.00   3.81  60.06) =  99.960%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.65 +/- 0.34   3.650% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.040%
          QG2   VAL   83 - QG1   VAL   43   5.51 +/- 0.91   0.397% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.1:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  99.741% * 99.3815% (0.66  10.0 10.00   2.89  60.06) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   6.18 +/- 0.60   0.230% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  11.02 +/- 0.52   0.005% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  11.30 +/- 0.69   0.005% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31   9.63 +/- 0.68   0.013% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  13.12 +/- 0.77   0.002% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.91 +/- 1.07   0.002% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  14.64 +/- 0.79   0.001% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.543, support = 4.12, residual support = 86.0:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.06  44.195% * 80.9559% (0.62  10.0 10.00   3.81  60.06) =  84.773%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  36.069% * 17.7908% (0.14  10.0 10.00   5.84 230.71) =  15.204%  kept
        T QG1   VAL   43 - QD2   LEU   31   3.65 +/- 0.34   1.772% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.010%
          QG1   VAL   41 - QD2   LEU   31   2.91 +/- 0.67  11.131% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.007%
          QD2   LEU   73 - QG2   VAL   43   4.91 +/- 1.16   4.493% *  0.0475% (0.36   1.0  1.00   0.02   7.61) =   0.005%
        T HG    LEU   31 - QG2   VAL   43   6.47 +/- 0.68   0.058% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD2   LEU   31   3.57 +/- 0.44   2.096% *  0.0136% (0.10   1.0  1.00   0.02   3.35) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   6.47 +/- 0.46   0.051% *  0.0895% (0.68   1.0  1.00   0.02   1.68) =   0.000%
          QG2   THR   46 - QG2   VAL   43   6.63 +/- 0.45   0.042% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.93 +/- 1.03   0.019% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.82 +/- 0.83   0.041% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.60 +/- 0.84   0.010% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.47 +/- 0.82   0.005% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.39 +/- 0.96   0.006% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  11.15 +/- 1.02   0.002% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.79 +/- 0.53   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.12 +/- 0.92   0.007% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.38 +/- 0.77   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 37.8:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.99 +/- 0.18  99.552% * 97.1917% (1.00  10.0 10.00   2.68  37.82) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   8.03 +/- 0.62   0.311% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.51 +/- 1.25   0.006% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  10.11 +/- 0.62   0.075% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  11.56 +/- 0.59   0.033% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  17.20 +/- 1.14   0.003% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  13.03 +/- 0.72   0.016% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  24.59 +/- 1.40   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  17.24 +/- 0.70   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.55 +/- 0.14  99.468% * 98.4998% (1.00  10.0 10.00   4.00  37.82) =  99.999%  kept
        T QB    ALA   84 - HA    ASP-  44   9.76 +/- 0.55   0.036% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   7.63 +/- 0.79   0.181% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASP-  44   7.65 +/- 0.83   0.203% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44   9.43 +/- 0.96   0.046% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.25 +/- 1.21   0.018% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44   9.91 +/- 0.80   0.036% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.41 +/- 0.47   0.003% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  14.93 +/- 1.23   0.003% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  17.74 +/- 1.02   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  15.62 +/- 0.64   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.67 +/- 0.99   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.36 +/- 0.42   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 37.8:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.99 +/- 0.18  99.626% * 98.1053% (1.00  10.0 10.00   2.68  37.82) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.05 +/- 0.85   0.307% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.99 +/- 0.49   0.025% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  16.83 +/- 0.83   0.003% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.52 +/- 1.15   0.013% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.73 +/- 0.49   0.008% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  16.20 +/- 0.48   0.004% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  25.14 +/- 1.82   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.14 +/- 0.49   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.26 +/- 0.42   0.004% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  16.21 +/- 0.57   0.004% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  22.42 +/- 1.41   0.001% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.955% * 99.2040% (1.00  10.0 10.00   2.62  37.82) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.02 +/- 0.96   0.033% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   9.09 +/- 0.72   0.006% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.01 +/- 0.83   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  10.83 +/- 0.45   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.60 +/- 0.92   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.51 +/- 0.68   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.52 +/- 0.91   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.64 +/- 1.19   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.99 +/- 0.95   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.32 +/- 0.67   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  16.66 +/- 1.31   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.44 +/- 0.52   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.8:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.55 +/- 0.14  99.653% * 99.3093% (1.00  10.0 10.00   4.00  37.82) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   6.94 +/- 0.75   0.318% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.59 +/- 0.59   0.014% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.79 +/- 1.35   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  15.92 +/- 0.49   0.002% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  15.07 +/- 0.72   0.003% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.95 +/- 0.49   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.32 +/- 0.41   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  17.23 +/- 0.38   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.05 +/- 0.89   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.49 +/- 1.69   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.73 +/- 1.24   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.62, residual support = 37.8:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.972% * 99.4398% (1.00  10.0 10.00   2.62  37.82) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   7.24 +/- 0.61   0.023% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  10.11 +/- 0.74   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  12.55 +/- 0.72   0.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.82 +/- 1.13   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  16.12 +/- 1.11   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  13.27 +/- 0.96   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.72 +/- 1.01   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  23.77 +/- 1.32   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.5:
    * O T HB2   PHE   45 - HA    PHE   45   3.07 +/- 0.01  99.850% * 99.8680% (1.00  10.0 10.00   3.31  80.51) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45   9.50 +/- 1.21   0.144% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  15.91 +/- 1.03   0.006% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.5:
    * O T HB3   PHE   45 - HA    PHE   45   2.51 +/- 0.06  99.963% * 99.6736% (1.00  10.0 10.00   4.00  80.51) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.77 +/- 0.99   0.018% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  11.58 +/- 0.56   0.011% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  15.49 +/- 1.52   0.002% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  14.10 +/- 0.88   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.94 +/- 1.08   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  18.05 +/- 0.96   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.5:
    * O T HA    PHE   45 - HB2   PHE   45   3.07 +/- 0.01  99.987% * 99.9145% (1.00  10.0 10.00   3.31  80.51) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  14.06 +/- 0.22   0.011% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  18.90 +/- 0.86   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.5:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.990% * 99.6736% (1.00  10.0 10.00   3.31  80.51) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   8.89 +/- 1.17   0.007% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  11.10 +/- 0.48   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  14.34 +/- 1.30   0.000% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  14.33 +/- 0.93   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.99 +/- 0.99   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  19.40 +/- 1.04   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.5:
    * O T HA    PHE   45 - HB3   PHE   45   2.51 +/- 0.06  99.997% * 99.9145% (1.00  10.0 10.00   4.00  80.51) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.55 +/- 0.17   0.003% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.32 +/- 0.83   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.5:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.998% * 99.8680% (1.00  10.0 10.00   3.31  80.51) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  11.35 +/- 1.29   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  14.91 +/- 1.04   0.000% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - HA    THR   46   2.49 +/- 0.10  99.993% * 98.0423% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.39 +/- 1.13   0.005% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.16 +/- 1.31   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  17.79 +/- 1.44   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  26.77 +/- 0.88   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.25 +/- 0.93   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  20.09 +/- 1.36   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.64 +/- 1.04   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  29.80 +/- 1.64   0.000% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HA    THR   46   2.85 +/- 0.39  99.238% * 97.3989% (1.00  10.0 10.00   3.00  34.52) =  99.999%  kept
          QG1   VAL   41 - HA    SER   37   8.12 +/- 0.50   0.257% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   13   8.32 +/- 0.95   0.211% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46   9.56 +/- 1.00   0.105% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.46 +/- 0.23   0.053% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  11.33 +/- 1.05   0.036% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.13 +/- 0.84   0.024% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.40 +/- 0.47   0.011% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.38 +/- 0.70   0.012% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.32 +/- 0.80   0.009% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.55 +/- 1.15   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.55 +/- 0.81   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  14.50 +/- 1.55   0.010% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.41 +/- 0.63   0.004% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.34 +/- 0.42   0.005% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.37 +/- 0.92   0.003% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.18 +/- 0.44   0.013% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.12 +/- 0.84   0.003% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  20.58 +/- 1.47   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.41 +/- 0.57   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  19.84 +/- 1.57   0.001% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.49 +/- 0.10  99.971% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  10.58 +/- 0.98   0.021% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  14.62 +/- 1.21   0.003% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.90 +/- 0.77   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.16 +/- 1.31   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  26.77 +/- 0.88   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.57 +/- 0.93   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  20.23 +/- 0.77   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.16 +/- 0.01  99.952% * 99.5878% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   8.51 +/- 1.05   0.038% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.85 +/- 0.69   0.007% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  13.32 +/- 1.09   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.43 +/- 0.71   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.24 +/- 1.33   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.44 +/- 0.97   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - QG2   THR   46   2.85 +/- 0.39  99.830% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46   9.33 +/- 1.49   0.107% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  11.86 +/- 1.27   0.022% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.13 +/- 0.87   0.030% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.55 +/- 1.15   0.001% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.55 +/- 0.81   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  14.88 +/- 0.80   0.006% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.33 +/- 0.91   0.003% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.16 +/- 0.01  99.997% * 99.8459% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.06 +/- 1.34   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.41 +/- 1.38   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 11.0:
    * O T QB    ALA   47 - HA    ALA   47   2.14 +/- 0.01  99.996% * 99.0048% (0.95  10.0 10.00   2.00  10.96) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.95 +/- 0.22   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.30 +/- 0.77   0.001% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  17.05 +/- 1.87   0.001% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.926, support = 2.03, residual support = 10.8:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.01  61.154% * 93.1822% (0.95  10.0 10.00   2.00  10.96) =  96.262%  kept
          HA    CYS   50 - QB    ALA   47   2.33 +/- 0.19  38.336% *  5.7720% (0.42   1.0  1.00   2.76   7.12) =   3.738%  kept
          HA    TRP   49 - QB    ALA   47   4.81 +/- 0.11   0.476% *  0.0259% (0.26   1.0  1.00   0.02  14.94) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.19 +/- 0.76   0.011% *  0.0913% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.95 +/- 0.22   0.001% *  0.7137% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.02 +/- 0.63   0.006% *  0.0700% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  10.05 +/- 1.13   0.008% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  10.67 +/- 0.82   0.005% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.38 +/- 0.57   0.001% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.57 +/- 0.39   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  15.41 +/- 0.48   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.46 +/- 0.34   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (0.37, 0.37, 21.60 ppm):
    2 diagonal assignments:
    *     QB    ALA   47 - QB    ALA   47  (0.89)  kept
          QG1   VAL   42 - QG1   VAL   42  (0.63)  kept
 
    Peak 476 (3.99, 3.99, 61.71 ppm):
    3 diagonal assignments:
    *     HA    SER   48 - HA    SER   48  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.35)  kept
          HA    VAL   70 - HA    VAL   70  (0.06)  kept
 
    Peak 477 (3.94, 3.99, 61.71 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.79, residual support = 9.54:
    * O T QB    SER   48 - HA    SER   48   2.27 +/- 0.09  99.147% * 96.0221% (1.00  10.0 10.00   1.79   9.54) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.43 +/- 0.30   0.613% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.002%
          HA2   GLY   16 - HA    VAL   70   8.34 +/- 2.25   0.183% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    SER   48   9.21 +/- 0.48   0.024% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.54 +/- 1.32   0.003% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.24 +/- 1.20   0.002% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  12.32 +/- 0.86   0.004% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.26 +/- 0.91   0.014% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  22.33 +/- 1.16   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  17.35 +/- 0.78   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  14.46 +/- 0.78   0.002% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  24.62 +/- 1.24   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  14.87 +/- 1.20   0.001% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  15.08 +/- 0.89   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.51 +/- 0.94   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  24.14 +/- 0.45   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  25.98 +/- 0.94   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  23.23 +/- 0.68   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  13.09 +/- 0.79   0.003% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  22.11 +/- 1.17   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  19.06 +/- 0.77   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.70 +/- 0.76   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.66 +/- 0.84   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  28.30 +/- 0.96   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  21.70 +/- 1.03   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  27.86 +/- 1.01   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  30.44 +/- 1.01   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  27.63 +/- 1.00   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  31.09 +/- 0.90   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  27.96 +/- 0.54   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 3.86, residual support = 74.1:
    * O T HB2   TRP   49 - HA    TRP   49   2.44 +/- 0.15  98.999% * 50.9151% (1.00  10.0 10.00   3.87  74.81) =  99.077%  kept
        T HB2   TRP   49 - HA    CYS   50   5.57 +/- 0.33   0.978% * 47.9899% (0.94   1.0 10.00   3.40   3.13) =   0.923%  kept
        T HA2   GLY  109 - HA    CYS   50  12.45 +/- 1.93   0.008% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  16.14 +/- 1.84   0.002% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.54 +/- 0.68   0.004% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  15.41 +/- 1.00   0.002% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  12.90 +/- 0.54   0.005% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  18.87 +/- 0.96   0.001% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  20.11 +/- 1.16   0.000% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.38 +/- 0.68   0.002% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  24.05 +/- 0.91   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  25.18 +/- 1.12   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.87, residual support = 74.8:
    * O T HB3   TRP   49 - HA    TRP   49   2.42 +/- 0.11  99.572% * 98.8838% (0.84  10.0 10.00   3.87  74.81) =  99.996%  kept
        T HB3   TRP   49 - HA    CYS   50   6.08 +/- 0.11   0.422% *  0.9320% (0.79   1.0 10.00   0.02   3.13) =   0.004%
          HB3   PHE   59 - HA    CYS   50  12.53 +/- 0.81   0.006% *  0.0893% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.63 +/- 0.80   0.001% *  0.0948% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 74.8:
    * O T HA    TRP   49 - HB2   TRP   49   2.44 +/- 0.15  98.869% * 97.9260% (1.00  10.0 10.00   3.87  74.81) =  99.991%  kept
        T HA    CYS   50 - HB2   TRP   49   5.57 +/- 0.33   0.976% *  0.9263% (0.95   1.0 10.00   0.02   3.13) =   0.009%
          HA    ALA   47 - HB2   TRP   49   7.40 +/- 0.25   0.152% *  0.0272% (0.28   1.0  1.00   0.02  14.94) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  15.72 +/- 1.64   0.002% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.01 +/- 1.10   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  22.88 +/- 1.10   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  30.73 +/- 1.23   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.8:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  74.81) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.50 +/- 1.12   0.000% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.87, residual support = 74.8:
    * O T HA    TRP   49 - HB3   TRP   49   2.42 +/- 0.11  99.321% * 98.7661% (0.84  10.0 10.00   3.87  74.81) =  99.996%  kept
        T HA    CYS   50 - HB3   TRP   49   6.08 +/- 0.11   0.421% *  0.9343% (0.79   1.0 10.00   0.02   3.13) =   0.004%
          HA    ALA   47 - HB3   TRP   49   6.72 +/- 0.32   0.255% *  0.0275% (0.23   1.0  1.00   0.02  14.94) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  16.05 +/- 1.66   0.002% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.11 +/- 1.08   0.001% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  22.26 +/- 0.86   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.33 +/- 1.42   0.000% *  0.0639% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 74.8:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 99.6151% (0.84  10.0 10.00   3.00  74.81) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  14.80 +/- 1.27   0.000% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  15.21 +/- 1.88   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.98 +/- 0.54   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  24.48 +/- 0.86   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  25.19 +/- 1.16   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 1.65, residual support = 7.27:
    * O T QB    CYS   50 - HA    CYS   50   2.25 +/- 0.09  97.772% * 51.3514% (1.00  10.0 10.00   1.61   7.36) =  97.972%  kept
        T QB    CYS   50 - HA    TRP   49   4.34 +/- 0.30   2.147% * 48.4012% (0.94   1.0 10.00   3.16   3.13) =   2.028%  kept
          QE    LYS+  74 - HA    CYS   50   9.50 +/- 0.83   0.021% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49   9.77 +/- 2.07   0.040% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  10.61 +/- 1.89   0.016% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.78 +/- 0.88   0.003% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  16.99 +/- 1.07   0.001% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  21.20 +/- 1.01   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  27.66 +/- 0.98   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  32.21 +/- 0.91   0.000% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.61, residual support = 7.35:
    * O T HA    CYS   50 - QB    CYS   50   2.25 +/- 0.09  97.315% * 98.7658% (1.00  10.0 10.00   1.61   7.36) =  99.979%  kept
        T HA    TRP   49 - QB    CYS   50   4.34 +/- 0.30   2.136% *  0.9343% (0.95   1.0 10.00   0.02   3.13) =   0.021%
          HA    ALA   47 - QB    CYS   50   5.46 +/- 0.32   0.543% *  0.0443% (0.45   1.0  1.00   0.02   7.12) =   0.000%
          HA1   GLY  109 - QB    CYS   50  13.79 +/- 1.36   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  12.97 +/- 1.06   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  16.48 +/- 1.07   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  24.75 +/- 0.86   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 222.4:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  94.402% * 99.8323% (1.00  10.0 10.00   7.05 222.37) =  99.998%  kept
          HA    ALA   91 - HD2   PRO   52   7.38 +/- 1.72   5.429% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HD2   PRO   52  12.14 +/- 0.84   0.129% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  14.83 +/- 0.94   0.037% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  21.88 +/- 0.94   0.004% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.19 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 222.4:
    * O T HB2   PRO   52 - HD2   PRO   52   3.89 +/- 0.07  99.975% * 99.5699% (1.00  10.0 10.00   6.49 222.37) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  18.44 +/- 0.96   0.009% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  16.93 +/- 0.84   0.015% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 222.4:
    * O T HB3   PRO   52 - HD2   PRO   52   4.00 +/- 0.07  86.567% * 98.1836% (1.00  10.0 10.00   6.59 222.37) =  99.995%  kept
          HG2   PRO   93 - HD2   PRO   52   6.59 +/- 1.16   8.367% *  0.0303% (0.31   1.0  1.00   0.02   1.01) =   0.003%
          HG2   ARG+  54 - HD2   PRO   52   6.63 +/- 0.56   4.780% *  0.0368% (0.38   1.0  1.00   0.02   1.77) =   0.002%
        T QB    LYS+  81 - HD2   PRO   52  15.23 +/- 1.24   0.033% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  11.36 +/- 1.61   0.229% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.61 +/- 1.35   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.46 +/- 0.89   0.007% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  22.46 +/- 1.62   0.003% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  26.48 +/- 0.94   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.59 +/- 0.79   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.85 +/- 0.83   0.005% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.69 +/- 1.28   0.002% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  27.91 +/- 1.14   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.09 +/- 0.86   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.13 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 222.4:
    * O T HG2   PRO   52 - HD2   PRO   52   2.84 +/- 0.12  98.291% * 99.6094% (1.00  10.0 10.00   6.45 222.37) =  99.999%  kept
          HG2   MET   92 - HD2   PRO   52   6.11 +/- 0.85   1.687% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  13.36 +/- 1.56   0.011% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  16.02 +/- 1.32   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.32 +/- 0.63   0.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  26.56 +/- 1.22   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  35.35 +/- 1.09   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 222.4:
    * O T HG3   PRO   52 - HD2   PRO   52   2.33 +/- 0.12  99.778% * 98.5427% (1.00  10.0 10.00   6.45 222.37) = 100.000%  kept
          HB2   PRO   93 - HD2   PRO   52   7.17 +/- 1.50   0.218% *  0.0304% (0.31   1.0  1.00   0.02   1.01) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  12.66 +/- 0.67   0.004% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  27.11 +/- 0.82   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  20.52 +/- 0.89   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  29.35 +/- 1.67   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  28.38 +/- 0.85   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.86 +/- 2.05   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 222.4:
    * O T HB2   PRO   52 - HA    PRO   52   2.65 +/- 0.17  99.997% * 99.5699% (1.00  10.0 10.00   5.12 222.37) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  19.45 +/- 0.91   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.55 +/- 0.91   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 222.4:
    * O T HB3   PRO   52 - HA    PRO   52   2.39 +/- 0.17  98.593% * 99.2796% (1.00  10.0 10.00   6.11 222.37) = 100.000%  kept
          HG2   ARG+  54 - HA    PRO   52   6.06 +/- 0.79   0.730% *  0.0373% (0.38   1.0  1.00   0.02   1.77) =   0.000%
          HG2   PRO   93 - HA    PRO   52   6.01 +/- 1.27   0.673% *  0.0306% (0.31   1.0  1.00   0.02   1.01) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  18.46 +/- 1.21   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  14.13 +/- 1.23   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.50 +/- 0.97   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.65 +/- 1.44   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.19 +/- 1.45   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.19 +/- 0.82   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  24.65 +/- 0.75   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.24 +/- 1.10   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  27.28 +/- 1.13   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.50 +/- 0.80   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.91 +/- 0.81   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.4:
    * O T HG2   PRO   52 - HA    PRO   52   3.88 +/- 0.02  94.395% * 99.6094% (1.00  10.0 10.00   5.98 222.37) =  99.996%  kept
          HG2   MET   92 - HA    PRO   52   6.94 +/- 1.36   5.263% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.004%
          QG    GLU- 114 - HA    PRO   52  11.65 +/- 1.49   0.244% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.52 +/- 0.82   0.090% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  19.43 +/- 1.31   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  29.69 +/- 1.15   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  36.85 +/- 1.01   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.34 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.4:
    * O T HG3   PRO   52 - HA    PRO   52   3.97 +/- 0.02  96.197% * 98.7160% (1.00  10.0 10.00   5.98 222.37) =  99.996%  kept
        T HG2   PRO   58 - HA    PRO   52  10.50 +/- 0.88   0.315% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    PRO   52   7.43 +/- 1.37   3.484% *  0.0305% (0.31   1.0  1.00   0.02   1.01) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  30.34 +/- 1.61   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.56 +/- 0.90   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  27.98 +/- 0.81   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.93 +/- 0.68   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  38.77 +/- 1.94   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.88 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 222.4:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.801% * 99.4673% (1.00  10.0 10.00   7.05 222.37) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  11.65 +/- 0.26   0.160% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  18.42 +/- 1.25   0.011% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  19.15 +/- 0.88   0.008% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  21.44 +/- 0.71   0.004% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  20.20 +/- 0.71   0.006% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  20.88 +/- 1.16   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  23.86 +/- 0.74   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  25.70 +/- 1.00   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  32.19 +/- 0.66   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.85 +/- 0.72   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  33.04 +/- 0.75   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.80 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 222.4:
    * O T HA    PRO   52 - HB2   PRO   52   2.65 +/- 0.17  99.550% * 99.4915% (1.00  10.0 10.00   5.12 222.37) = 100.000%  kept
          HA    LYS+ 111 - HB2   PRO   52   8.60 +/- 1.06   0.127% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52   7.93 +/- 1.29   0.227% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.41 +/- 0.99   0.063% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  12.17 +/- 1.46   0.015% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.45 +/- 0.91   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.63 +/- 1.13   0.011% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.81 +/- 1.13   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.21 +/- 0.82   0.003% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.94 +/- 1.19   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 222.4:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  95.776% * 98.7825% (1.00  10.0 10.00   6.11 222.37) =  99.999%  kept
          HG2   PRO   93 - HB2   PRO   52   4.35 +/- 1.73   2.273% *  0.0305% (0.31   1.0  1.00   0.02   1.01) =   0.001%
          HG12  ILE  103 - HG2   MET   96   4.50 +/- 2.19   1.770% *  0.0260% (0.26   1.0  1.00   0.02   8.70) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.02 +/- 1.75   0.142% *  0.0119% (0.12   1.0  1.00   0.02   8.70) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   7.93 +/- 0.61   0.013% *  0.0371% (0.38   1.0  1.00   0.02   1.77) =   0.000%
          HB    VAL   41 - HG2   MET   96   8.68 +/- 1.32   0.010% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.77 +/- 0.69   0.007% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.18 +/- 1.02   0.006% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  18.39 +/- 1.06   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  12.20 +/- 1.27   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  17.15 +/- 1.48   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.21 +/- 1.07   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.32 +/- 1.26   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.13 +/- 0.83   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  14.11 +/- 1.14   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.35 +/- 1.76   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  21.28 +/- 1.80   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  18.63 +/- 1.41   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.72 +/- 1.29   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  14.77 +/- 1.24   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  15.55 +/- 1.19   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.22 +/- 1.27   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  22.22 +/- 1.55   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  20.30 +/- 1.56   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.29 +/- 0.86   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  27.00 +/- 1.51   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  23.84 +/- 1.32   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.95 +/- 1.19   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 222.3:
    * O T HG2   PRO   52 - HB2   PRO   52   2.68 +/- 0.21  85.469% * 99.2053% (1.00  10.0 10.00   6.07 222.37) =  99.989%  kept
          HG2   MET   92 - HB2   PRO   52   4.82 +/- 1.76  14.448% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.011%
          QG    GLU- 114 - HB2   PRO   52  10.47 +/- 1.75   0.057% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  18.33 +/- 1.21   0.001% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.98 +/- 1.25   0.012% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.34 +/- 0.85   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  18.55 +/- 1.30   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.60 +/- 1.06   0.003% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  16.82 +/- 1.18   0.002% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  19.99 +/- 1.09   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  21.22 +/- 1.36   0.000% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  28.52 +/- 1.27   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.44 +/- 1.10   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  35.63 +/- 1.40   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 222.4:
    * O T HG3   PRO   52 - HB2   PRO   52   2.46 +/- 0.27  99.056% * 98.0617% (1.00  10.0 10.00   6.07 222.37) = 100.000%  kept
          HB2   PRO   93 - HB2   PRO   52   5.93 +/- 1.75   0.913% *  0.0303% (0.31   1.0  1.00   0.02   1.01) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  11.35 +/- 0.90   0.012% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  17.06 +/- 1.13   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  19.06 +/- 1.14   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.55 +/- 1.17   0.011% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  13.98 +/- 1.53   0.004% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.42 +/- 1.33   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.50 +/- 1.77   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  20.84 +/- 0.96   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  30.18 +/- 1.73   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  22.13 +/- 1.24   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  27.74 +/- 1.25   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.73 +/- 1.17   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.35 +/- 2.66   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  38.70 +/- 1.94   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 222.4:
    * O T HD2   PRO   52 - HB2   PRO   52   3.89 +/- 0.07  99.392% * 99.0230% (1.00  10.0 10.00   6.49 222.37) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  11.49 +/- 0.56   0.157% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  11.85 +/- 1.03   0.142% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.44 +/- 0.96   0.009% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.20 +/- 1.57   0.021% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  12.55 +/- 1.03   0.098% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  15.88 +/- 1.54   0.025% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  17.38 +/- 1.29   0.013% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  15.45 +/- 1.25   0.029% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.88 +/- 0.58   0.033% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.55 +/- 1.11   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  19.83 +/- 0.97   0.006% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.12 +/- 0.76   0.007% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  18.93 +/- 0.52   0.008% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.96 +/- 1.24   0.016% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.39 +/- 1.47   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.20 +/- 1.23   0.003% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.12 +/- 1.15   0.006% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.32 +/- 0.95   0.014% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  25.62 +/- 1.33   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  18.08 +/- 1.36   0.011% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.73 +/- 1.35   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.54 +/- 1.13   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.84 +/- 1.29   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 222.4:
    * O T HA    PRO   52 - HB3   PRO   52   2.39 +/- 0.17  99.827% * 99.6990% (1.00  10.0 10.00   6.11 222.37) = 100.000%  kept
          HA    LYS+ 111 - HB3   PRO   52   8.83 +/- 0.95   0.052% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52   8.12 +/- 1.08   0.102% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  12.95 +/- 0.95   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  18.46 +/- 1.21   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  11.64 +/- 1.06   0.009% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  13.36 +/- 0.84   0.004% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.89 +/- 1.09   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  22.13 +/- 1.53   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  19.41 +/- 1.15   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 222.4:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.11 222.37) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  18.39 +/- 1.06   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  17.15 +/- 1.48   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.21 +/- 1.07   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  16.63 +/- 0.90   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  23.77 +/- 0.90   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 222.4:
    * O T HG2   PRO   52 - HB3   PRO   52   2.44 +/- 0.23  95.858% * 99.4355% (1.00  10.0 10.00   6.14 222.37) =  99.997%  kept
          HG2   MET   92 - HB3   PRO   52   4.95 +/- 1.32   3.803% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HB3   PRO   52  10.96 +/- 1.49   0.066% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    LYS+  81   6.73 +/- 0.55   0.255% *  0.0091% (0.09   1.0  1.00   0.02   1.49) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  15.94 +/- 1.50   0.002% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  12.23 +/- 1.15   0.008% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  14.00 +/- 0.84   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  19.19 +/- 1.41   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  14.83 +/- 2.07   0.004% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.65 +/- 1.73   0.001% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.30 +/- 1.27   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.55 +/- 1.13   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  36.66 +/- 1.17   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.48 +/- 0.76   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 222.4:
    * O T HG3   PRO   52 - HB3   PRO   52   2.79 +/- 0.28  98.982% * 98.1909% (1.00  10.0 10.00   6.13 222.37) =  99.998%  kept
        T HB2   PRO   93 - HB3   PRO   52   6.92 +/- 0.84   0.601% *  0.3031% (0.31   1.0 10.00   0.02   1.01) =   0.002%
        T HG2   PRO   58 - HB3   PRO   52  11.95 +/- 0.93   0.019% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   7.71 +/- 0.78   0.385% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  15.23 +/- 1.27   0.005% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  22.95 +/- 1.00   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  15.44 +/- 1.18   0.004% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  31.16 +/- 1.57   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  22.91 +/- 1.01   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.23 +/- 0.69   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  28.72 +/- 0.87   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  25.47 +/- 1.85   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  28.60 +/- 0.91   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  39.65 +/- 2.05   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  32.37 +/- 3.03   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.48 +/- 0.74   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 222.4:
    * O T HD2   PRO   52 - HB3   PRO   52   4.00 +/- 0.07  55.114% * 97.9761% (1.00  10.0 10.00   6.59 222.37) =  99.996%  kept
          HB2   SER   82 - QB    LYS+  81   4.62 +/- 0.51  27.100% *  0.0038% (0.04   1.0  1.00   0.02  12.94) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.03 +/- 0.55  16.844% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   PRO   52  11.81 +/- 0.58   0.088% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.70 +/- 0.57   0.567% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  15.23 +/- 1.24   0.022% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  10.81 +/- 1.53   0.213% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  16.67 +/- 1.22   0.011% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  19.79 +/- 0.72   0.004% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  17.79 +/- 0.88   0.007% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  16.90 +/- 0.61   0.010% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  31.72 +/- 0.92   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  22.47 +/- 0.64   0.002% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  20.82 +/- 0.88   0.003% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  30.49 +/- 0.98   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  22.80 +/- 0.81   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  21.17 +/- 1.14   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  22.28 +/- 0.71   0.002% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  26.57 +/- 0.70   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  32.87 +/- 1.01   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  18.93 +/- 0.73   0.005% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  24.79 +/- 0.69   0.001% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.63 +/- 0.66   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.93 +/- 1.08   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.82 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.4:
    * O T HA    PRO   52 - HG2   PRO   52   3.88 +/- 0.02  92.178% * 99.8323% (1.00  10.0 10.00   5.98 222.37) =  99.997%  kept
          HA    ALA   91 - HG2   PRO   52   6.58 +/- 1.46   7.513% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG2   PRO   52  10.76 +/- 1.05   0.256% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  13.94 +/- 1.28   0.050% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  23.26 +/- 1.25   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 222.4:
    * O T HB2   PRO   52 - HG2   PRO   52   2.68 +/- 0.21  99.998% * 99.5699% (1.00  10.0 10.00   6.07 222.37) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  18.33 +/- 1.21   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.99 +/- 0.87   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 222.4:
    * O T HB3   PRO   52 - HG2   PRO   52   2.44 +/- 0.23  98.780% * 99.2796% (1.00  10.0 10.00   6.14 222.37) = 100.000%  kept
          HG2   PRO   93 - HG2   PRO   52   6.17 +/- 1.08   1.137% *  0.0306% (0.31   1.0  1.00   0.02   1.01) =   0.000%
          HG2   ARG+  54 - HG2   PRO   52   8.70 +/- 0.44   0.061% *  0.0373% (0.38   1.0  1.00   0.02   1.77) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  10.86 +/- 1.48   0.019% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  15.94 +/- 1.50   0.002% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  20.25 +/- 1.06   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  22.32 +/- 1.62   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  23.79 +/- 1.61   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.42 +/- 1.23   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  24.29 +/- 1.01   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  23.26 +/- 1.39   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  29.00 +/- 1.15   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.90 +/- 1.17   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  27.66 +/- 1.21   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 222.4:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.973% * 98.7160% (1.00  10.0 10.00   6.00 222.37) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   7.41 +/- 1.22   0.027% *  0.0305% (0.31   1.0  1.00   0.02   1.01) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  13.58 +/- 0.78   0.000% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.69 +/- 1.08   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  31.30 +/- 1.63   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  29.63 +/- 0.97   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  28.13 +/- 1.15   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  39.83 +/- 1.96   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 222.4:
    * O T HD2   PRO   52 - HG2   PRO   52   2.84 +/- 0.12  99.940% * 99.4673% (1.00  10.0 10.00   6.45 222.37) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52  10.28 +/- 0.69   0.050% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  15.37 +/- 1.52   0.005% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  16.40 +/- 1.16   0.003% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  21.27 +/- 1.18   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  23.38 +/- 0.73   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  21.05 +/- 0.81   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.81 +/- 1.34   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  27.23 +/- 0.90   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  31.30 +/- 1.22   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  29.79 +/- 1.12   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  32.64 +/- 1.25   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 222.4:
    * O T HA    PRO   52 - HG3   PRO   52   3.97 +/- 0.02  87.980% * 98.8988% (1.00  10.0 10.00   5.98 222.37) =  99.993%  kept
          HA    ALA   91 - HG3   PRO   52   6.19 +/- 1.35  10.946% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T HA    PRO   52 - HG2   PRO   58  10.50 +/- 0.88   0.290% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG3   PRO   52  10.44 +/- 0.96   0.328% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   PRO   58  10.90 +/- 2.07   0.291% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  13.00 +/- 1.08   0.079% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  13.44 +/- 1.34   0.068% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.54 +/- 1.00   0.012% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  21.78 +/- 0.99   0.003% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.62 +/- 1.32   0.003% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.41 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 222.4:
    * O T HB2   PRO   52 - HG3   PRO   52   2.46 +/- 0.27  99.275% * 98.4337% (1.00  10.0 10.00   6.07 222.37) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.12 +/- 0.94   0.710% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.35 +/- 0.90   0.012% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  17.06 +/- 1.13   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  19.06 +/- 1.14   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  16.81 +/- 0.90   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 222.3:
    * O T HB3   PRO   52 - HG3   PRO   52   2.79 +/- 0.28  90.967% * 97.4419% (1.00  10.0 10.00   6.13 222.37) =  99.970%  kept
        T HG2   PRO   93 - HG3   PRO   52   5.06 +/- 1.07   8.557% *  0.3008% (0.31   1.0 10.00   0.02   1.01) =   0.029%
        T HG2   PRO   93 - HG2   PRO   58  10.37 +/- 1.81   0.064% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   PRO   58  11.95 +/- 0.93   0.017% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.15 +/- 0.40   0.171% *  0.0366% (0.38   1.0  1.00   0.02   1.77) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.21 +/- 1.08   0.103% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.56 +/- 1.18   0.045% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.41 +/- 1.26   0.049% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  13.31 +/- 1.08   0.010% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.23 +/- 1.27   0.005% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.71 +/- 1.02   0.002% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.09 +/- 1.08   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  21.06 +/- 1.57   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  18.49 +/- 0.86   0.001% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.95 +/- 1.00   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.73 +/- 1.31   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.65 +/- 1.28   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.30 +/- 0.97   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.23 +/- 0.86   0.001% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  22.81 +/- 0.98   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  22.10 +/- 1.30   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.99 +/- 1.00   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.12 +/- 0.81   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  27.62 +/- 1.31   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.30 +/- 1.23   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  23.80 +/- 1.03   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.12 +/- 0.91   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.29 +/- 1.01   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.19 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.981, support = 5.95, residual support = 220.7:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  84.179% * 86.8129% (1.00  10.0 10.00   6.00 222.37) =  97.846%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.37 +/- 0.20  14.828% * 10.8440% (0.12  10.0 10.00   4.00 144.78) =   2.153%  kept
          HG2   MET   92 - HG3   PRO   52   4.21 +/- 0.96   0.989% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  13.58 +/- 0.78   0.000% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  11.75 +/- 1.55   0.002% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  10.99 +/- 1.42   0.002% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.51 +/- 0.67   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  14.75 +/- 1.50   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.62 +/- 1.28   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.96 +/- 1.51   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  32.57 +/- 1.45   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  34.97 +/- 1.17   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  26.80 +/- 1.20   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.30 +/- 1.50   0.000% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 222.4:
    * O T HD2   PRO   52 - HG3   PRO   52   2.33 +/- 0.12  99.956% * 96.1754% (1.00  10.0 10.00   6.45 222.37) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.66 +/- 0.67   0.004% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52   9.47 +/- 0.68   0.025% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.79 +/- 0.41   0.004% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  14.71 +/- 1.39   0.002% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  15.76 +/- 1.01   0.001% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  16.90 +/- 0.89   0.001% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.30 +/- 0.89   0.003% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  14.74 +/- 1.33   0.002% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  29.84 +/- 1.02   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  17.77 +/- 1.12   0.001% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  29.60 +/- 1.03   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.27 +/- 0.94   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  19.52 +/- 0.80   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.35 +/- 0.88   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  22.01 +/- 0.96   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  23.68 +/- 1.08   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  29.09 +/- 1.28   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.64 +/- 0.62   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  29.09 +/- 1.20   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.78 +/- 0.99   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  31.12 +/- 1.03   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.78 +/- 1.00   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.47 +/- 0.82   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.6:
    * O T HB2   CYS   53 - HA    CYS   53   2.94 +/- 0.06  98.025% * 99.5207% (1.00  10.0 10.00   2.96  43.58) =  99.999%  kept
          HD3   PRO   52 - HA    CYS   53   6.27 +/- 0.03   1.059% *  0.0684% (0.69   1.0  1.00   0.02  52.92) =   0.001%
          HD2   PRO   58 - HA    CYS   53   6.61 +/- 0.73   0.913% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  20.71 +/- 0.41   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  18.16 +/- 0.71   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.08 +/- 0.93   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.01 +/- 0.78   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.21, residual support = 43.6:
    * O T HB3   CYS   53 - HA    CYS   53   2.74 +/- 0.11  85.440% * 99.5685% (1.00  10.0 10.00   3.21  43.58) =  99.984%  kept
          HD3   PRO   93 - HA    CYS   53   4.51 +/- 0.98   8.524% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.009%
          QB    PHE   55 - HA    CYS   53   4.36 +/- 0.29   5.668% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.006%
          HD2   ARG+  54 - HA    CYS   53   7.80 +/- 0.34   0.166% *  0.0987% (0.99   1.0  1.00   0.02  32.50) =   0.000%
          HB2   PHE   59 - HA    CYS   53   7.96 +/- 1.04   0.201% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  21.12 +/- 1.08   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.6:
    * O T HA    CYS   53 - HB2   CYS   53   2.94 +/- 0.06  99.991% * 98.9901% (1.00  10.0 10.00   2.96  43.58) = 100.000%  kept
        T HA    GLU-  25 - HB2   CYS   53  22.84 +/- 0.98   0.000% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYS   53  16.99 +/- 1.06   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  19.09 +/- 0.56   0.001% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.44 +/- 0.93   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.33 +/- 1.04   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 43.6:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.844% * 99.5685% (1.00  10.0 10.00   3.28  43.58) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   6.23 +/- 1.02   0.078% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.30 +/- 0.20   0.047% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.12 +/- 0.61   0.027% *  0.0987% (0.99   1.0  1.00   0.02  32.50) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.75 +/- 1.08   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  21.81 +/- 1.12   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.21, residual support = 43.6:
    * O T HA    CYS   53 - HB3   CYS   53   2.74 +/- 0.11  99.994% * 99.7562% (1.00  10.0 10.00   3.21  43.58) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  17.29 +/- 0.92   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.11 +/- 0.94   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  22.77 +/- 0.91   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.69 +/- 0.71   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.37 +/- 0.89   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.28, residual support = 43.6:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.876% * 99.6975% (1.00  10.0 10.00   3.28  43.58) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.85 +/- 0.78   0.096% *  0.0685% (0.69   1.0  1.00   0.02  52.92) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   7.72 +/- 1.17   0.028% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  17.25 +/- 0.84   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.35 +/- 1.02   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.44 +/- 0.67   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.43 +/- 0.98   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 165.5:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.75 +/- 0.10  96.018% * 98.6035% (1.00  10.0 10.00   5.69 165.53) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.32 +/- 0.82   2.762% *  0.0263% (0.27   1.0  1.00   0.02   7.67) =   0.001%
          HB2   PRO   93 - HA    LEU  115   8.74 +/- 2.12   0.868% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ARG+  54   8.41 +/- 1.69   0.247% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   8.97 +/- 0.58   0.090% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.79 +/- 1.12   0.004% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  15.82 +/- 1.45   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.42 +/- 1.05   0.003% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  25.59 +/- 1.87   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.37 +/- 1.03   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  23.59 +/- 1.93   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.24 +/- 0.87   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.77 +/- 1.02   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  25.85 +/- 1.23   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.88 +/- 1.31   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  23.13 +/- 1.40   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.74 +/- 1.61   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  33.89 +/- 2.10   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.49 +/- 1.15   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  33.85 +/- 2.39   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.15 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 165.5:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.59 +/- 0.54  98.251% * 96.1276% (1.00  10.0 10.00   5.69 165.53) =  99.998%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.94 +/- 0.30   0.266% *  0.3608% (0.38   1.0 10.00   0.02   1.77) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.57 +/- 0.24   0.678% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.00 +/- 0.47   0.197% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.77 +/- 0.81   0.357% *  0.0122% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.29 +/- 0.70   0.145% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.88 +/- 1.29   0.028% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  15.28 +/- 1.51   0.010% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  18.80 +/- 0.96   0.001% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  18.06 +/- 1.84   0.002% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.48 +/- 0.81   0.041% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  23.61 +/- 1.29   0.000% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  16.84 +/- 1.15   0.003% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.13 +/- 0.72   0.003% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  21.61 +/- 1.58   0.001% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.13 +/- 0.80   0.004% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.32 +/- 0.79   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  18.31 +/- 1.77   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.88 +/- 1.25   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.54 +/- 1.09   0.005% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.73 +/- 1.28   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  25.22 +/- 1.02   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.41 +/- 0.64   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  23.18 +/- 1.84   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.35 +/- 1.04   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.58 +/- 0.79   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.47 +/- 0.94   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  31.39 +/- 0.84   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.12 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 5.29, residual support = 154.7:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.69 +/- 0.75  62.630% * 72.4791% (1.00 10.00   5.38 165.53) =  92.399%  kept
          HB3   CYS   53 - HA    ARG+  54   4.92 +/- 0.53  16.985% * 14.9376% (0.99  1.00   4.16  32.50) =   5.164%  kept
          QB    PHE   55 - HA    ARG+  54   5.10 +/- 0.08   9.875% * 12.1032% (0.80  1.00   4.17   3.17) =   2.433%  kept
          HB2   PHE   59 - HA    LEU  115   5.96 +/- 1.35   9.124% *  0.0117% (0.16  1.00   0.02  28.39) =   0.002%
          HD3   PRO   93 - HA    ARG+  54   8.88 +/- 0.97   0.396% *  0.0650% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    ARG+  54   9.24 +/- 0.96   0.333% *  0.0381% (0.53  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HA    LEU  115   9.19 +/- 1.10   0.427% *  0.0179% (0.25  1.00   0.02   4.16) =   0.000%
          HD3   PRO   93 - HA    LEU  115  10.94 +/- 1.41   0.155% *  0.0200% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  16.21 +/- 1.23   0.010% *  0.2230% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.68 +/- 1.08   0.051% *  0.0221% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.97 +/- 1.46   0.012% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  21.61 +/- 1.21   0.002% *  0.0629% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 165.5:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.75 +/- 0.10  99.973% * 98.5625% (1.00  10.0 10.00   5.69 165.53) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.79 +/- 1.12   0.005% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.82 +/- 1.96   0.010% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  20.39 +/- 1.11   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.64 +/- 0.95   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  25.59 +/- 1.87   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.46 +/- 2.36   0.002% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  25.85 +/- 1.23   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.49 +/- 2.01   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  27.79 +/- 1.11   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.39 +/- 3.34   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.59 +/- 3.91   0.002% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.68 +/- 1.15   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  23.82 +/- 2.04   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  33.89 +/- 2.10   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  29.89 +/- 0.78   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  21.99 +/- 2.70   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  33.85 +/- 2.39   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  25.17 +/- 3.60   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.28 +/- 1.58   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  27.07 +/- 2.10   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  36.27 +/- 0.81   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  28.74 +/- 2.66   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  27.94 +/- 3.27   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  35.05 +/- 3.27   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  30.09 +/- 1.26   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  37.83 +/- 2.45   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.77, residual support = 165.5:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.46 +/- 0.39  96.040% * 97.3460% (1.00  10.0 10.00   4.77 165.53) =  99.996%  kept
          QB    PHE   55 - HB2   ARG+  54   4.65 +/- 0.41   3.027% *  0.0779% (0.80   1.0  1.00   0.02   3.17) =   0.003%
          HB3   CYS   53 - HB2   ARG+  54   6.38 +/- 0.82   0.840% *  0.0965% (0.99   1.0  1.00   0.02  32.50) =   0.001%
        T HD3   PRO   93 - HB2   ARG+  54   9.33 +/- 1.20   0.067% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  10.98 +/- 1.00   0.020% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  14.35 +/- 1.22   0.004% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  23.83 +/- 1.28   0.000% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  20.34 +/- 2.21   0.000% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  28.10 +/- 2.48   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  29.00 +/- 1.86   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  22.79 +/- 1.39   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  25.44 +/- 1.86   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  36.15 +/- 2.47   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  25.77 +/- 1.33   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  37.57 +/- 2.24   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  34.00 +/- 2.01   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  33.16 +/- 1.69   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  30.92 +/- 1.89   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 165.5:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.69 +/- 0.75  99.959% * 99.0328% (1.00 10.00   5.38 165.53) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.21 +/- 1.23   0.025% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  21.51 +/- 1.10   0.004% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  19.11 +/- 1.11   0.010% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  28.52 +/- 1.52   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  28.66 +/- 1.44   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  30.74 +/- 1.49   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  31.53 +/- 1.84   0.000% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  37.12 +/- 1.51   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.77, residual support = 165.5:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.46 +/- 0.39  99.972% * 97.9068% (1.00  10.0 10.00   4.77 165.53) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.43 +/- 1.70   0.025% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  18.61 +/- 1.37   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.96 +/- 1.31   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  26.70 +/- 2.41   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  28.10 +/- 2.48   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  26.61 +/- 1.64   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  25.76 +/- 2.09   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  36.15 +/- 2.47   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.88 +/- 1.73   0.000% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 165.5:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.78 +/- 0.15  99.808% * 97.2335% (1.00  10.0 10.00   4.62 165.53) = 100.000%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.05 +/- 0.75   0.107% *  0.3649% (0.38   1.0 10.00   0.02   1.77) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.27 +/- 0.58   0.081% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  20.82 +/- 1.26   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  26.26 +/- 1.89   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  18.89 +/- 1.33   0.001% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  18.92 +/- 0.79   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.45 +/- 0.83   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  22.17 +/- 1.83   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.03 +/- 1.29   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  28.09 +/- 1.60   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  26.55 +/- 1.83   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  26.57 +/- 1.64   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.73 +/- 1.43   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 19.8:
    * O T QB    PHE   55 - HA    PHE   55   2.49 +/- 0.09  98.840% * 99.2105% (1.00  10.0 10.00   3.42  19.76) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.69 +/- 0.50   0.860% *  0.0794% (0.80   1.0  1.00   0.02   3.17) =   0.001%
          HB2   PHE   59 - HA    PHE   55   7.90 +/- 0.89   0.121% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   55   7.84 +/- 0.34   0.108% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55   9.18 +/- 1.03   0.052% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.86 +/- 0.50   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.27 +/- 1.11   0.009% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.76 +/- 1.17   0.007% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  16.69 +/- 0.75   0.001% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  16.37 +/- 0.69   0.001% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  21.46 +/- 1.30   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  22.10 +/- 1.23   0.000% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 19.8:
    * O T HA    PHE   55 - QB    PHE   55   2.49 +/- 0.09  96.735% * 99.2581% (1.00  10.0 10.00   3.42  19.76) =  99.997%  kept
          HA    ALA  110 - QB    PHE   55   5.25 +/- 1.77   3.260% *  0.0861% (0.87   1.0  1.00   0.02   0.48) =   0.003%
        T HA    VAL   42 - QB    PHE   55  16.86 +/- 0.50   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  13.88 +/- 0.97   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 122.9:
    * O T HB    ILE   56 - HA    ILE   56   2.77 +/- 0.11  98.819% * 98.8500% (1.00  10.0 10.00   4.49 122.95) =  99.995%  kept
        T HB3   PRO   58 - HA    ILE   56   6.05 +/- 0.22   0.945% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HA    ILE   56   8.19 +/- 0.92   0.194% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.85 +/- 0.67   0.018% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  12.64 +/- 1.36   0.015% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  15.13 +/- 1.13   0.004% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.82 +/- 1.01   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.54 +/- 0.86   0.001% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.44 +/- 1.02   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.85 +/- 1.12   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  20.83 +/- 1.53   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.81 +/- 0.86   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  27.76 +/- 1.08   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.67, residual support = 122.9:
    * O   QG2   ILE   56 - HA    ILE   56   2.98 +/- 0.22  99.954% * 98.4757% (1.00  10.0  1.00   4.67 122.95) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  12.50 +/- 0.82   0.022% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  13.29 +/- 1.12   0.016% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.61 +/- 0.74   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  29.00 +/- 1.27   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  22.95 +/- 1.31   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.08 +/- 0.78   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.08 +/- 1.39   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.08 +/- 1.34   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  21.35 +/- 1.07   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 122.9:
    * O T QG1   ILE   56 - HA    ILE   56   2.56 +/- 0.22  99.968% * 97.9351% (1.00  10.0 10.00   3.76 122.95) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.35 +/- 1.52   0.004% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.49 +/- 1.02   0.025% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  20.78 +/- 1.32   0.000% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  19.82 +/- 1.14   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  16.52 +/- 1.17   0.002% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  17.56 +/- 0.90   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 122.9:
    * O T HA    ILE   56 - HB    ILE   56   2.77 +/- 0.11  99.770% * 98.4172% (1.00  10.0 10.00   4.49 122.95) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   8.11 +/- 0.58   0.182% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB    ILE   56  10.39 +/- 0.90   0.044% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  17.67 +/- 1.46   0.002% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.26 +/- 0.71   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  21.22 +/- 0.69   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  21.93 +/- 0.69   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  27.69 +/- 0.72   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.75 +/- 0.94   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 122.9:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.01  99.989% * 98.4757% (1.00  10.0 10.00   5.52 122.95) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  10.46 +/- 1.15   0.008% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  13.21 +/- 0.93   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.58 +/- 0.53   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  29.09 +/- 1.36   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.97 +/- 0.90   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.52 +/- 1.46   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.50 +/- 0.61   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.74 +/- 1.13   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  21.82 +/- 1.10   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 122.9:
    * O T QG1   ILE   56 - HB    ILE   56   2.33 +/- 0.08  99.905% * 98.7886% (1.00  10.0 10.00   4.52 122.95) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  13.14 +/- 1.46   0.004% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   8.10 +/- 1.63   0.088% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  19.91 +/- 0.93   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  14.56 +/- 1.75   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.70 +/- 0.87   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  17.29 +/- 0.79   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 122.9:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.01  99.765% * 98.4311% (1.00  10.0 10.00   5.52 122.95) = 100.000%  kept
          HB3   PRO   58 - QG2   ILE   56   7.01 +/- 0.35   0.080% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   7.93 +/- 1.01   0.045% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE   56   7.19 +/- 0.49   0.071% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   8.73 +/- 1.23   0.028% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.43 +/- 0.81   0.005% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.42 +/- 1.36   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  21.81 +/- 1.06   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  14.89 +/- 1.11   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  16.78 +/- 1.14   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  15.39 +/- 1.53   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.61 +/- 1.00   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.41 +/- 0.82   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.67, residual support = 122.9:
    * O T QG1   ILE   56 - QG2   ILE   56   2.15 +/- 0.11  99.853% * 98.7886% (1.00  10.0 10.00   4.67 122.95) = 100.000%  kept
        T QD    LYS+ 106 - QG2   ILE   56  10.29 +/- 1.24   0.010% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG2   ILE   56   6.81 +/- 1.10   0.126% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  11.10 +/- 1.62   0.006% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  15.51 +/- 0.89   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  12.67 +/- 1.16   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  15.97 +/- 1.11   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 122.9:
    * O T HA    ILE   56 - QG1   ILE   56   2.56 +/- 0.22  99.409% * 98.1263% (1.00  10.0 10.00   3.76 122.95) =  99.999%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.18 +/- 0.43   0.130% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   6.78 +/- 0.81   0.452% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.33 +/- 0.72   0.001% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.83 +/- 0.94   0.006% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  17.31 +/- 0.70   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.45 +/- 0.65   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  23.32 +/- 0.80   0.000% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.71 +/- 0.89   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 122.9:
    * O T HB    ILE   56 - QG1   ILE   56   2.33 +/- 0.08  99.633% * 98.6066% (1.00  10.0 10.00   4.52 122.95) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56   9.18 +/- 1.37   0.037% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   7.20 +/- 0.94   0.252% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.24 +/- 1.30   0.033% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   9.14 +/- 0.77   0.033% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.36 +/- 0.86   0.008% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.72 +/- 1.35   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  17.56 +/- 0.97   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.35 +/- 1.38   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  19.07 +/- 0.94   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  17.31 +/- 0.92   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.38 +/- 0.78   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  23.28 +/- 0.74   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.67, residual support = 122.9:
    * O T QG2   ILE   56 - QG1   ILE   56   2.15 +/- 0.11  99.980% * 98.4757% (1.00  10.0 10.00   4.67 122.95) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56  10.10 +/- 1.06   0.012% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  11.61 +/- 1.03   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.73 +/- 0.92   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.39 +/- 0.63   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.38 +/- 1.23   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  16.15 +/- 0.55   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.50 +/- 1.08   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.80 +/- 1.32   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  18.26 +/- 0.93   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.93, support = 6.58, residual support = 141.4:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  45.186% * 97.5352% (0.95  10.0 10.00   6.70 144.78) =  97.654%  kept
          HA    ILE   56 - HD2   PRO   58   3.67 +/- 0.40  54.617% *  1.9382% (0.26   1.0  1.00   1.43   0.02) =   2.346%  kept
          HA    THR   46 - HD2   PRO   58   9.91 +/- 0.85   0.172% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.58 +/- 1.01   0.016% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  20.02 +/- 0.89   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.72 +/- 0.71   0.004% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  22.36 +/- 0.72   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  25.30 +/- 1.34   0.001% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.93 +/- 0.71   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.76 +/- 0.86   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  28.87 +/- 0.89   0.000% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 144.8:
    * O T HB2   PRO   58 - HD2   PRO   58   4.06 +/- 0.18  99.602% * 99.3830% (0.95  10.0 10.00   6.61 144.78) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.87 +/- 0.95   0.191% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.84 +/- 0.86   0.188% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  17.69 +/- 1.12   0.017% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  27.61 +/- 0.60   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  28.64 +/- 1.55   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.09 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.97, residual support = 144.8:
    * O T HB3   PRO   58 - HD2   PRO   58   3.59 +/- 0.18  89.694% * 97.3078% (0.79  10.0 10.00   6.97 144.78) =  99.991%  kept
          HB    ILE   56 - HD2   PRO   58   5.63 +/- 0.39   7.124% *  0.0973% (0.79   1.0  1.00   0.02   0.02) =   0.008%
          HG2   ARG+  54 - HD2   PRO   58   6.70 +/- 0.95   3.121% *  0.0180% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  14.08 +/- 0.80   0.028% *  0.1124% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  22.68 +/- 1.24   0.002% *  1.1650% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.20 +/- 0.89   0.017% *  0.0479% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  28.90 +/- 0.82   0.000% *  1.1020% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  19.43 +/- 1.04   0.004% *  0.0360% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.83 +/- 0.86   0.006% *  0.0204% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  21.10 +/- 1.08   0.002% *  0.0437% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  23.95 +/- 1.19   0.001% *  0.0290% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  31.93 +/- 1.89   0.000% *  0.0204% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.18 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 144.8:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.783% * 98.7160% (0.95  10.0 10.00   6.61 144.78) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  10.90 +/- 0.73   0.039% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.09 +/- 1.67   0.176% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  23.61 +/- 1.65   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  20.40 +/- 0.68   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  31.76 +/- 1.81   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  23.45 +/- 1.24   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  26.13 +/- 1.09   0.000% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 144.8:
    * O T HB2   PRO   58 - HA    PRO   58   2.69 +/- 0.13  99.981% * 99.2784% (1.00  10.0 10.00   5.98 144.78) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.33 +/- 0.85   0.012% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.39 +/- 1.27   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  15.01 +/- 0.84   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  25.59 +/- 0.80   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  27.60 +/- 1.82   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 144.8:
    * O T HB3   PRO   58 - HA    PRO   58   2.35 +/- 0.13  99.895% * 98.4544% (0.84  10.0 10.00   6.19 144.78) =  99.999%  kept
        T HB    ILE   56 - HA    PRO   58   8.11 +/- 0.58   0.077% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   58   9.72 +/- 1.02   0.024% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  16.54 +/- 0.78   0.001% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.36 +/- 0.90   0.001% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.75 +/- 1.54   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  17.05 +/- 1.07   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  21.83 +/- 1.23   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.31 +/- 0.88   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  26.37 +/- 1.00   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.68 +/- 1.47   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  28.56 +/- 1.96   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 144.8:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.624% * 98.7160% (1.00  10.0 10.00   5.98 144.78) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  13.89 +/- 0.60   0.056% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    PRO   58  10.96 +/- 1.38   0.289% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.87 +/- 0.80   0.018% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  20.30 +/- 1.64   0.006% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  28.37 +/- 1.87   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  22.95 +/- 1.45   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.29 +/- 1.37   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.28 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 144.8:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.598% * 98.5403% (0.95  10.0 10.00   6.70 144.78) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58   9.68 +/- 0.73   0.398% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  24.57 +/- 0.95   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  25.53 +/- 0.94   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  22.86 +/- 1.04   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.10 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 144.8:
    * O T HA    PRO   58 - HB2   PRO   58   2.69 +/- 0.13  98.677% * 99.4356% (1.00  10.0 10.00   5.98 144.78) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.61 +/- 0.20   1.296% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  12.78 +/- 0.77   0.010% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  12.87 +/- 1.25   0.010% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  14.67 +/- 1.12   0.005% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.35 +/- 1.05   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.03 +/- 1.03   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  23.39 +/- 1.64   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  21.75 +/- 1.00   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.21 +/- 1.09   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.97 +/- 1.15   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 144.8:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.978% * 98.9371% (0.84  10.0 10.00   4.20 144.78) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   8.04 +/- 0.75   0.019% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.49 +/- 1.03   0.003% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.05 +/- 0.68   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  15.73 +/- 1.04   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  23.55 +/- 1.13   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  16.97 +/- 1.37   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.78 +/- 1.47   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.50 +/- 0.74   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  27.32 +/- 1.12   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  23.29 +/- 1.45   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  30.12 +/- 2.13   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 144.8:
    * O T HG2   PRO   58 - HB2   PRO   58   2.37 +/- 0.20  99.988% * 98.7160% (1.00  10.0 10.00   4.00 144.78) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.51 +/- 0.67   0.002% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.72 +/- 1.44   0.009% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.49 +/- 0.87   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  22.14 +/- 1.66   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  29.90 +/- 2.06   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  25.98 +/- 1.31   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  25.08 +/- 1.35   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 144.8:
    * O T HD2   PRO   58 - HB2   PRO   58   4.06 +/- 0.18  99.717% * 98.5403% (0.95  10.0 10.00   6.61 144.78) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  11.00 +/- 0.66   0.277% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  25.58 +/- 0.95   0.002% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.68 +/- 1.02   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  24.60 +/- 0.92   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.20 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 144.8:
    * O T HA    PRO   58 - HB3   PRO   58   2.35 +/- 0.13  99.592% * 99.1888% (0.84  10.0 10.00   6.19 144.78) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   6.05 +/- 0.22   0.397% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  12.61 +/- 0.96   0.005% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  13.00 +/- 1.24   0.004% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.90 +/- 1.00   0.001% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.53 +/- 1.09   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  21.87 +/- 0.89   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  23.46 +/- 1.67   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.66 +/- 0.83   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.82 +/- 1.12   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  28.63 +/- 1.13   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 144.8:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.998% * 99.1367% (0.84  10.0 10.00   4.20 144.78) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.83 +/- 1.05   0.001% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  17.91 +/- 1.16   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  15.32 +/- 0.91   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.29 +/- 0.76   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  29.79 +/- 1.93   0.000% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 144.8:
    * O T HG2   PRO   58 - HB3   PRO   58   2.89 +/- 0.20  99.963% * 97.0168% (0.84  10.0 10.00   4.20 144.78) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.38 +/- 0.71   0.007% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  11.96 +/- 1.47   0.027% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  22.10 +/- 1.68   0.001% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  29.94 +/- 2.03   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  18.10 +/- 0.84   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  25.07 +/- 1.49   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  26.27 +/- 1.40   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.50 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.97, residual support = 144.8:
    * O T HD2   PRO   58 - HB3   PRO   58   3.59 +/- 0.18  99.829% * 98.5403% (0.79  10.0 10.00   6.97 144.78) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  10.59 +/- 0.84   0.169% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  26.41 +/- 0.88   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.42 +/- 0.95   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  24.80 +/- 1.04   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.995, support = 5.95, residual support = 144.1:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  39.299% * 97.9061% (1.00  10.0 10.00   5.98 144.78) =  99.504%  kept
          HA    ILE   56 - HG2   PRO   58   3.71 +/- 0.17  59.107% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.493%
          HA    THR   46 - HG3   PRO   52   7.28 +/- 0.70   1.262% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.002%
        T HA    PRO   58 - HG3   PRO   52  13.89 +/- 0.60   0.022% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52   9.67 +/- 0.74   0.213% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  11.97 +/- 0.72   0.057% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  14.65 +/- 1.09   0.017% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.59 +/- 0.83   0.011% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.09 +/- 0.92   0.002% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  21.82 +/- 0.85   0.001% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  21.82 +/- 1.09   0.001% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  25.33 +/- 1.46   0.001% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.40 +/- 0.80   0.001% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  26.30 +/- 0.82   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.64 +/- 0.96   0.001% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.34 +/- 0.74   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.46 +/- 0.91   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  32.12 +/- 1.08   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  25.26 +/- 0.76   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.79 +/- 0.95   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  33.46 +/- 0.90   0.000% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  30.60 +/- 0.93   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.36 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.637, support = 4.83, residual support = 177.0:
    * O T HB2   PRO   58 - HG2   PRO   58   2.37 +/- 0.20  14.974% * 87.8577% (1.00  10.0 10.00   4.00 144.78) =  58.505%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  85.022% * 10.9746% (0.12  10.0 10.00   6.00 222.37) =  41.495%  kept
        T HB2   PRO   58 - HG3   PRO   52  14.51 +/- 0.67   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   PRO   58   9.66 +/- 0.94   0.004% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  13.58 +/- 0.78   0.000% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.36 +/- 1.63   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.01 +/- 1.16   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  19.47 +/- 0.93   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.96 +/- 0.69   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  26.80 +/- 1.20   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  29.55 +/- 0.65   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.30 +/- 1.50   0.000% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 144.8:
    * O T HB3   PRO   58 - HG2   PRO   58   2.89 +/- 0.20  88.238% * 96.9979% (0.84  10.0 10.00   4.20 144.78) =  99.988%  kept
          HB2   MET   92 - HG3   PRO   52   5.07 +/- 1.05   8.548% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.009%
          HB    ILE   56 - HG2   PRO   58   6.16 +/- 0.69   2.252% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HG3   PRO   52   7.57 +/- 1.56   0.524% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  14.38 +/- 0.71   0.007% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.15 +/- 0.40   0.201% *  0.0145% (0.12   1.0  1.00   0.02   1.77) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.21 +/- 1.08   0.141% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  15.23 +/- 1.27   0.005% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.41 +/- 1.26   0.057% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.31 +/- 0.66   0.005% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  13.41 +/- 0.91   0.011% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.03 +/- 1.00   0.006% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.95 +/- 1.00   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.71 +/- 1.02   0.003% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.54 +/- 1.25   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  23.80 +/- 1.10   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.12 +/- 0.81   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.30 +/- 0.97   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  28.29 +/- 0.93   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.08 +/- 1.99   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.30 +/- 1.23   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.00 +/- 0.77   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  26.29 +/- 1.01   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  38.39 +/- 2.12   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.48 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 144.8:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  96.743% * 98.7117% (0.95  10.0 10.00   6.61 144.78) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   5.37 +/- 0.54   3.144% *  0.0288% (0.28   1.0  1.00   0.02  52.92) =   0.001%
        T HD2   PRO   58 - HG3   PRO   52  10.90 +/- 0.73   0.038% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58   9.77 +/- 0.66   0.073% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  17.95 +/- 0.94   0.002% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  24.15 +/- 0.91   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  26.26 +/- 0.75   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  28.61 +/- 0.87   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.59 +/- 0.84   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  30.55 +/- 0.85   0.000% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 57.3:
    * O T HB2   PHE   59 - HA    PHE   59   2.80 +/- 0.29  99.816% * 99.6348% (1.00  10.0 10.00   3.26  57.30) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   8.94 +/- 0.43   0.113% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.58 +/- 0.90   0.027% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  12.48 +/- 0.78   0.017% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  13.07 +/- 1.08   0.013% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.11 +/- 1.42   0.014% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 57.3:
    * O T HB3   PHE   59 - HA    PHE   59   2.66 +/- 0.27  99.999% * 99.9552% (1.00  10.0 10.00   3.95  57.30) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  19.85 +/- 0.65   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 57.3:
    * O T HA    PHE   59 - HB2   PHE   59   2.80 +/- 0.29  99.928% * 99.8386% (1.00  10.0 10.00   3.26  57.30) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59   9.62 +/- 0.76   0.068% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  19.19 +/- 1.46   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.36 +/- 0.87   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  25.10 +/- 1.15   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.3:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  57.30) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.01 +/- 1.06   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 57.3:
    * O T HA    PHE   59 - HB3   PHE   59   2.66 +/- 0.27  99.935% * 99.8386% (1.00  10.0 10.00   3.95  57.30) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.24 +/- 0.82   0.063% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  19.60 +/- 1.27   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.65 +/- 0.78   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  25.49 +/- 0.89   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 57.3:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.965% * 99.6348% (1.00  10.0 10.00   3.44  57.30) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.00 +/- 0.59   0.028% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.06 +/- 0.91   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.84 +/- 1.23   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.01 +/- 1.37   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.62 +/- 0.76   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB2   PHE   60 - HA    PHE   60   2.95 +/- 0.12  99.994% * 99.9010% (1.00  10.0 10.00   4.00  71.94) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  15.02 +/- 0.75   0.006% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB3   PHE   60 - HA    PHE   60   2.49 +/- 0.25  99.961% * 99.7797% (1.00  10.0 10.00   4.00  71.94) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  10.33 +/- 0.79   0.027% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  12.42 +/- 0.99   0.009% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  14.89 +/- 1.34   0.003% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  22.50 +/- 1.46   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HA    PHE   60 - HB2   PHE   60   2.95 +/- 0.12  99.911% * 99.8400% (1.00  10.0 10.00   4.00  71.94) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  10.69 +/- 0.81   0.047% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.25 +/- 0.66   0.013% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.89 +/- 0.88   0.015% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.66 +/- 0.67   0.011% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.58 +/- 0.88   0.003% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 99.7797% (1.00  10.0 10.00   4.00  71.94) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.02 +/- 1.08   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  12.84 +/- 0.92   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.32 +/- 1.35   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  24.43 +/- 1.51   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HA    PHE   60 - HB3   PHE   60   2.49 +/- 0.25  99.954% * 99.8400% (1.00  10.0 10.00   4.00  71.94) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60   9.82 +/- 0.86   0.029% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  13.10 +/- 0.94   0.005% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.60 +/- 0.98   0.005% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.57 +/- 0.78   0.005% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  16.18 +/- 1.08   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 71.9:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  71.94) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  14.69 +/- 0.77   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.01  99.880% * 98.4786% (1.00  10.0 10.00   2.21  18.03) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   7.94 +/- 0.98   0.050% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  12.85 +/- 1.78   0.003% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.18 +/- 1.14   0.024% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  10.26 +/- 1.77   0.013% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.35 +/- 1.29   0.019% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  11.76 +/- 0.99   0.004% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.22 +/- 0.95   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  17.03 +/- 1.69   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  13.70 +/- 1.06   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  17.33 +/- 1.31   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.79 +/- 1.38   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.47 +/- 1.38   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.01  99.664% * 98.9510% (1.00  10.0 10.00   2.21  18.03) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   6.08 +/- 0.33   0.195% *  0.0444% (0.45   1.0  1.00   0.02   0.74) =   0.000%
          HD3   PRO   58 - QB    ALA  110   7.37 +/- 2.33   0.124% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  12.85 +/- 1.78   0.003% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.78 +/- 1.06   0.008% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  11.61 +/- 0.96   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  14.63 +/- 0.92   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  15.77 +/- 1.28   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  19.48 +/- 1.42   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.90 +/- 0.80   0.000% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.68 +/- 0.22  99.999% * 99.9434% (1.00  10.0 10.00   3.00  41.02) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.45 +/- 0.95   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.95 +/- 0.16  99.997% * 99.7306% (0.98  10.0 10.00   3.00  41.02) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  17.71 +/- 0.44   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  24.75 +/- 0.65   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  26.24 +/- 2.02   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  25.81 +/- 1.52   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.06 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.68 +/- 0.22  99.979% * 99.8236% (1.00  10.0 10.00   3.00  41.02) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.24 +/- 1.48   0.021% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  22.09 +/- 1.20   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  27.15 +/- 0.70   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00 100.000% * 99.7306% (0.98  10.0 10.00   3.00  41.02) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.07 +/- 1.02   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  24.44 +/- 0.78   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  27.55 +/- 1.96   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  26.92 +/- 1.24   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.95 +/- 0.16  99.970% * 99.8236% (0.98  10.0 10.00   3.00  41.02) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  11.78 +/- 0.88   0.029% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  21.78 +/- 1.29   0.001% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  26.56 +/- 0.81   0.000% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00 100.000% * 99.4370% (0.98  10.0 10.00   3.00  41.02) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  15.35 +/- 1.16   0.000% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.4:
    * O T HB2   LEU   63 - HA    LEU   63   2.92 +/- 0.13  99.787% * 99.1997% (1.00  10.0 10.00   6.28 242.41) = 100.000%  kept
          HB3   ASP-  44 - HA    LEU   63   9.55 +/- 0.81   0.098% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.23 +/- 0.90   0.065% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.23 +/- 1.49   0.015% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.14 +/- 0.97   0.009% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  14.41 +/- 0.86   0.008% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.04 +/- 1.65   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  13.92 +/- 0.97   0.010% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  18.33 +/- 0.69   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  19.77 +/- 0.82   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  20.94 +/- 1.15   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.31 +/- 0.97   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  19.32 +/- 0.92   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.4:
    * O T HB3   LEU   63 - HA    LEU   63   2.60 +/- 0.19  97.529% * 99.7424% (1.00  10.0 10.00   5.98 242.41) =  99.999%  kept
          QD1   LEU  123 - HA    LEU   63   5.41 +/- 1.09   1.751% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    LEU   63   6.60 +/- 0.82   0.482% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   8.20 +/- 1.12   0.223% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  12.06 +/- 0.86   0.012% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  14.66 +/- 0.91   0.004% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.4:
    * O T HG    LEU   63 - HA    LEU   63   2.68 +/- 0.47  99.772% * 99.8120% (1.00  10.0 10.00   5.98 242.41) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.27 +/- 0.99   0.219% *  0.0154% (0.15   1.0  1.00   0.02   0.43) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.32 +/- 1.50   0.008% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  18.81 +/- 0.91   0.001% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.649, support = 5.7, residual support = 242.4:
        T QD2   LEU   63 - HA    LEU   63   2.60 +/- 0.44  87.932% * 35.7505% (0.57 10.00   5.72 242.41) =  80.908%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.80 +/- 0.17  11.746% * 63.1462% (1.00 10.00   5.61 242.41) =  19.091%  kept
        T QD1   LEU  104 - HA    LEU   63  10.57 +/- 1.40   0.040% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   63   7.35 +/- 1.05   0.267% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.28 +/- 0.66   0.011% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.06 +/- 1.78   0.002% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  17.06 +/- 1.21   0.002% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.969, support = 5.71, residual support = 242.4:
    *   T QD2   LEU   63 - HA    LEU   63   2.60 +/- 0.44  87.942% * 63.5438% (1.00 10.00   5.72 242.41) =  92.969%  kept
        T QD1   LEU   63 - HA    LEU   63   3.80 +/- 0.17  11.748% * 35.9756% (0.57 10.00   5.61 242.41) =   7.031%  kept
          QD2   LEU  115 - HA    LEU   63   7.35 +/- 1.05   0.268% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.28 +/- 0.66   0.011% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  11.33 +/- 0.59   0.016% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  11.93 +/- 0.95   0.013% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  17.30 +/- 1.26   0.002% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.06 +/- 1.78   0.002% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.08 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.4:
    * O T HA    LEU   63 - HB2   LEU   63   2.92 +/- 0.13  99.997% * 99.2046% (1.00  10.0 10.00   6.28 242.41) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.36 +/- 1.33   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  18.63 +/- 0.85   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.4:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.802% * 99.7424% (1.00  10.0 10.00   6.31 242.41) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   6.73 +/- 1.27   0.137% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.41 +/- 0.85   0.023% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.24 +/- 1.31   0.037% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.73 +/- 1.04   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  12.93 +/- 0.93   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.4:
    * O T HG    LEU   63 - HB2   LEU   63   2.67 +/- 0.19  99.629% * 99.8120% (1.00  10.0 10.00   6.31 242.41) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.30 +/- 0.97   0.362% *  0.0154% (0.15   1.0  1.00   0.02   0.43) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  13.66 +/- 1.31   0.006% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  16.89 +/- 1.05   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.953, support = 6.16, residual support = 242.4:
    * O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.18  82.025% * 63.1462% (1.00  10.0 10.00   6.15 242.41) =  89.062%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.03 +/- 0.32  17.792% * 35.7505% (0.57  10.0 10.00   6.21 242.41) =  10.937%  kept
          QD2   LEU  115 - HB2   LEU   63   7.01 +/- 1.29   0.165% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.88 +/- 0.98   0.007% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  10.68 +/- 1.22   0.009% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  14.98 +/- 1.86   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  15.00 +/- 1.33   0.001% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.686, support = 6.17, residual support = 242.4:
      O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.18  82.018% * 35.9756% (0.57  10.0 10.00   6.15 242.41) =  72.300%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.03 +/- 0.32  17.791% * 63.5438% (1.00  10.0 10.00   6.21 242.41) =  27.700%  kept
          QD2   LEU  115 - HB2   LEU   63   7.01 +/- 1.29   0.165% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.88 +/- 0.98   0.007% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  10.27 +/- 0.87   0.010% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  10.64 +/- 1.07   0.008% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  15.18 +/- 1.27   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  14.98 +/- 1.86   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.4:
    * O T HA    LEU   63 - HB3   LEU   63   2.60 +/- 0.19  99.998% * 99.8862% (1.00  10.0 10.00   5.98 242.41) = 100.000%  kept
          HA2   GLY  101 - HB3   LEU   63  17.39 +/- 0.87   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LEU   63  20.64 +/- 1.44   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.4:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.972% * 99.1997% (1.00  10.0 10.00   6.31 242.41) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.72 +/- 1.00   0.021% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.45 +/- 1.18   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  11.88 +/- 1.08   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  12.02 +/- 1.40   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  13.12 +/- 0.91   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.07 +/- 0.93   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.47 +/- 1.65   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  16.53 +/- 0.74   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  17.59 +/- 1.27   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  18.71 +/- 1.25   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.96 +/- 0.88   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  17.54 +/- 0.85   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.4:
    * O T HG    LEU   63 - HB3   LEU   63   2.93 +/- 0.16  99.431% * 99.8120% (1.00  10.0 10.00   6.00 242.41) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.47 +/- 0.96   0.558% *  0.0154% (0.15   1.0  1.00   0.02   0.43) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  14.78 +/- 1.23   0.007% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  16.87 +/- 1.18   0.003% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.795, support = 5.88, residual support = 242.4:
    * O T QD1   LEU   63 - HB3   LEU   63   2.54 +/- 0.21  38.770% * 63.1462% (1.00  10.0 10.00   5.85 242.41) =  52.843%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.36 +/- 0.38  61.110% * 35.7505% (0.57  10.0 10.00   5.91 242.41) =  47.156%  kept
        T QD1   LEU  104 - HB3   LEU   63   9.49 +/- 1.26   0.017% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.72 +/- 1.37   0.094% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.49 +/- 1.05   0.007% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.23 +/- 1.84   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  15.08 +/- 1.45   0.001% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.885, support = 5.89, residual support = 242.4:
    * O T QD2   LEU   63 - HB3   LEU   63   2.36 +/- 0.38  61.106% * 63.5438% (1.00  10.0 10.00   5.91 242.41) =  73.574%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.54 +/- 0.21  38.767% * 35.9756% (0.57  10.0 10.00   5.85 242.41) =  26.426%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.49 +/- 1.05   0.007% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.72 +/- 1.37   0.094% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63   9.53 +/- 0.91   0.014% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63   9.97 +/- 1.16   0.011% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  15.55 +/- 1.34   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.23 +/- 1.84   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.4:
    * O T HA    LEU   63 - HG    LEU   63   2.68 +/- 0.47  99.998% * 99.8862% (1.00  10.0 10.00   5.98 242.41) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  21.95 +/- 1.29   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  18.75 +/- 0.95   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.4:
    * O T HB2   LEU   63 - HG    LEU   63   2.67 +/- 0.19  99.737% * 99.1997% (1.00  10.0 10.00   6.31 242.41) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   8.16 +/- 1.20   0.176% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  11.37 +/- 1.04   0.026% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.26 +/- 1.82   0.024% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.08 +/- 0.94   0.009% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  15.08 +/- 1.92   0.004% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  14.46 +/- 1.03   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.21 +/- 0.95   0.014% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  16.86 +/- 1.02   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  19.61 +/- 1.54   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.29 +/- 0.94   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.66 +/- 1.45   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  17.62 +/- 1.10   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.4:
    * O T HB3   LEU   63 - HG    LEU   63   2.93 +/- 0.16  96.355% * 99.7424% (1.00  10.0 10.00   6.00 242.41) =  99.998%  kept
          QD1   LEU  123 - HG    LEU   63   6.13 +/- 1.25   2.118% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HG    LEU   63   7.43 +/- 1.25   1.028% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU   63   8.13 +/- 1.34   0.462% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  12.83 +/- 0.96   0.016% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  12.51 +/- 1.19   0.021% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.843, support = 5.63, residual support = 242.4:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.733% * 63.0834% (1.00  10.0 10.00   5.59 242.41) =  63.738%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.975% * 35.7149% (0.57  10.0 10.00   5.70 242.41) =  36.261%  kept
          QD2   LEU  115 - HG    LEU   63   6.21 +/- 1.40   0.283% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  10.19 +/- 1.43   0.006% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.88 +/- 0.89   0.002% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  15.94 +/- 1.15   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.11 +/- 1.97   0.000% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 5.66, residual support = 242.4:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.975% * 63.5438% (1.00  10.0 10.00   5.70 242.41) =  63.963%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.733% * 35.9756% (0.57  10.0 10.00   5.59 242.41) =  36.037%  kept
          QD2   LEU  115 - HG    LEU   63   6.21 +/- 1.40   0.283% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.88 +/- 0.89   0.002% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  10.93 +/- 0.89   0.003% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  11.11 +/- 0.75   0.003% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  16.35 +/- 1.74   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.11 +/- 1.97   0.000% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 242.4:
    *   T HA    LEU   63 - QD1   LEU   63   3.80 +/- 0.17  95.744% * 98.5216% (1.00 10.00   5.61 242.41) =  99.997%  kept
        T HA    LEU   63 - QD1   LEU   73  12.28 +/- 0.66   0.087% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU  104  10.57 +/- 1.40   0.318% *  0.2412% (0.24 10.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU   73   9.22 +/- 1.28   0.667% *  0.0753% (0.76  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.74 +/- 1.23   2.629% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  10.07 +/- 1.70   0.508% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  14.59 +/- 0.56   0.032% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.49 +/- 0.86   0.011% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  20.89 +/- 1.24   0.004% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.08 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 242.4:
    * O T HB2   LEU   63 - QD1   LEU   63   2.22 +/- 0.18  94.245% * 95.2053% (1.00  10.0 10.00   6.15 242.41) =  99.997%  kept
          HB2   LEU   31 - QD1   LEU   73   5.06 +/- 0.39   0.840% *  0.0854% (0.90   1.0  1.00   0.02   3.35) =   0.001%
          HB3   ASP-  44 - QD1   LEU   63   5.41 +/- 0.97   0.721% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.17 +/- 1.01   3.343% *  0.0132% (0.14   1.0  1.00   0.02  16.99) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   8.92 +/- 1.05   0.033% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   6.92 +/- 1.01   0.187% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  10.88 +/- 0.98   0.009% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.88 +/- 0.92   0.241% *  0.0187% (0.20   1.0  1.00   0.02   4.58) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.04 +/- 1.34   0.069% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   8.59 +/- 0.61   0.033% *  0.0933% (0.98   1.0  1.00   0.02   6.68) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  10.68 +/- 1.22   0.012% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.44 +/- 0.69   0.020% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  14.81 +/- 1.22   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.48 +/- 0.88   0.012% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.32 +/- 0.58   0.011% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  10.75 +/- 0.92   0.010% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.54 +/- 0.72   0.035% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.52 +/- 1.44   0.006% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.44 +/- 0.62   0.105% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  11.56 +/- 0.70   0.006% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.06 +/- 1.44   0.015% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  11.42 +/- 0.75   0.006% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.62 +/- 0.78   0.003% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  17.90 +/- 1.81   0.001% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.83 +/- 1.33   0.005% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  14.96 +/- 0.72   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.56 +/- 0.62   0.010% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  14.16 +/- 1.00   0.002% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.80 +/- 0.92   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.05 +/- 0.81   0.004% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.24 +/- 1.13   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.80 +/- 0.50   0.003% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  13.13 +/- 0.87   0.002% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  16.82 +/- 0.97   0.001% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.67 +/- 1.44   0.001% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.85 +/- 1.19   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.50 +/- 1.09   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.46 +/- 1.52   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  14.52 +/- 1.51   0.002% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 242.4:
    * O T HB3   LEU   63 - QD1   LEU   63   2.54 +/- 0.21  91.259% * 98.2083% (1.00  10.0 10.00   5.85 242.41) =  99.996%  kept
          QD1   LEU   71 - QD1   LEU   73   4.86 +/- 0.81   3.702% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   63   6.02 +/- 1.17   2.016% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   6.54 +/- 0.97   0.813% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.50 +/- 0.98   0.658% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.61 +/- 0.68   0.442% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.49 +/- 1.05   0.028% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.49 +/- 1.26   0.059% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.42 +/- 1.09   0.639% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.13 +/- 0.80   0.145% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.32 +/- 0.76   0.051% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.25 +/- 0.98   0.026% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   8.61 +/- 1.13   0.102% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  13.27 +/- 0.62   0.006% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.91 +/- 1.09   0.033% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.56 +/- 1.17   0.005% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.11 +/- 0.99   0.010% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.37 +/- 0.52   0.008% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 242.4:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  97.013% * 96.2195% (1.00  10.0 10.00   5.59 242.41) =  99.994%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.39 +/- 0.83   2.733% *  0.1485% (0.15   1.0 10.00   0.02   0.43) =   0.004%
        T QG2   VAL   24 - QD1   LEU   73   6.37 +/- 0.98   0.197% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.002%
        T HG    LEU   63 - QD1   LEU   73  11.88 +/- 0.89   0.004% *  0.9622% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.19 +/- 1.43   0.013% *  0.2355% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  13.75 +/- 0.78   0.001% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.42 +/- 0.58   0.027% *  0.0363% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.60 +/- 1.06   0.007% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.91 +/- 0.50   0.003% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  14.54 +/- 1.30   0.001% *  0.2273% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  20.64 +/- 0.78   0.000% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.11 +/- 0.75   0.000% *  0.0180% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 242.4:
    *   T HA    LEU   63 - QD2   LEU   63   2.60 +/- 0.44  99.992% * 99.8862% (1.00 10.00   5.72 242.41) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  14.44 +/- 1.30   0.006% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  18.40 +/- 1.15   0.002% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.13 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 242.4:
    * O T HB2   LEU   63 - QD2   LEU   63   3.03 +/- 0.32  98.225% * 98.3391% (1.00  10.0 10.00   6.21 242.41) =  99.998%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.18 +/- 1.05   0.960% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QD2   LEU   63   8.94 +/- 0.89   0.238% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63   9.90 +/- 1.20   0.128% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63   9.95 +/- 1.21   0.106% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  16.32 +/- 1.40   0.005% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  10.75 +/- 1.41   0.080% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.32 +/- 1.25   0.199% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.74 +/- 1.33   0.023% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  14.12 +/- 0.78   0.011% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  15.32 +/- 1.08   0.008% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.09 +/- 1.43   0.006% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.53 +/- 0.97   0.010% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 242.4:
    * O T HB3   LEU   63 - QD2   LEU   63   2.36 +/- 0.38  89.963% * 99.7424% (1.00  10.0 10.00   5.91 242.41) =  99.995%  kept
          QD1   LEU  123 - QD2   LEU   63   4.70 +/- 1.04   7.339% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QD2   LEU   63   5.34 +/- 1.08   2.351% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU   63   7.19 +/- 1.13   0.306% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  10.68 +/- 0.81   0.018% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63   9.91 +/- 1.10   0.022% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.05 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 242.4:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  99.321% * 98.8183% (1.00  10.0 10.00   5.70 242.41) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.28 +/- 0.91   0.673% *  0.1525% (0.15   1.0 10.00   0.02   0.43) =   0.001%
        T QG2   VAL   24 - QD2   LEU   63  14.69 +/- 0.99   0.001% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU   63  11.59 +/- 1.23   0.005% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.8:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.01  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.76) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  15.93 +/- 0.78   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.961, support = 2.04, residual support = 21.9:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.01  85.010% * 72.6945% (1.00  10.0 10.00   2.00  20.76) =  93.793%  kept
        T HB2   PHE   72 - QB    ALA   64   3.13 +/- 0.65  14.990% * 27.2831% (0.38   1.0 10.00   2.57  38.96) =   6.207%  kept
          HB3   ASN   35 - QB    ALA   64  16.30 +/- 1.12   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 163.5:
    * O T QB    LYS+  65 - HA    LYS+  65   2.41 +/- 0.09  98.100% * 99.3780% (0.92  10.0 10.00   6.30 163.49) =  99.999%  kept
          HB3   GLN   17 - HA    LYS+  65   6.23 +/- 1.49   0.956% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    LYS+  65   5.30 +/- 0.12   0.892% *  0.0563% (0.52   1.0  1.00   0.02  25.06) =   0.001%
          HB2   LEU   71 - HA    LYS+  65  12.15 +/- 1.01   0.007% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.22 +/- 1.09   0.003% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   9.75 +/- 1.20   0.031% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  15.52 +/- 0.94   0.002% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  13.71 +/- 1.48   0.004% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  19.17 +/- 1.45   0.000% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  19.86 +/- 1.01   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  19.80 +/- 1.65   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.34 +/- 0.78   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  14.79 +/- 1.15   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.64 +/- 1.73   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.77 +/- 1.33   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.39 +/- 1.46   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.872, support = 5.43, residual support = 171.0:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.42  38.053% * 53.0514% (0.92  10.0 10.00   5.27 163.49) =  93.603%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.63 +/- 0.24  54.747% *  1.4928% (0.03  10.0 10.00   8.24 316.18) =   3.790%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.91 +/- 0.46   6.716% *  5.9339% (0.10   1.0 10.00   7.61 316.18) =   1.848%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.00 +/- 0.39   0.425% * 38.5232% (0.67   1.0 10.00   5.46  25.06) =   0.760%  kept
        T QD    LYS+  66 - HA    LYS+ 121  10.75 +/- 1.54   0.018% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.45 +/- 1.83   0.001% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.65 +/- 0.88   0.005% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.38 +/- 0.86   0.004% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.35 +/- 1.48   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.90 +/- 0.93   0.002% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.14 +/- 1.32   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.08 +/- 1.03   0.004% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.83 +/- 1.03   0.015% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.94 +/- 1.58   0.001% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.81 +/- 1.17   0.006% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.12 +/- 0.90   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.67 +/- 1.52   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.36 +/- 1.13   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.45 +/- 0.53   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.39 +/- 1.05   0.000% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.917, support = 5.28, residual support = 164.5:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.05 +/- 0.70  76.756% * 94.0974% (0.92  10.0 10.00   5.27 163.49) =  99.334%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.24 +/- 0.62  23.017% *  2.1015% (0.02   1.0 10.00   6.72 316.18) =   0.665%  kept
          HB    VAL   42 - HA    LYS+  65  10.08 +/- 0.53   0.084% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.02 +/- 1.43   0.003% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  12.07 +/- 0.73   0.028% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  19.52 +/- 0.93   0.002% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.30 +/- 0.68   0.010% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.25 +/- 1.46   0.010% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  16.87 +/- 1.90   0.006% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.50 +/- 1.75   0.003% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  23.56 +/- 1.12   0.001% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.48 +/- 0.92   0.017% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.58 +/- 1.33   0.003% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  15.70 +/- 0.73   0.006% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.29 +/- 1.32   0.002% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.70 +/- 0.73   0.013% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.50 +/- 1.41   0.003% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.57 +/- 0.86   0.006% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.84 +/- 0.80   0.013% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.80 +/- 0.95   0.003% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.18 +/- 1.41   0.000% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  20.58 +/- 0.65   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.38 +/- 1.03   0.006% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.68 +/- 0.79   0.001% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.61 +/- 1.52   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.86 +/- 1.75   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  22.02 +/- 1.17   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.77 +/- 0.86   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.83, support = 5.15, residual support = 180.9:
    *   T QD    LYS+  65 - HA    LYS+  65   3.06 +/- 0.64  45.747% * 86.8789% (0.92   1.0 10.00   4.75 163.49) =  88.600%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.92 +/- 0.06  52.267% *  9.7826% (0.10  10.0 10.00   8.31 316.18) =  11.398%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.22 +/- 0.51   1.937% *  0.0334% (0.04   1.0 10.00   0.02   2.29) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  15.63 +/- 1.29   0.002% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.71 +/- 0.99   0.006% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.25 +/- 1.04   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.44 +/- 0.65   0.016% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.99 +/- 1.03   0.008% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.38 +/- 1.99   0.004% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.37 +/- 1.15   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.55 +/- 1.36   0.000% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.68 +/- 1.50   0.001% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.22 +/- 1.11   0.002% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.99 +/- 1.49   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  15.94 +/- 1.10   0.002% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  22.99 +/- 1.44   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.15 +/- 1.49   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  22.53 +/- 0.87   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.32 +/- 1.63   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  17.09 +/- 0.82   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.15 +/- 1.42   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.32 +/- 1.15   0.000% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 163.5:
    *   T QE    LYS+  65 - HA    LYS+  65   4.35 +/- 0.17  99.882% * 97.2340% (0.92 10.00   4.75 163.49) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  16.21 +/- 2.01   0.052% *  0.8720% (0.83 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  23.25 +/- 1.11   0.005% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.20 +/- 1.52   0.033% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.55 +/- 1.28   0.005% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  23.04 +/- 1.87   0.005% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  24.35 +/- 0.57   0.003% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.59 +/- 1.05   0.004% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  23.99 +/- 1.24   0.004% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  24.08 +/- 1.31   0.004% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  28.04 +/- 0.89   0.001% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  30.22 +/- 1.43   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 163.5:
    * O T HA    LYS+  65 - QB    LYS+  65   2.41 +/- 0.09  99.682% * 98.7802% (0.92  10.0 10.00   6.30 163.49) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   7.03 +/- 1.29   0.294% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.22 +/- 1.09   0.003% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  10.96 +/- 1.12   0.015% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  13.96 +/- 0.82   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.01 +/- 0.76   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  18.94 +/- 0.76   0.000% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.78 +/- 0.66   0.000% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.36 +/- 0.62   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  23.21 +/- 0.46   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.69 +/- 0.70   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  24.45 +/- 0.70   0.000% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.992, support = 5.56, residual support = 159.5:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.41 +/- 0.13  96.085% * 57.5064% (1.00  10.0 10.00   5.56 163.49) =  97.147%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.60 +/- 0.74   3.886% * 41.7582% (0.73   1.0 10.00   5.33  25.06) =   2.853%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  14.22 +/- 1.60   0.003% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  12.53 +/- 0.66   0.005% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  14.54 +/- 0.85   0.002% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.37 +/- 0.72   0.010% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.01 +/- 0.84   0.004% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  14.21 +/- 1.30   0.003% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.67 +/- 1.38   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.10 +/- 1.46   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 163.5:
    * O T QD    LYS+  65 - QB    LYS+  65   2.13 +/- 0.11  99.968% * 97.4795% (1.00  10.0 10.00   5.04 163.49) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   9.01 +/- 0.59   0.020% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.92 +/- 1.43   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  18.63 +/- 0.88   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.85 +/- 0.59   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.48 +/- 1.23   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.51 +/- 1.07   0.005% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.02 +/- 1.09   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.00 +/- 1.43   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.05 +/- 1.39   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  20.67 +/- 0.73   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 163.5:
    *   T QE    LYS+  65 - QB    LYS+  65   3.15 +/- 0.49  99.987% * 98.8300% (1.00 10.00   5.04 163.49) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.27 +/- 1.65   0.008% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.17 +/- 0.91   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  22.20 +/- 0.49   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  21.88 +/- 0.86   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.07 +/- 1.00   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 163.5:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.85 +/- 0.42  99.405% * 97.8884% (0.92  10.0 10.00   5.27 163.49) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.50 +/- 1.45   0.543% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  13.77 +/- 1.57   0.036% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.14 +/- 1.32   0.005% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.56 +/- 1.03   0.005% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.43 +/- 1.22   0.002% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  20.09 +/- 1.31   0.001% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  20.46 +/- 1.01   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.95 +/- 0.93   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  25.00 +/- 1.00   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  23.25 +/- 1.75   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  26.53 +/- 0.94   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 163.5:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.41 +/- 0.13  97.829% * 99.0387% (1.00  10.0 10.00   5.56 163.49) =  99.995%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.15 +/- 0.83   0.732% *  0.5607% (0.57   1.0 10.00   0.02  25.06) =   0.004%
          HB3   GLN   17 - HG2   LYS+  65   6.70 +/- 2.42   1.432% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HG2   LYS+  65  13.33 +/- 1.54   0.005% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  17.68 +/- 1.48   0.001% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  16.32 +/- 1.33   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  20.71 +/- 0.91   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  20.23 +/- 1.73   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.5:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.29 +/- 0.10  99.968% * 96.4735% (1.00  10.0 10.00   4.44 163.49) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.84 +/- 1.30   0.006% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.08 +/- 1.36   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.68 +/- 0.78   0.020% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  20.75 +/- 1.01   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  14.46 +/- 1.64   0.003% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  22.32 +/- 1.33   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.98 +/- 1.56   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.93 +/- 1.47   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.67 +/- 1.62   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  21.86 +/- 1.52   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.5:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.75 +/- 0.25  99.995% * 98.8300% (1.00  10.0 10.00   4.44 163.49) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  17.17 +/- 2.48   0.003% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  23.41 +/- 2.02   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  23.85 +/- 1.07   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  23.74 +/- 1.70   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.09 +/- 1.73   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 163.5:
    *   T HA    LYS+  65 - QD    LYS+  65   3.06 +/- 0.64  96.534% * 96.9449% (0.92 10.00   4.75 163.49) =  99.998%  kept
          HA2   GLY   16 - QD    LYS+  65   6.71 +/- 1.66   1.708% *  0.1014% (0.97  1.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - QD    LYS+  65  16.37 +/- 1.15   0.008% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.12 +/- 1.43   0.043% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.38 +/- 0.85   0.577% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.12 +/- 1.03   0.730% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  15.38 +/- 1.99   0.013% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.22 +/- 1.11   0.008% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  15.94 +/- 1.10   0.009% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  17.68 +/- 1.50   0.005% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.25 +/- 1.04   0.003% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.40 +/- 0.60   0.111% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  13.73 +/- 1.36   0.022% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  21.55 +/- 1.36   0.001% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.85 +/- 1.04   0.011% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.22 +/- 1.04   0.004% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.58 +/- 1.66   0.025% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.15 +/- 2.43   0.009% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  19.07 +/- 1.10   0.003% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.31 +/- 0.75   0.008% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.35 +/- 1.67   0.036% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  19.22 +/- 1.23   0.004% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  23.99 +/- 1.49   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.73 +/- 1.78   0.010% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.65 +/- 0.95   0.011% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  22.99 +/- 1.44   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.01 +/- 2.32   0.007% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  19.05 +/- 1.04   0.004% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.78 +/- 1.28   0.013% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  18.46 +/- 1.91   0.004% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.10 +/- 1.40   0.018% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  23.87 +/- 0.85   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.93 +/- 1.46   0.011% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.00 +/- 1.38   0.005% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.15 +/- 1.36   0.007% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.68 +/- 1.61   0.003% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  19.73 +/- 1.09   0.002% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  21.22 +/- 2.17   0.002% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  21.10 +/- 1.37   0.002% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  18.02 +/- 2.61   0.007% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.31 +/- 1.33   0.003% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  21.33 +/- 1.59   0.001% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  23.97 +/- 2.18   0.001% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.04 +/- 1.84   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  22.60 +/- 0.98   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.14 +/- 1.63   0.003% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.15 +/- 0.73   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  19.92 +/- 1.24   0.002% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  25.46 +/- 0.78   0.001% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  19.50 +/- 1.81   0.003% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  28.14 +/- 1.53   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.54 +/- 1.55   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  27.25 +/- 1.58   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.91 +/- 1.73   0.001% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.43 +/- 0.83   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.99 +/- 1.61   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.97 +/- 1.13   0.001% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.39 +/- 0.81   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.88 +/- 0.67   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  32.39 +/- 1.37   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.08 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.886, support = 5.0, residual support = 162.9:
    * O T QB    LYS+  65 - QD    LYS+  65   2.13 +/- 0.11  57.121% * 77.3143% (1.00  10.0 10.00   5.04 163.49) =  84.910%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.30 +/- 0.31  40.971% * 19.1545% (0.25  10.0 10.00   4.75 159.89) =  15.089%  kept
          HB3   GLN   17 - QD    LYS+  65   6.11 +/- 2.58   1.565% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD    LYS+  65   6.31 +/- 0.38   0.094% *  0.0438% (0.57   1.0  1.00   0.02  25.06) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   8.23 +/- 1.45   0.028% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.17 +/- 1.43   0.016% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.43 +/- 0.94   0.173% *  0.0049% (0.06   1.0  1.00   0.02  22.39) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.05 +/- 1.14   0.009% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38   9.90 +/- 0.78   0.006% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.21 +/- 1.48   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   9.89 +/- 1.41   0.008% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.14 +/- 1.43   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.13 +/- 1.70   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  19.86 +/- 1.04   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.66 +/- 0.67   0.004% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.63 +/- 0.88   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.00 +/- 1.43   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.02 +/- 1.09   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.17 +/- 1.02   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.05 +/- 1.39   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.55 +/- 1.55   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.25 +/- 1.10   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.67 +/- 0.77   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.07 +/- 1.29   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.06 +/- 1.51   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.79 +/- 1.52   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.43 +/- 1.09   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.17 +/- 1.50   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.39 +/- 1.67   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.70 +/- 1.57   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  21.03 +/- 1.47   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.36 +/- 1.49   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.59 +/- 1.38   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.59 +/- 1.51   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.75 +/- 1.34   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  26.82 +/- 1.41   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.92 +/- 1.86   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  26.34 +/- 1.27   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.82 +/- 1.79   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.89 +/- 1.93   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.5:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.29 +/- 0.10  88.198% * 94.3122% (1.00  10.0 10.00   4.44 163.49) =  99.993%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.24 +/- 0.76   0.326% *  0.6848% (0.73   1.0 10.00   0.02  25.06) =   0.003%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.79 +/- 0.17   4.529% *  0.0409% (0.04  10.0  1.00   0.02 315.24) =   0.002%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.57 +/- 0.27   6.709% *  0.0253% (0.03  10.0  1.00   0.02 315.24) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65  12.52 +/- 1.22   0.004% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  11.54 +/- 1.51   0.007% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.09 +/- 0.78   0.135% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  16.36 +/- 1.60   0.001% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.14 +/- 2.11   0.003% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  14.08 +/- 1.69   0.002% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  13.89 +/- 2.02   0.003% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.36 +/- 1.24   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  14.23 +/- 1.79   0.002% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.48 +/- 0.92   0.045% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.44 +/- 2.39   0.001% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.19 +/- 1.32   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  17.76 +/- 1.43   0.001% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.02 +/- 1.93   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.14 +/- 1.87   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.02 +/- 1.42   0.010% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.49 +/- 0.67   0.011% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  13.95 +/- 1.94   0.003% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.32 +/- 0.97   0.002% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.75 +/- 1.01   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  22.32 +/- 1.33   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  16.91 +/- 1.23   0.001% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.54 +/- 0.90   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.98 +/- 1.56   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.01 +/- 0.35   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.38 +/- 1.30   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.93 +/- 1.47   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  23.27 +/- 1.17   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.36 +/- 1.43   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  20.85 +/- 1.63   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  21.07 +/- 1.45   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.94 +/- 1.76   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  19.93 +/- 1.63   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.00 +/- 1.20   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.28 +/- 2.09   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.02 +/- 0.94   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.61 +/- 1.48   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.31 +/- 1.54   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  25.48 +/- 0.89   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.34 +/- 2.22   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  25.07 +/- 1.05   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.35 +/- 1.13   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  20.30 +/- 1.79   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.02 +/- 1.52   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.68 +/- 1.26   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  25.93 +/- 1.41   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 163.5:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.02  99.920% * 97.0780% (1.00  10.0 10.00   4.00 163.49) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  11.11 +/- 1.44   0.007% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.41 +/- 0.74   0.064% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  16.11 +/- 2.48   0.001% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  15.92 +/- 1.15   0.001% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.67 +/- 1.28   0.004% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  14.41 +/- 2.64   0.002% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.44 +/- 0.93   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.74 +/- 1.78   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.03 +/- 1.14   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.72 +/- 1.67   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  16.43 +/- 2.34   0.001% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  22.31 +/- 1.92   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.56 +/- 0.63   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  23.08 +/- 0.94   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.43 +/- 1.72   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.05 +/- 1.51   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  30.18 +/- 1.78   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  20.13 +/- 1.09   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.83 +/- 1.37   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.82 +/- 1.74   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.01 +/- 1.44   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  25.35 +/- 2.26   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  25.14 +/- 1.49   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  24.69 +/- 1.88   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.20 +/- 1.20   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  31.04 +/- 1.30   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.53 +/- 1.90   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.44 +/- 0.96   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.44 +/- 1.58   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.916, support = 4.74, residual support = 162.2:
    *   T HA    LYS+  65 - QE    LYS+  65   4.35 +/- 0.17  88.264% * 88.0388% (0.92 10.00   4.75 163.49) =  99.173%  kept
        T HA    GLN   32 - QE    LYS+  33   7.04 +/- 0.89   6.627% *  9.7024% (0.10 10.00   3.27  10.96) =   0.821%  kept
          HA2   GLY   16 - QE    LYS+  65   7.88 +/- 1.55   4.476% *  0.0920% (0.97  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  65 - QE    LYS+  33  16.21 +/- 2.01   0.047% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  17.20 +/- 1.52   0.029% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  13.88 +/- 1.84   0.141% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  13.05 +/- 2.52   0.248% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  23.04 +/- 1.87   0.005% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  18.40 +/- 1.24   0.017% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  18.11 +/- 1.18   0.019% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.20 +/- 1.26   0.040% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.66 +/- 1.72   0.005% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  18.33 +/- 1.22   0.018% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.34 +/- 1.10   0.018% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  20.08 +/- 1.51   0.010% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  23.71 +/- 1.00   0.004% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.74 +/- 1.54   0.009% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  23.09 +/- 1.93   0.005% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  22.29 +/- 1.47   0.005% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.33 +/- 1.36   0.004% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.33 +/- 1.00   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.62 +/- 1.50   0.004% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.94 +/- 1.65   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  28.82 +/- 1.58   0.001% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.05 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 163.5:
    *   T QB    LYS+  65 - QE    LYS+  65   3.15 +/- 0.49  89.196% * 98.8024% (1.00 10.00   5.04 163.49) =  99.993%  kept
          HB3   GLN   17 - QE    LYS+  65   6.60 +/- 2.54   7.020% *  0.0599% (0.61  1.00   0.02   0.02) =   0.005%
          HB2   LEU   71 - QE    LYS+  33   7.13 +/- 1.76   2.714% *  0.0507% (0.51  1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - QE    LYS+  65   7.23 +/- 0.71   0.810% *  0.0559% (0.57  1.00   0.02  25.06) =   0.001%
        T QB    LYS+  65 - QE    LYS+  33  16.27 +/- 1.65   0.007% *  0.5079% (0.51 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.02 +/- 1.39   0.165% *  0.0191% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  13.94 +/- 1.38   0.018% *  0.0986% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  13.00 +/- 1.95   0.033% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.17 +/- 1.16   0.009% *  0.0498% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  16.86 +/- 1.63   0.005% *  0.0825% (0.84  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  16.82 +/- 1.25   0.006% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  16.26 +/- 1.51   0.006% *  0.0288% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  20.62 +/- 0.77   0.002% *  0.0968% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.42 +/- 1.34   0.006% *  0.0127% (0.13  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  20.40 +/- 1.62   0.002% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.98 +/- 1.99   0.001% *  0.0424% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.04 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 163.5:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.75 +/- 0.25  97.270% * 98.8048% (1.00  10.0 10.00   4.44 163.49) =  99.998%  kept
          QG2   THR   26 - QE    LYS+  33   6.68 +/- 1.64   1.949% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - QE    LYS+  65   7.17 +/- 1.09   0.662% *  0.0717% (0.73   1.0  1.00   0.02  25.06) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  17.17 +/- 2.48   0.003% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65  12.26 +/- 1.47   0.018% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  14.29 +/- 1.99   0.007% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  11.11 +/- 1.83   0.040% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.79 +/- 1.46   0.010% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  12.23 +/- 1.85   0.021% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  17.08 +/- 1.75   0.002% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.35 +/- 0.90   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  17.92 +/- 1.62   0.002% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  17.14 +/- 1.48   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.63 +/- 1.63   0.003% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.18 +/- 1.37   0.003% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  22.18 +/- 1.94   0.001% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.21 +/- 1.37   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.89 +/- 1.74   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.98 +/- 2.00   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.38 +/- 1.84   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 163.5:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.02  99.957% * 96.2302% (1.00  10.0 10.00   4.00 163.49) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  11.11 +/- 1.44   0.007% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.74 +/- 1.05   0.027% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  16.11 +/- 2.48   0.001% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.80 +/- 1.33   0.004% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  15.92 +/- 1.15   0.001% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.44 +/- 0.93   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.37 +/- 1.47   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.47 +/- 1.87   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.03 +/- 1.14   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  16.51 +/- 1.56   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.36 +/- 1.41   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.74 +/- 1.78   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.72 +/- 1.67   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.87 +/- 1.77   0.000% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  21.12 +/- 1.46   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.81 +/- 1.78   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.22 +/- 1.35   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  30.18 +/- 1.78   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  23.27 +/- 2.19   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.82 +/- 1.74   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.88 +/- 1.92   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.99, residual support = 112.2:
    * O T QB    LYS+  66 - HA    LYS+  66   2.46 +/- 0.08  95.546% * 86.1279% (1.00  10.0 10.00   4.99 112.81) =  99.316%  kept
          QB    LYS+  65 - HA    LYS+  66   4.15 +/- 0.20   4.356% * 13.0006% (0.57   1.0  1.00   5.33  25.06) =   0.684%  kept
          HG    LEU  123 - HA    LYS+  66   8.51 +/- 1.31   0.092% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.65 +/- 0.72   0.004% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.25 +/- 0.81   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  23.31 +/- 0.97   0.000% *  0.4876% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  19.47 +/- 1.43   0.000% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  19.78 +/- 1.54   0.000% *  0.0772% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  18.92 +/- 1.33   0.001% *  0.0592% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.8:
    * O T QG    LYS+  66 - HA    LYS+  66   2.45 +/- 0.28  98.249% * 98.9829% (1.00  10.0 10.00   4.31 112.81) =  99.995%  kept
        T HG    LEU   67 - HA    LYS+  66   5.96 +/- 1.10   0.998% *  0.3715% (0.38   1.0 10.00   0.02  10.12) =   0.004%
          HB3   LEU   67 - HA    LYS+  66   6.12 +/- 0.48   0.641% *  0.0936% (0.95   1.0  1.00   0.02  10.12) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.21 +/- 0.47   0.093% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.60 +/- 0.97   0.008% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  13.91 +/- 1.11   0.004% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.10 +/- 1.54   0.004% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.99 +/- 1.07   0.002% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.21 +/- 1.32   0.001% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  22.10 +/- 1.88   0.000% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  24.22 +/- 1.40   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  24.63 +/- 1.22   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.8:
    *   T QD    LYS+  66 - HA    LYS+  66   2.37 +/- 0.39  99.466% * 98.7926% (1.00 10.00   4.31 112.81) = 100.000%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.29 +/- 0.83   0.513% *  0.0717% (0.73  1.00   0.02  25.06) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  13.84 +/- 1.96   0.007% *  0.7911% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.47 +/- 1.68   0.006% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  16.57 +/- 1.79   0.002% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.69 +/- 0.73   0.002% *  0.0520% (0.53  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  17.61 +/- 0.54   0.001% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  16.60 +/- 0.98   0.001% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  19.60 +/- 1.69   0.001% *  0.0559% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.8:
    *   T QE    LYS+  66 - HA    LYS+  66   3.89 +/- 0.49  98.987% * 99.6609% (1.00 10.00   3.74 112.81) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.32 +/- 1.37   1.008% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  22.87 +/- 0.75   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  23.48 +/- 0.84   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 112.8:
    * O T HA    LYS+  66 - QB    LYS+  66   2.46 +/- 0.08  99.870% * 99.9488% (1.00  10.0 10.00   4.99 112.81) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   7.80 +/- 0.92   0.130% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.71 +/- 0.95   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  23.54 +/- 0.99   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.989, support = 4.31, residual support = 110.9:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.01  94.678% * 71.9610% (1.00  10.0 10.00   4.31 112.81) =  98.162%  kept
        T HG    LEU   67 - QB    LYS+  66   4.54 +/- 1.47   4.723% * 27.0078% (0.38   1.0 10.00   4.12  10.12) =   1.838%  kept
          HB3   LEU   67 - QB    LYS+  66   5.15 +/- 0.50   0.514% *  0.0681% (0.95   1.0  1.00   0.02  10.12) =   0.001%
          QB    ALA   61 - QB    LYS+  66   7.05 +/- 0.39   0.061% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66   9.95 +/- 1.05   0.011% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  10.52 +/- 1.41   0.007% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  18.17 +/- 1.79   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.43 +/- 1.25   0.002% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  12.57 +/- 1.08   0.002% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.81 +/- 1.14   0.001% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  20.54 +/- 1.35   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  20.83 +/- 1.23   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.8:
    * O T QD    LYS+  66 - QB    LYS+  66   2.29 +/- 0.15  99.014% * 98.1588% (1.00  10.0 10.00   4.31 112.81) =  99.993%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.15 +/- 0.83   0.929% *  0.7128% (0.73   1.0 10.00   0.02  25.06) =   0.007%
        T HD2   LYS+ 121 - QB    LYS+  66  10.20 +/- 1.72   0.022% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  66   9.90 +/- 1.50   0.023% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  13.00 +/- 1.70   0.004% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.17 +/- 0.71   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  14.12 +/- 0.88   0.002% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.35 +/- 1.53   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  15.49 +/- 0.56   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 112.8:
    *   T QE    LYS+  66 - QB    LYS+  66   3.10 +/- 0.56  99.748% * 99.6609% (1.00 10.00   3.73 112.81) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.71 +/- 1.36   0.248% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  19.51 +/- 0.85   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.35 +/- 0.88   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.8:
    * O T HA    LYS+  66 - QG    LYS+  66   2.45 +/- 0.28  98.124% * 99.8680% (1.00  10.0 10.00   4.31 112.81) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.96 +/- 1.10   1.002% *  0.0769% (0.08   1.0 10.00   0.02  10.12) =   0.001%
          HA1   GLY   16 - QG    LYS+  66   8.59 +/- 1.12   0.091% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67   6.96 +/- 1.48   0.782% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.28 +/- 1.05   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  24.53 +/- 1.08   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  19.14 +/- 1.12   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  24.79 +/- 1.93   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.31, residual support = 112.3:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.01  91.538% * 85.2566% (1.00  10.0 10.00   4.31 112.81) =  99.461%  kept
          QB    LYS+  65 - QG    LYS+  66   4.04 +/- 0.85   3.264% * 12.8634% (0.57   1.0  1.00   5.33  25.06) =   0.535%  kept
        T QB    LYS+  66 - HG    LEU   67   4.54 +/- 1.47   4.600% *  0.0656% (0.08   1.0 10.00   0.02  10.12) =   0.004%
          HG    LEU  123 - QG    LYS+  66   5.74 +/- 1.21   0.493% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  14.96 +/- 1.04   0.001% *  0.8065% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  11.36 +/- 1.23   0.004% *  0.0621% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  16.66 +/- 1.56   0.000% *  0.5856% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.44 +/- 0.83   0.051% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  10.02 +/- 2.73   0.025% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.35 +/- 0.93   0.001% *  0.0449% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.47 +/- 1.48   0.018% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  14.70 +/- 1.63   0.001% *  0.0451% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.07 +/- 1.66   0.000% *  0.0765% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  16.88 +/- 1.22   0.000% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.14 +/- 1.22   0.000% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  14.82 +/- 1.69   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.92 +/- 1.38   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  23.00 +/- 1.28   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 112.8:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  98.608% * 98.6006% (1.00  10.0 10.00   4.00 112.81) =  99.999%  kept
          HG2   LYS+  65 - QG    LYS+  66   6.12 +/- 1.31   1.145% *  0.0716% (0.73   1.0  1.00   0.02  25.06) =   0.001%
        T QD    LYS+  66 - HG    LEU   67   6.61 +/- 1.17   0.170% *  0.0759% (0.08   1.0 10.00   0.02  10.12) =   0.000%
        T HD2   LYS+ 121 - QG    LYS+  66  10.78 +/- 1.80   0.009% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.47 +/- 1.61   0.010% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  11.94 +/- 3.05   0.010% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.90 +/- 1.04   0.022% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  14.24 +/- 2.76   0.003% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  14.38 +/- 1.69   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  13.97 +/- 1.05   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  11.53 +/- 2.73   0.009% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.39 +/- 1.72   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  12.18 +/- 2.31   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  15.13 +/- 1.03   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.55 +/- 0.67   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  14.11 +/- 2.11   0.002% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.78 +/- 1.77   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  18.96 +/- 2.00   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.4, residual support = 112.8:
    * O T QE    LYS+  66 - QG    LYS+  66   2.15 +/- 0.10  99.840% * 99.5585% (1.00  10.0 10.00   3.40 112.81) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.54 +/- 1.30   0.090% *  0.0766% (0.08   1.0 10.00   0.02  10.12) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  10.96 +/- 1.44   0.014% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   8.23 +/- 1.19   0.055% *  0.0024% (0.02   1.0  1.00   0.02   2.96) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.42 +/- 1.12   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  21.95 +/- 0.98   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  20.44 +/- 2.08   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.71 +/- 1.08   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.8:
    *   T HA    LYS+  66 - QD    LYS+  66   2.37 +/- 0.39  99.871% * 99.8184% (1.00 10.00   4.31 112.81) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   8.83 +/- 1.29   0.119% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  13.84 +/- 1.96   0.008% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.65 +/- 0.97   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  17.85 +/- 2.38   0.002% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  25.68 +/- 1.25   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  24.79 +/- 2.30   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  25.82 +/- 1.20   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.8:
    * O T QB    LYS+  66 - QD    LYS+  66   2.29 +/- 0.15  96.720% * 98.6916% (1.00  10.0 10.00   4.31 112.81) =  99.986%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.60 +/- 0.74   2.319% *  0.5587% (0.57   1.0 10.00   0.02  25.06) =   0.014%
          HG    LEU  123 - QD    LYS+  66   6.13 +/- 1.43   0.871% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  66 - HD2   LYS+ 121  10.20 +/- 1.72   0.021% *  0.1227% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.42 +/- 0.74   0.047% *  0.0069% (0.07   1.0  1.00   0.02   2.29) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.22 +/- 1.60   0.002% *  0.0695% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.92 +/- 0.86   0.002% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.77 +/- 1.03   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.21 +/- 1.84   0.001% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  12.50 +/- 1.62   0.005% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  12.55 +/- 1.72   0.005% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  17.39 +/- 1.53   0.001% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  17.91 +/- 1.46   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.10 +/- 2.12   0.002% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  20.22 +/- 1.72   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  16.08 +/- 1.98   0.001% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.38 +/- 1.87   0.001% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.26 +/- 1.86   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 112.8:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.630% * 98.6304% (1.00  10.0 10.00   4.00 112.81) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   6.61 +/- 1.17   0.170% *  0.3702% (0.38   1.0 10.00   0.02  10.12) =   0.001%
          HB3   LEU   67 - QD    LYS+  66   7.14 +/- 0.66   0.083% *  0.0933% (0.95   1.0  1.00   0.02  10.12) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.85 +/- 0.93   0.054% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  10.78 +/- 1.80   0.009% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121   9.81 +/- 1.24   0.012% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  11.05 +/- 2.12   0.010% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  11.94 +/- 3.05   0.010% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  11.75 +/- 2.02   0.006% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.23 +/- 1.13   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.30 +/- 1.17   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.72 +/- 1.45   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.76 +/- 1.12   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  12.79 +/- 2.41   0.004% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.56 +/- 1.79   0.003% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  20.34 +/- 2.19   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  14.38 +/- 1.25   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.41 +/- 1.99   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  22.75 +/- 1.49   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  17.88 +/- 2.10   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  23.02 +/- 1.50   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.87 +/- 2.49   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  24.28 +/- 1.94   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  24.16 +/- 1.66   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.8:
    * O T QE    LYS+  66 - QD    LYS+  66   2.10 +/- 0.03  99.955% * 99.4957% (1.00  10.0 10.00   3.31 112.81) = 100.000%  kept
          HB2   ASN   69 - QD    LYS+  66  10.81 +/- 1.74   0.036% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HD2   LYS+ 121  11.14 +/- 1.71   0.008% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.41 +/- 1.20   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.52 +/- 0.83   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  17.08 +/- 2.57   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  24.58 +/- 1.45   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  23.33 +/- 2.21   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.8:
    *   T HA    LYS+  66 - QE    LYS+  66   3.89 +/- 0.49  97.925% * 99.7309% (1.00 10.00   3.74 112.81) = 100.000%  kept
          HA1   GLY   16 - QE    LYS+  66  10.22 +/- 1.19   0.423% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASP-  76   7.99 +/- 0.60   1.637% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  22.87 +/- 0.75   0.003% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  23.38 +/- 1.53   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.07 +/- 1.14   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.03 +/- 0.74   0.006% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.35 +/- 0.85   0.002% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.994, support = 3.74, residual support = 111.6:
    *   T QB    LYS+  66 - QE    LYS+  66   3.10 +/- 0.56  81.427% * 87.7640% (1.00 10.00   3.73 112.81) =  98.652%  kept
          QB    LYS+  65 - QE    LYS+  66   5.64 +/- 0.95   8.439% * 11.5107% (0.57  1.00   4.63  25.06) =   1.341%  kept
          HG    LEU  123 - QE    LYS+  66   5.22 +/- 1.36  10.074% *  0.0497% (0.57  1.00   0.02   0.02) =   0.007%
          HG2   PRO   93 - QE    LYS+  66  17.04 +/- 2.09   0.005% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  14.79 +/- 1.25   0.008% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.31 +/- 1.29   0.005% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  19.51 +/- 0.85   0.002% *  0.1825% (0.21 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  17.39 +/- 1.65   0.004% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  15.54 +/- 2.02   0.013% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.00 +/- 1.44   0.003% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  20.01 +/- 1.90   0.002% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  16.84 +/- 1.14   0.005% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  17.35 +/- 1.34   0.004% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.35 +/- 0.82   0.004% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  19.13 +/- 2.28   0.002% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  17.94 +/- 0.70   0.003% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  21.74 +/- 1.09   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.52 +/- 1.09   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (1.44, 2.87, 42.12 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 3.4, residual support = 112.8:
    * O T QG    LYS+  66 - QE    LYS+  66   2.15 +/- 0.10  98.156% * 98.5716% (1.00  10.0 10.00   3.40 112.81) =  99.999%  kept
        T HG    LEU   67 - QE    LYS+  66   7.54 +/- 1.30   0.089% *  0.3700% (0.38   1.0 10.00   0.02  10.12) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   5.56 +/- 1.35   1.036% *  0.0133% (0.13   1.0  1.00   0.02   3.86) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.14 +/- 0.85   0.042% *  0.0932% (0.95   1.0  1.00   0.02  10.12) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.48 +/- 1.08   0.040% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.63 +/- 0.97   0.611% *  0.0036% (0.04   1.0  1.00   0.02   3.86) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  11.34 +/- 2.17   0.008% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.57 +/- 1.55   0.005% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.43 +/- 1.71   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.12 +/- 0.81   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.52 +/- 1.31   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  12.61 +/- 1.10   0.003% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  15.46 +/- 1.24   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.42 +/- 1.12   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.01 +/- 0.89   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  20.37 +/- 2.20   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  20.44 +/- 2.08   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.34 +/- 1.12   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  23.36 +/- 1.47   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.34 +/- 1.40   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.11 +/- 1.39   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.45 +/- 1.27   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  23.58 +/- 1.43   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  24.86 +/- 1.65   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.8:
    * O T QD    LYS+  66 - QE    LYS+  66   2.10 +/- 0.03  99.662% * 98.3437% (1.00  10.0 10.00   3.31 112.81) = 100.000%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  11.14 +/- 1.71   0.008% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  66   7.97 +/- 1.14   0.064% *  0.0714% (0.73   1.0  1.00   0.02  25.06) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   6.62 +/- 1.16   0.185% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  10.69 +/- 1.49   0.010% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.60 +/- 0.69   0.051% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   9.22 +/- 0.68   0.016% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.19 +/- 1.72   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  15.85 +/- 2.17   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.64 +/- 1.11   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.41 +/- 1.20   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  17.97 +/- 0.69   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.86 +/- 0.83   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  24.58 +/- 1.45   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  18.50 +/- 1.89   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  22.64 +/- 1.23   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.99 +/- 0.79   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  25.29 +/- 1.22   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.5:
    * O T HB2   PRO   68 - HA    PRO   68   2.65 +/- 0.17  99.995% * 98.6006% (0.84  10.0 10.00   2.00  35.47) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  15.00 +/- 1.03   0.003% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  24.02 +/- 1.56   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  17.93 +/- 1.17   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.5:
    * O T HA    PRO   68 - HB2   PRO   68   2.65 +/- 0.17 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.47) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  24.02 +/- 1.56   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.6:
    * O T HB2   ASN   69 - HA    ASN   69   2.50 +/- 0.12  99.947% * 99.7955% (1.00  10.0 10.00   3.31  59.57) = 100.000%  kept
          QE    LYS+  66 - HA    ASN   69  11.36 +/- 1.56   0.026% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  11.38 +/- 2.25   0.027% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.10 +/- 0.71   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.73 +/- 0.71   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.6:
    * O T HB3   ASN   69 - HA    ASN   69   2.60 +/- 0.22  99.957% * 99.7714% (1.00  10.0 10.00   3.00  59.57) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69  10.07 +/- 0.89   0.040% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  15.13 +/- 1.17   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.53 +/- 0.65   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.6:
    * O T HA    ASN   69 - HB2   ASN   69   2.50 +/- 0.12  99.998% * 99.8126% (1.00  10.0 10.00   3.31  59.57) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.70 +/- 0.52   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  22.57 +/- 0.78   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.6:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.999% * 99.7714% (1.00  10.0 10.00   3.97  59.57) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.79 +/- 0.81   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.67 +/- 1.16   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  25.02 +/- 0.84   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.6:
    * O T HA    ASN   69 - HB3   ASN   69   2.60 +/- 0.22  99.997% * 99.8126% (1.00  10.0 10.00   3.00  59.57) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.67 +/- 0.89   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  22.54 +/- 0.83   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.6:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.988% * 99.7955% (1.00  10.0 10.00   3.97  59.57) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.22 +/- 2.15   0.009% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.56 +/- 2.84   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  24.74 +/- 0.93   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.32 +/- 0.91   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.2:
    * O T HB    VAL   70 - HA    VAL   70   2.87 +/- 0.29  98.861% * 97.2460% (1.00  10.0 10.00   4.31  81.17) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70   9.59 +/- 1.29   0.120% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HA    VAL   70   9.36 +/- 1.16   0.141% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48   7.68 +/- 1.58   0.711% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  11.08 +/- 1.24   0.039% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  10.20 +/- 0.66   0.060% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  13.11 +/- 0.83   0.013% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  10.78 +/- 0.98   0.042% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  19.20 +/- 1.20   0.001% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  22.73 +/- 1.27   0.000% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  15.08 +/- 1.03   0.005% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  24.70 +/- 1.10   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.17 +/- 0.65   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  24.17 +/- 0.61   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.88 +/- 0.85   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.21 +/- 1.39   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.21 +/- 0.71   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  25.36 +/- 1.37   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  26.64 +/- 1.25   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.84 +/- 1.06   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  32.60 +/- 0.62   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.999, support = 4.86, residual support = 80.6:
    * O T QG1   VAL   70 - HA    VAL   70   2.60 +/- 0.33  94.295% * 80.9702% (1.00  10.0 10.00   4.86  81.17) =  98.813%  kept
          QD1   LEU   71 - HA    VAL   70   4.95 +/- 0.95   5.525% * 16.5968% (0.92   1.0  1.00   4.44  31.98) =   1.187%  kept
        T QG1   VAL   18 - HA    VAL   70   9.66 +/- 0.75   0.060% *  0.7937% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   70   9.35 +/- 0.91   0.058% *  0.0458% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  10.82 +/- 1.48   0.032% *  0.0747% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  12.48 +/- 0.62   0.011% *  0.1808% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.21 +/- 1.11   0.002% *  0.3846% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  12.46 +/- 1.05   0.011% *  0.0491% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  21.23 +/- 1.41   0.001% *  0.3924% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.96 +/- 1.21   0.001% *  0.1845% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.88 +/- 1.13   0.000% *  0.1703% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  17.97 +/- 1.91   0.002% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  20.38 +/- 1.11   0.001% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  19.73 +/- 0.90   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  25.53 +/- 1.23   0.000% *  0.0362% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  23.53 +/- 1.36   0.000% *  0.0222% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  24.38 +/- 1.33   0.000% *  0.0238% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.51 +/- 0.79   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.2:
    * O T QG2   VAL   70 - HA    VAL   70   2.39 +/- 0.18  99.999% * 99.2926% (0.80  10.0 10.00   4.00  81.17) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  19.18 +/- 1.12   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  19.54 +/- 0.54   0.000% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.2:
    * O T HA    VAL   70 - HB    VAL   70   2.87 +/- 0.29  86.211% * 98.3567% (1.00  10.0 10.00   4.31  81.17) =  99.998%  kept
          HA1   GLY   16 - HB    VAL   70   6.52 +/- 2.22   3.476% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QG    GLN   17   5.07 +/- 0.68   4.258% *  0.0125% (0.13   1.0  1.00   0.02  50.08) =   0.001%
          HA1   GLY   16 - QG    GLN   17   4.63 +/- 0.29   5.668% *  0.0036% (0.04   1.0  1.00   0.02  16.50) =   0.000%
        T HA    VAL   70 - QG    GLN   17   9.59 +/- 1.29   0.100% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    VAL   70   8.48 +/- 0.93   0.200% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.41 +/- 0.68   0.042% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  14.87 +/- 1.07   0.006% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.29 +/- 0.59   0.006% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  24.70 +/- 1.10   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.27 +/- 1.99   0.015% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.76 +/- 0.61   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  14.95 +/- 2.16   0.008% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  24.17 +/- 0.61   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  19.20 +/- 1.20   0.001% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  16.58 +/- 1.78   0.003% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  22.73 +/- 1.27   0.000% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  17.56 +/- 1.08   0.002% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 81.2:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.105% * 99.3444% (1.00  10.0 10.00   5.28  81.17) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   70   6.73 +/- 0.92   0.174% *  0.0917% (0.92   1.0  1.00   0.02  31.98) =   0.000%
          HB3   LEU   63 - HB    VAL   70   6.84 +/- 1.01   0.135% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.72 +/- 0.54   0.323% *  0.0181% (0.18   1.0  1.00   0.02  50.08) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   8.41 +/- 0.66   0.030% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70   8.81 +/- 1.37   0.035% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   7.73 +/- 1.83   0.157% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   8.75 +/- 0.90   0.026% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.63 +/- 1.23   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.55 +/- 1.14   0.008% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  12.52 +/- 1.40   0.003% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.76 +/- 1.20   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.2:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  99.966% * 99.8146% (0.80  10.0 10.00   4.31  81.17) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.42 +/- 0.98   0.034% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 81.2:
    * O T HA    VAL   70 - QG1   VAL   70   2.60 +/- 0.33  98.166% * 98.1637% (1.00  10.0 10.00   4.86  81.17) =  99.998%  kept
        T HA    VAL   18 - QG1   VAL   70   8.09 +/- 0.91   0.267% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.002%
          HA1   GLY   16 - QG1   VAL   70   6.03 +/- 1.25   1.455% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.58 +/- 0.80   0.083% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  12.42 +/- 1.10   0.013% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.16 +/- 0.83   0.011% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  21.23 +/- 1.41   0.001% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.33 +/- 0.83   0.003% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.96 +/- 1.21   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.05 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 81.2:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.906% * 98.7774% (1.00  10.0 10.00   5.28  81.17) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   8.41 +/- 0.66   0.031% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   8.67 +/- 1.51   0.043% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.67 +/- 1.11   0.008% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  10.06 +/- 1.01   0.011% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.41 +/- 0.83   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  18.14 +/- 1.27   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.86, residual support = 81.2:
    * O T QG2   VAL   70 - QG1   VAL   70   2.05 +/- 0.06 100.000% *100.0000% (0.80  10.0 10.00   4.86  81.17) = 100.000%  kept
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 4.0, residual support = 81.2:
    * O T HA    VAL   70 - QG2   VAL   70   2.39 +/- 0.18  98.869% * 98.7631% (0.54  10.0 10.00   4.00  81.17) = 100.000%  kept
          HA1   GLY   16 - QG2   VAL   70   6.73 +/- 1.66   0.818% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG2   VAL   70   7.12 +/- 0.81   0.219% *  0.0678% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.13 +/- 0.61   0.072% *  0.0481% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.95 +/- 0.58   0.012% *  0.0857% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  12.53 +/- 0.92   0.006% *  0.0988% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  19.18 +/- 1.12   0.000% *  0.5990% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.58 +/- 0.62   0.003% *  0.0717% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  19.54 +/- 0.54   0.000% *  0.2463% (0.13   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 81.2:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  99.889% * 98.7774% (0.54  10.0 10.00   4.31  81.17) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   8.42 +/- 0.98   0.034% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.87 +/- 0.71   0.021% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.11 +/- 0.94   0.044% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.67 +/- 0.46   0.012% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.56 +/- 0.79   0.000% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.40 +/- 0.67   0.000% *  0.0246% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.86, residual support = 81.2:
    * O T QG1   VAL   70 - QG2   VAL   70   2.05 +/- 0.06  98.110% * 99.6017% (0.54  10.0 10.00   4.86  81.17) =  99.998%  kept
          QD1   LEU   71 - QG2   VAL   70   5.04 +/- 0.74   1.403% *  0.0919% (0.50   1.0  1.00   0.02  31.98) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   5.69 +/- 0.99   0.330% *  0.0564% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   7.20 +/- 1.00   0.073% *  0.0976% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   7.86 +/- 1.28   0.061% *  0.0919% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.52 +/- 0.85   0.023% *  0.0604% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.4:
    * O T HB2   LEU   71 - HA    LEU   71   2.96 +/- 0.10  98.975% * 99.5520% (1.00  10.0 10.00   5.31 139.45) =  99.999%  kept
          HB3   GLN   17 - HA    LEU   71   8.00 +/- 1.38   0.411% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   71   7.79 +/- 1.09   0.441% *  0.0340% (0.34   1.0  1.00   0.02   2.75) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.34 +/- 0.78   0.062% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.02 +/- 0.86   0.093% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.54 +/- 0.95   0.008% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.45 +/- 1.56   0.009% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  20.97 +/- 1.09   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.4:
    * O T HB3   LEU   71 - HA    LEU   71   2.60 +/- 0.13  99.996% * 99.6783% (1.00  10.0 10.00   4.31 139.45) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  14.85 +/- 0.49   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  19.47 +/- 0.83   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  24.36 +/- 1.69   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.30 +/- 1.39   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  25.08 +/- 1.15   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.07, residual support = 136.3:
    *   T QD1   LEU   71 - HA    LEU   71   3.56 +/- 0.40  84.989% * 82.4205% (1.00 10.00   4.06 139.45) =  97.034%  kept
          QG1   VAL   70 - HA    LEU   71   5.25 +/- 0.65  12.346% * 17.3313% (0.92  1.00   4.56  31.98) =   2.964%  kept
          QG1   VAL   18 - HA    LEU   71   6.91 +/- 0.62   2.267% *  0.0688% (0.84  1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    LEU   71   9.58 +/- 1.01   0.318% *  0.0281% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  12.65 +/- 1.35   0.062% *  0.0824% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  15.07 +/- 0.87   0.018% *  0.0688% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.4:
    *   T QD2   LEU   71 - HA    LEU   71   2.02 +/- 0.29  99.221% * 99.6055% (1.00 10.00   5.00 139.45) = 100.000%  kept
          QD1   LEU   67 - HA    LEU   71   6.37 +/- 1.34   0.655% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LEU   71   6.99 +/- 1.18   0.108% *  0.0409% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  11.39 +/- 1.00   0.007% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  12.02 +/- 0.88   0.005% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.52 +/- 1.06   0.002% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.74 +/- 0.56   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.4:
    * O T HA    LEU   71 - HB2   LEU   71   2.96 +/- 0.10  99.794% * 99.9402% (1.00  10.0 10.00   5.31 139.45) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   8.73 +/- 0.56   0.169% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.21 +/- 0.61   0.037% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.4:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00 100.000% * 99.6783% (1.00  10.0 10.00   4.97 139.45) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  14.66 +/- 0.78   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  18.92 +/- 1.05   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  25.91 +/- 1.62   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  24.72 +/- 1.27   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  25.82 +/- 1.22   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.4:
    * O T QD1   LEU   71 - HB2   LEU   71   2.31 +/- 0.14  99.437% * 99.6081% (1.00  10.0 10.00   4.97 139.45) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   5.84 +/- 0.55   0.501% *  0.0919% (0.92   1.0  1.00   0.02  31.98) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   8.50 +/- 0.74   0.047% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  11.10 +/- 1.00   0.010% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.79 +/- 1.41   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  14.24 +/- 1.00   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 139.4:
    * O T QD2   LEU   71 - HB2   LEU   71   3.20 +/- 0.01  95.159% * 99.6055% (1.00  10.0 10.00   5.44 139.45) =  99.998%  kept
          QD2   LEU   40 - HB2   LEU   71   6.23 +/- 1.24   4.034% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB2   LEU   71   7.68 +/- 0.90   0.698% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   71  12.16 +/- 1.11   0.037% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.75 +/- 0.91   0.027% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  13.30 +/- 1.02   0.021% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  12.75 +/- 0.77   0.026% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.4:
    * O T HA    LEU   71 - HB3   LEU   71   2.60 +/- 0.13  99.895% * 99.9402% (1.00  10.0 10.00   4.31 139.45) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.84 +/- 0.75   0.078% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  10.46 +/- 0.95   0.027% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.4:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.877% * 99.3538% (1.00  10.0 10.00   4.97 139.45) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.54 +/- 1.54   0.115% *  0.0339% (0.34   1.0  1.00   0.02   2.75) =   0.000%
          HB3   GLN   17 - HB3   LEU   71   9.94 +/- 1.61   0.005% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.74 +/- 1.71   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.42 +/- 0.76   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.89 +/- 0.97   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.70 +/- 1.24   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.90 +/- 0.88   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 139.4:
    * O T QD1   LEU   71 - HB3   LEU   71   2.60 +/- 0.40  98.797% * 99.6081% (1.00  10.0 10.00   3.75 139.45) =  99.999%  kept
          QG1   VAL   70 - HB3   LEU   71   6.35 +/- 0.72   0.957% *  0.0919% (0.92   1.0  1.00   0.02  31.98) =   0.001%
          QG1   VAL   18 - HB3   LEU   71   8.04 +/- 0.78   0.210% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.26 +/- 0.99   0.024% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  14.08 +/- 1.42   0.008% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  15.13 +/- 1.01   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 139.4:
    * O T QD2   LEU   71 - HB3   LEU   71   2.43 +/- 0.10  99.465% * 99.6055% (1.00  10.0 10.00   4.44 139.45) = 100.000%  kept
          QD2   LEU   40 - HB3   LEU   71   6.97 +/- 1.13   0.357% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.87 +/- 1.19   0.158% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  12.15 +/- 1.13   0.008% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.82 +/- 1.21   0.005% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  13.49 +/- 0.94   0.004% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  13.44 +/- 0.82   0.004% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.06, residual support = 139.4:
    *   T HA    LEU   71 - QD1   LEU   71   3.56 +/- 0.40  98.737% * 99.9402% (1.00 10.00   4.06 139.45) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   8.77 +/- 1.02   0.836% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71   9.64 +/- 1.09   0.427% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.4:
    * O T HB2   LEU   71 - QD1   LEU   71   2.31 +/- 0.14  98.980% * 99.5520% (1.00  10.0 10.00   4.97 139.45) = 100.000%  kept
          HB    VAL   41 - QD1   LEU   71   6.18 +/- 1.29   0.940% *  0.0340% (0.34   1.0  1.00   0.02   2.75) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   9.09 +/- 1.48   0.048% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.74 +/- 1.30   0.008% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.46 +/- 0.94   0.008% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  11.04 +/- 0.96   0.010% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.33 +/- 1.55   0.006% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  19.82 +/- 1.32   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 139.4:
    * O T HB3   LEU   71 - QD1   LEU   71   2.60 +/- 0.40  99.988% * 99.6783% (1.00  10.0 10.00   3.75 139.45) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  13.56 +/- 0.88   0.008% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  17.11 +/- 1.28   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  22.32 +/- 1.52   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  23.24 +/- 1.58   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  23.31 +/- 1.39   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 139.4:
    * O T QD2   LEU   71 - QD1   LEU   71   2.04 +/- 0.07  99.760% * 99.6055% (1.00  10.0 10.00   4.19 139.45) = 100.000%  kept
          QD2   LEU   40 - QD1   LEU   71   6.69 +/- 1.09   0.155% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   7.62 +/- 1.18   0.072% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.38 +/- 1.15   0.004% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.39 +/- 1.01   0.004% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  12.42 +/- 1.21   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  12.03 +/- 0.92   0.003% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.4:
    *   T HA    LEU   71 - QD2   LEU   71   2.02 +/- 0.29  99.718% * 99.9402% (1.00 10.00   5.00 139.45) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   8.53 +/- 0.92   0.243% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   8.40 +/- 0.62   0.040% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 139.4:
    * O T HB2   LEU   71 - QD2   LEU   71   3.20 +/- 0.01  96.012% * 99.3538% (1.00  10.0 10.00   5.44 139.45) =  99.998%  kept
          HB3   GLN   17 - QD2   LEU   71   6.86 +/- 1.35   1.941% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD2   LEU   71   7.38 +/- 1.30   1.720% *  0.0339% (0.34   1.0  1.00   0.02   2.75) =   0.001%
          QB    LYS+  65 - QD2   LEU   71   9.76 +/- 0.93   0.144% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71   9.86 +/- 0.68   0.131% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.27 +/- 1.56   0.024% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  13.04 +/- 1.17   0.025% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  18.97 +/- 1.17   0.002% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 139.4:
    * O T HB3   LEU   71 - QD2   LEU   71   2.43 +/- 0.10  99.995% * 99.2790% (1.00  10.0 10.00   4.44 139.45) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  13.50 +/- 0.71   0.004% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  22.66 +/- 1.18   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  17.23 +/- 1.20   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  22.03 +/- 1.48   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.22 +/- 1.36   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 139.4:
    * O T QD1   LEU   71 - QD2   LEU   71   2.04 +/- 0.07  99.544% * 99.6081% (1.00  10.0 10.00   4.19 139.45) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU   71   5.73 +/- 0.49   0.256% *  0.0919% (0.92   1.0  1.00   0.02  31.98) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.39 +/- 0.76   0.187% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71   9.85 +/- 0.95   0.010% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.02 +/- 1.18   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  14.18 +/- 0.81   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.07, residual support = 89.8:
    * O T HB2   PHE   72 - HA    PHE   72   2.84 +/- 0.21  98.657% * 99.8683% (0.64  10.0 10.00   4.07  89.84) =  99.999%  kept
          HA    ALA   64 - HA    PHE   72   5.91 +/- 0.36   1.316% *  0.0868% (0.55   1.0  1.00   0.02  38.96) =   0.001%
          HB3   ASN   69 - HA    PHE   72  11.32 +/- 0.59   0.027% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.62, residual support = 89.8:
    * O T HB3   PHE   72 - HA    PHE   72   2.88 +/- 0.20  98.727% * 99.4196% (0.66  10.0 10.00   4.62  89.84) =  99.999%  kept
          HB2   ASP-  44 - HA    PHE   72   6.44 +/- 0.52   1.027% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - HA    PHE   72   9.25 +/- 1.52   0.187% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  11.69 +/- 1.22   0.028% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  12.69 +/- 0.75   0.016% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  17.39 +/- 0.90   0.002% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.44 +/- 0.75   0.011% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  18.46 +/- 1.39   0.002% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.07, residual support = 89.8:
    * O T HA    PHE   72 - HB2   PHE   72   2.84 +/- 0.21 100.000% *100.0000% (0.64  10.0 10.00   4.07  89.84) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.25, residual support = 89.8:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.822% * 99.4196% (0.72  10.0 10.00   4.25  89.84) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   5.90 +/- 1.30   0.164% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   8.82 +/- 1.21   0.009% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  10.65 +/- 1.52   0.003% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  12.44 +/- 1.03   0.001% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  17.95 +/- 1.75   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  17.82 +/- 1.30   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.63 +/- 0.84   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.62, residual support = 89.8:
    * O T HA    PHE   72 - HB3   PHE   72   2.88 +/- 0.20 100.000% *100.0000% (0.66  10.0 10.00   4.62  89.84) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 4.25, residual support = 89.8:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.510% * 99.8683% (0.72  10.0 10.00   4.25  89.84) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.49 +/- 0.57   0.489% *  0.0868% (0.63   1.0  1.00   0.02  38.96) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  11.49 +/- 0.95   0.001% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (2.28, 2.28, 40.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   72 - HB3   PHE   72  (0.75)  kept
 
    Peak 827 (5.57, 5.57, 52.40 ppm):
    1 diagonal assignment:
    *     HA    LEU   73 - HA    LEU   73  (1.00)  kept
 
    Peak 828 (1.70, 5.57, 52.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.9:
    * O T HB2   LEU   73 - HA    LEU   73   2.67 +/- 0.32  99.975% * 99.4108% (1.00  10.0 10.00   5.00 170.94) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  14.71 +/- 0.82   0.005% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.58 +/- 0.89   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  14.41 +/- 0.68   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.55 +/- 1.04   0.005% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  18.71 +/- 0.65   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  17.36 +/- 1.24   0.002% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  16.93 +/- 1.46   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.70 +/- 0.86   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.84 +/- 1.21   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.9:
    * O T HB3   LEU   73 - HA    LEU   73   2.62 +/- 0.32  94.030% * 99.1728% (1.00  10.0 10.00   5.00 170.94) =  99.999%  kept
          HB3   LYS+  74 - HA    LEU   73   4.44 +/- 0.38   5.530% *  0.0174% (0.18   1.0  1.00   0.02  41.43) =   0.001%
          HB    VAL   42 - HA    LEU   73   7.00 +/- 0.52   0.321% *  0.0983% (0.99   1.0  1.00   0.02   1.36) =   0.000%
          HG3   LYS+  33 - HA    LEU   73  10.75 +/- 1.15   0.031% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73   9.96 +/- 0.99   0.038% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.96 +/- 1.41   0.009% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.17 +/- 1.11   0.019% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  14.27 +/- 1.55   0.005% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  12.66 +/- 0.45   0.009% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  15.86 +/- 0.83   0.003% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  15.24 +/- 0.99   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  18.61 +/- 1.07   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  22.64 +/- 1.10   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  18.86 +/- 1.33   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.38 +/- 1.56   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.9:
    *   T QD1   LEU   73 - HA    LEU   73   3.82 +/- 0.14  96.959% * 98.2281% (1.00 10.00   5.00 170.94) =  99.993%  kept
        T QD1   LEU   63 - HA    LEU   73   9.48 +/- 0.60   0.473% *  0.9823% (1.00 10.00   0.02   0.02) =   0.005%
          QD2   LEU   80 - HA    LEU   73   8.27 +/- 1.63   1.565% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  13.29 +/- 1.05   0.062% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73  10.15 +/- 0.95   0.364% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73   9.29 +/- 0.77   0.543% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  15.12 +/- 1.57   0.033% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.05 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 170.9:
    *   T QD2   LEU   73 - HA    LEU   73   2.26 +/- 0.47  99.024% * 99.4036% (1.00 10.00   6.22 170.94) = 100.000%  kept
          QG1   VAL   43 - HA    LEU   73   5.79 +/- 0.74   0.768% *  0.0276% (0.28  1.00   0.02   7.61) =   0.000%
          QG1   VAL   41 - HA    LEU   73   7.57 +/- 0.99   0.155% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LEU   73   8.84 +/- 0.41   0.049% *  0.0959% (0.97  1.00   0.02   3.35) =   0.000%
          QD1   ILE   56 - HA    LEU   73  15.06 +/- 0.63   0.003% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.96 +/- 1.00   0.000% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.9:
    * O T HA    LEU   73 - HB2   LEU   73   2.67 +/- 0.32 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.94) = 100.000%  kept
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.9:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.838% * 95.5463% (1.00  10.0 10.00   5.00 170.94) = 100.000%  kept
        T HG3   LYS+  33 - HB2   LEU   73  10.53 +/- 1.21   0.003% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   LEU   73   7.26 +/- 0.91   0.027% *  0.0947% (0.99   1.0  1.00   0.02   1.36) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.69 +/- 0.57   0.104% *  0.0167% (0.18   1.0  1.00   0.02  41.43) =   0.000%
          QB    LEU   98 - HB2   LEU   73   8.55 +/- 1.54   0.015% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.54 +/- 1.28   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  15.02 +/- 1.21   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73   9.43 +/- 1.69   0.009% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  16.99 +/- 1.52   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  15.05 +/- 1.09   0.000% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  11.39 +/- 0.59   0.001% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  15.64 +/- 1.89   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.97 +/- 0.94   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.02 +/- 1.76   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.53 +/- 1.55   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.9:
    * O T QD1   LEU   73 - HB2   LEU   73   2.50 +/- 0.30  99.257% * 98.2281% (1.00  10.0 10.00   5.00 170.94) =  99.999%  kept
          QD2   LEU   80 - HB2   LEU   73   7.03 +/- 1.61   0.464% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB2   LEU   73   9.85 +/- 0.92   0.033% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  12.65 +/- 1.43   0.008% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   7.57 +/- 0.86   0.211% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  10.66 +/- 1.10   0.024% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  15.50 +/- 1.73   0.003% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 6.18, residual support = 169.8:
    * O T QD2   LEU   73 - HB2   LEU   73   2.93 +/- 0.29  73.379% * 96.6522% (1.00  10.0 10.00   6.22 170.94) =  99.281%  kept
          QG1   VAL   43 - HB2   LEU   73   4.12 +/- 1.18  25.450% *  2.0147% (0.28   1.0  1.00   1.50   7.61) =   0.718%  kept
          HG    LEU   31 - HB2   LEU   73   6.94 +/- 0.48   0.475% *  0.0933% (0.97   1.0  1.00   0.02   3.35) =   0.001%
          QG1   VAL   41 - HB2   LEU   73   6.70 +/- 1.11   0.691% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  15.44 +/- 0.72   0.004% *  0.8668% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  19.59 +/- 1.39   0.001% *  0.3297% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 170.9:
    * O T HA    LEU   73 - HB3   LEU   73   2.62 +/- 0.32 100.000% *100.0000% (1.00  10.0 10.00   5.00 170.94) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.9:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.998% * 98.2609% (1.00  10.0 10.00   5.00 170.94) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  15.51 +/- 1.71   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.47 +/- 1.50   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.32 +/- 0.90   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  23.67 +/- 1.12   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  13.90 +/- 1.20   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  14.86 +/- 0.85   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  17.24 +/- 1.29   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  18.20 +/- 0.89   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.46 +/- 0.91   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 170.9:
    * O T QD1   LEU   73 - HB3   LEU   73   2.26 +/- 0.21  99.432% * 97.5376% (1.00  10.0 10.00   4.95 170.94) =  99.997%  kept
        T QD2   LEU   80 - HB3   LEU   73   6.91 +/- 1.78   0.382% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HB3   LEU   73   9.99 +/- 0.50   0.017% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   7.46 +/- 1.00   0.152% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  12.77 +/- 1.20   0.004% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.78 +/- 0.92   0.011% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  15.64 +/- 1.66   0.001% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.21, residual support = 170.8:
    * O T QD2   LEU   73 - HB3   LEU   73   2.84 +/- 0.30  79.687% * 99.1570% (1.00  10.0 10.00   6.22 170.94) =  99.932%  kept
        T QG1   VAL   43 - HB3   LEU   73   4.25 +/- 1.09  19.121% *  0.2757% (0.28   1.0 10.00   0.02   7.61) =   0.067%
          HG    LEU   31 - HB3   LEU   73   6.81 +/- 0.51   0.495% *  0.0957% (0.97   1.0  1.00   0.02   3.35) =   0.001%
          QG1   VAL   41 - HB3   LEU   73   6.74 +/- 0.90   0.693% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.77 +/- 1.15   0.001% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  15.57 +/- 0.79   0.003% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.9:
    *   T HA    LEU   73 - QD1   LEU   73   3.82 +/- 0.14  99.450% * 98.7705% (1.00 10.00   5.00 170.94) =  99.995%  kept
        T HA    LEU   73 - QD1   LEU   63   9.48 +/- 0.60   0.486% *  0.9877% (1.00 10.00   0.02   0.02) =   0.005%
        T HA    LEU   73 - QD1   LEU  104  13.29 +/- 1.05   0.063% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (1.70, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.933, support = 4.74, residual support = 159.1:
    * O T HB2   LEU   73 - QD1   LEU   73   2.50 +/- 0.30  25.120% * 92.1261% (1.00  10.0 10.00   5.00 170.94) =  92.337%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.59 +/- 1.01  30.106% *  3.7245% (0.05   1.0 10.00   1.48  16.99) =   4.474%  kept
          QD    LYS+  99 - QD1   LEU  104   2.47 +/- 1.36  44.330% *  1.8028% (0.23   1.0  1.00   1.73  16.99) =   3.189%  kept
          QG1   ILE   56 - QD1   LEU   63   5.51 +/- 0.72   0.242% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63   9.85 +/- 0.92   0.007% *  0.9213% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.11 +/- 0.91   0.080% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   8.68 +/- 0.62   0.012% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   9.08 +/- 1.05   0.012% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   9.38 +/- 1.26   0.011% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63   9.93 +/- 0.83   0.006% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   7.09 +/- 0.78   0.042% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.65 +/- 1.43   0.002% *  0.2255% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  10.77 +/- 0.76   0.003% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.64 +/- 1.03   0.002% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  11.99 +/- 0.99   0.002% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  11.95 +/- 1.28   0.002% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63   9.98 +/- 0.75   0.005% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  11.50 +/- 1.37   0.003% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  10.31 +/- 0.90   0.004% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  10.72 +/- 1.29   0.004% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  13.39 +/- 0.90   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  13.65 +/- 0.70   0.001% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  16.54 +/- 0.48   0.000% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.87 +/- 1.10   0.000% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.07 +/- 0.89   0.000% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.20 +/- 0.74   0.001% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.75 +/- 1.10   0.000% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.75 +/- 1.16   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  16.66 +/- 1.25   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.14 +/- 0.98   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 170.9:
    * O T HB3   LEU   73 - QD1   LEU   73   2.26 +/- 0.21  92.825% * 96.9771% (1.00  10.0 10.00   4.95 170.94) =  99.997%  kept
          HB    VAL   42 - QD1   LEU   63   5.36 +/- 0.82   1.058% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD1   LEU  104   5.47 +/- 0.88   2.938% *  0.0089% (0.09   1.0  1.00   0.02   4.58) =   0.000%
          HB    VAL   42 - QD1   LEU   73   6.25 +/- 0.67   0.249% *  0.0961% (0.99   1.0  1.00   0.02   1.36) =   0.000%
          QB    LEU   98 - QD1   LEU   73   5.92 +/- 0.76   0.519% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   6.92 +/- 1.09   0.176% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU   63   9.99 +/- 0.50   0.015% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   6.92 +/- 1.01   0.211% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   7.17 +/- 0.88   0.153% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.54 +/- 0.72   0.039% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   6.84 +/- 2.02   0.952% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.81 +/- 0.55   0.034% *  0.0961% (0.99   1.0  1.00   0.02   1.47) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.04 +/- 1.34   0.088% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.76 +/- 0.22   0.149% *  0.0170% (0.18   1.0  1.00   0.02  41.43) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.44 +/- 0.62   0.092% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.08 +/- 0.98   0.072% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.88 +/- 0.92   0.221% *  0.0059% (0.06   1.0  1.00   0.02   4.58) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.60 +/- 1.02   0.012% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   8.94 +/- 0.59   0.028% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.77 +/- 1.20   0.004% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.36 +/- 1.16   0.055% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.44 +/- 0.69   0.021% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.32 +/- 0.58   0.013% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.05 +/- 0.81   0.005% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  12.60 +/- 1.09   0.004% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  12.75 +/- 1.59   0.004% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.48 +/- 0.88   0.013% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.78 +/- 1.07   0.002% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.46 +/- 0.66   0.011% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  14.74 +/- 0.91   0.002% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.62 +/- 0.78   0.004% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.77 +/- 0.75   0.001% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.06 +/- 1.44   0.020% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  14.16 +/- 1.00   0.002% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  14.08 +/- 1.13   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.73 +/- 0.91   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  15.75 +/- 1.28   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  20.57 +/- 0.98   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.24 +/- 1.13   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.87 +/- 1.68   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.77 +/- 0.79   0.000% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.67 +/- 1.44   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.50 +/- 1.09   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  17.95 +/- 1.44   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.12 +/- 1.10   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 170.9:
    * O T QD2   LEU   73 - QD1   LEU   73   1.99 +/- 0.06  85.245% * 96.6209% (1.00  10.0 10.00   6.22 170.94) =  99.976%  kept
        T QG1   VAL   41 - QD1   LEU   73   3.92 +/- 0.89   3.471% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.018%
          QG1   VAL   43 - QD1   LEU   73   3.17 +/- 0.57   8.525% *  0.0269% (0.28   1.0  1.00   0.02   7.61) =   0.003%
          HG    LEU   31 - QD1   LEU   73   3.78 +/- 0.40   2.273% *  0.0932% (0.97   1.0  1.00   0.02   3.35) =   0.003%
        T QD2   LEU   73 - QD1   LEU   63   8.13 +/- 0.84   0.025% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   6.50 +/- 1.35   0.143% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   63   6.24 +/- 0.75   0.116% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.72 +/- 0.74   0.083% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.94 +/- 1.04   0.014% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.11 +/- 0.68   0.011% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.79 +/- 0.94   0.008% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.17 +/- 0.51   0.045% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.82 +/- 0.92   0.034% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  16.24 +/- 1.00   0.000% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  13.38 +/- 0.80   0.001% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.03 +/- 1.44   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  14.17 +/- 0.64   0.001% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.33 +/- 0.90   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 170.9:
    *   T HA    LEU   73 - QD2   LEU   73   2.26 +/- 0.47 100.000% * 99.6602% (1.00 10.00   6.22 170.94) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.96 +/- 1.00   0.000% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.05 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 170.9:
    * O T HB2   LEU   73 - QD2   LEU   73   2.93 +/- 0.29  99.074% * 98.3218% (1.00  10.0 10.00   6.22 170.94) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.22 +/- 0.56   0.238% *  0.2169% (0.22   1.0 10.00   0.02   2.29) =   0.001%
          QD    LYS+  99 - HG3   LYS+ 121   9.04 +/- 1.52   0.240% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  12.89 +/- 0.98   0.020% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.70 +/- 0.67   0.054% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.48 +/- 0.90   0.108% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.60 +/- 1.08   0.023% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.25 +/- 0.86   0.014% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.40 +/- 0.71   0.062% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.57 +/- 0.96   0.020% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  10.16 +/- 1.29   0.096% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  19.59 +/- 1.39   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  15.61 +/- 1.49   0.007% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  16.67 +/- 1.20   0.004% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.24 +/- 1.65   0.022% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.83 +/- 0.92   0.004% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.35 +/- 1.26   0.006% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  20.47 +/- 1.58   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.57 +/- 1.90   0.003% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.51 +/- 1.50   0.002% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.919, support = 6.2, residual support = 183.3:
    * O T HB3   LEU   73 - QD2   LEU   73   2.84 +/- 0.30  35.256% * 93.5851% (1.00  10.0 10.00   6.22 170.94) =  91.488%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.55 +/- 0.27  62.308% *  4.9240% (0.05  10.0 10.00   5.98 316.18) =   8.507%  kept
          HB    VAL   42 - QD2   LEU   73   5.01 +/- 0.49   1.272% *  0.0928% (0.99   1.0  1.00   0.02   1.36) =   0.003%
          HG3   LYS+  33 - QD2   LEU   73   7.02 +/- 1.40   0.302% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   73   5.87 +/- 0.38   0.458% *  0.0164% (0.18   1.0  1.00   0.02  41.43) =   0.000%
          QB    LEU   98 - QD2   LEU   73   6.83 +/- 0.78   0.212% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.07 +/- 1.04   0.079% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   9.60 +/- 0.99   0.031% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  11.56 +/- 1.68   0.013% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.63 +/- 0.98   0.008% *  0.0928% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.63 +/- 1.10   0.005% *  0.0864% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  11.35 +/- 0.99   0.010% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  13.72 +/- 0.84   0.003% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.48 +/- 1.61   0.001% *  0.1444% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  13.25 +/- 0.93   0.004% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  13.85 +/- 1.44   0.003% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.77 +/- 1.15   0.000% *  0.3191% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121  10.17 +/- 0.72   0.018% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.57 +/- 1.67   0.003% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  12.21 +/- 0.88   0.006% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.06 +/- 0.88   0.001% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.72 +/- 1.24   0.000% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.08 +/- 1.24   0.002% *  0.0164% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.43 +/- 1.07   0.003% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.98 +/- 1.52   0.000% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.88 +/- 1.59   0.001% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.46 +/- 1.08   0.000% *  0.0308% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  20.55 +/- 1.24   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.39 +/- 2.06   0.000% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  22.31 +/- 1.19   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 170.9:
    * O T QD1   LEU   73 - QD2   LEU   73   1.99 +/- 0.06  99.585% * 97.3141% (1.00  10.0 10.00   6.22 170.94) =  99.999%  kept
        T QD1   LEU  104 - HG3   LYS+ 121   6.50 +/- 1.35   0.169% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU   73   8.13 +/- 0.84   0.030% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.55 +/- 1.60   0.075% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   8.94 +/- 1.04   0.017% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.79 +/- 0.94   0.010% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.42 +/- 1.03   0.024% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   8.26 +/- 1.34   0.039% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   7.91 +/- 1.00   0.041% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.79 +/- 0.68   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  13.09 +/- 1.46   0.002% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  16.24 +/- 1.00   0.000% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  20.93 +/- 2.01   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  19.31 +/- 1.21   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.7:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.68 +/- 0.12  99.800% * 99.4757% (0.64  10.0 10.00   6.31 187.75) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.02 +/- 0.43   0.152% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  12.36 +/- 1.57   0.014% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.55 +/- 0.66   0.004% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  13.17 +/- 1.93   0.012% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  15.61 +/- 1.42   0.003% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.55 +/- 1.20   0.007% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.24 +/- 0.45   0.001% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.27 +/- 0.72   0.005% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.31 +/- 1.44   0.001% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.03 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.7:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.40 +/- 0.29  99.871% * 99.1206% (0.80  10.0 10.00   6.28 187.75) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.87 +/- 0.73   0.059% *  0.0915% (0.74   1.0  1.00   0.02   8.15) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.50 +/- 1.29   0.013% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   9.56 +/- 1.20   0.034% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  11.76 +/- 0.70   0.010% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.32 +/- 0.70   0.007% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  13.79 +/- 0.48   0.004% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  19.72 +/- 0.83   0.000% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  17.84 +/- 1.10   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.73 +/- 1.05   0.000% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.786, support = 5.56, residual support = 183.5:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.55 +/- 0.10  73.387% * 92.2590% (0.80  10.0 10.00   5.57 187.75) =  97.272%  kept
          HB    VAL   75 - HA    LYS+  74   4.25 +/- 0.22  25.885% *  7.3324% (0.25   1.0  1.00   5.15  31.68) =   2.727%  kept
          QD1   LEU   67 - HA    LYS+  74  10.46 +/- 1.42   0.215% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    LYS+  74   9.26 +/- 0.75   0.277% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  10.92 +/- 1.21   0.116% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  12.45 +/- 1.66   0.054% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.16 +/- 0.94   0.031% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  12.86 +/- 0.69   0.035% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.40 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.7:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.72 +/- 0.55  99.801% * 99.2156% (0.80 10.00   5.91 187.75) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.90 +/- 0.93   0.080% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74   9.77 +/- 0.61   0.082% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  12.67 +/- 1.34   0.023% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.69 +/- 1.01   0.009% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.23 +/- 0.69   0.001% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  18.00 +/- 0.91   0.002% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  21.44 +/- 1.05   0.001% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.20 +/- 1.00   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.14 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.7:
    *   T QE    LYS+  74 - HA    LYS+  74   2.76 +/- 0.56  98.693% * 99.7560% (0.80 10.00   4.93 187.75) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   6.35 +/- 0.78   1.243% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  11.29 +/- 0.60   0.037% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.87 +/- 0.60   0.025% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.71 +/- 0.59   0.002% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 1 structures by 0.27 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.7:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.68 +/- 0.12  99.990% * 99.8966% (0.64  10.0 10.00   6.31 187.75) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  13.40 +/- 0.59   0.007% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  15.52 +/- 1.06   0.003% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.7:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.02  99.508% * 99.1206% (0.80  10.0 10.00   5.85 187.75) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.30 +/- 1.12   0.352% *  0.0915% (0.74   1.0  1.00   0.02   8.15) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  12.05 +/- 1.49   0.036% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  10.58 +/- 1.17   0.065% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  13.16 +/- 1.00   0.016% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  13.60 +/- 0.72   0.013% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  14.89 +/- 0.73   0.007% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  21.42 +/- 0.90   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.74 +/- 1.33   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.07 +/- 1.31   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.12 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.7:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.65 +/- 0.09  99.003% * 97.9320% (0.80  10.0 10.00   5.27 187.75) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  11.47 +/- 2.14   0.047% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  74   6.02 +/- 0.52   0.868% *  0.0302% (0.25   1.0  1.00   0.02  31.68) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  12.53 +/- 1.37   0.012% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.47 +/- 0.98   0.058% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.23 +/- 1.03   0.003% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.44 +/- 1.70   0.005% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.08 +/- 0.80   0.005% *  0.0368% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.7:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.49 +/- 0.42  99.905% * 97.4681% (0.80  10.0 10.00   6.31 187.75) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  12.52 +/- 1.22   0.010% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74   9.97 +/- 1.07   0.054% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  10.85 +/- 0.79   0.022% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.82 +/- 1.11   0.007% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  20.07 +/- 1.12   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  23.27 +/- 1.17   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.54 +/- 0.90   0.001% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.68 +/- 1.15   0.000% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.7:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.74 +/- 0.67  99.273% * 99.7560% (0.80 10.00   4.62 187.75) = 100.000%  kept
          HB2   PHE   72 - HB2   LYS+  74   7.20 +/- 0.94   0.626% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   LYS+  74  11.02 +/- 0.89   0.045% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  11.17 +/- 1.16   0.054% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  18.46 +/- 1.17   0.002% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.7:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.40 +/- 0.29  99.921% * 99.7790% (0.80  10.0 10.00   6.28 187.75) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  12.14 +/- 0.49   0.007% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   9.82 +/- 0.87   0.035% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  14.30 +/- 1.25   0.004% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  10.12 +/- 1.50   0.033% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  19.72 +/- 0.83   0.000% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.7:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.02  98.918% * 99.3145% (0.80  10.0 10.00   5.85 187.75) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   8.60 +/- 0.64   0.211% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  11.65 +/- 2.68   0.063% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.92 +/- 1.37   0.269% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.02 +/- 0.95   0.448% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  15.75 +/- 1.32   0.006% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.62 +/- 1.82   0.007% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  13.58 +/- 1.89   0.018% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.54 +/- 1.11   0.003% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  14.85 +/- 1.75   0.009% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.46 +/- 1.09   0.009% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.38 +/- 0.51   0.022% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.13 +/- 2.03   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  21.42 +/- 0.90   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.46 +/- 1.82   0.011% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.55 +/- 1.36   0.000% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.39 +/- 1.62   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.28 +/- 1.82   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  24.19 +/- 0.75   0.000% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.89 +/- 1.26   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.24 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.7:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.857% * 99.3075% (1.00  10.0 10.00   4.54 187.75) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.66 +/- 0.79   0.131% *  0.0307% (0.31   1.0  1.00   0.02  31.68) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74   9.82 +/- 1.25   0.005% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  10.91 +/- 1.57   0.003% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.03 +/- 1.57   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.50 +/- 0.87   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  13.94 +/- 1.58   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  12.98 +/- 1.29   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  20.95 +/- 1.00   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.36 +/- 1.11   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.45 +/- 0.82   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  22.66 +/- 1.18   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.07 +/- 1.80   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  16.27 +/- 1.20   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.67 +/- 1.09   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.73 +/- 1.15   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.946, support = 5.53, residual support = 195.3:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.75 +/- 0.25  58.525% * 89.4618% (1.00  10.0 10.00   5.54 187.75) =  94.065%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.91 +/- 0.11  41.364% *  7.9861% (0.09  10.0 10.00   5.40 315.24) =   5.935%  kept
        T QD    LYS+  65 - HG2   LYS+  74  11.95 +/- 2.29   0.017% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   9.02 +/- 1.01   0.058% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.57 +/- 1.35   0.003% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.13 +/- 1.22   0.017% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  21.79 +/- 1.22   0.000% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  20.55 +/- 1.15   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.09 +/- 1.15   0.009% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.31 +/- 1.14   0.000% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.80 +/- 1.43   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.42 +/- 1.84   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.73 +/- 1.06   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.52 +/- 1.59   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.18 +/- 0.95   0.001% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.94 +/- 1.10   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.09 +/- 1.05   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.08 +/- 1.19   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.7:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.75 +/- 0.64  98.026% * 99.6238% (1.00  10.0 10.00   4.54 187.75) =  99.999%  kept
          HB2   PHE   72 - HG2   LYS+  74   6.82 +/- 1.76   1.801% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HG2   LYS+  74  10.35 +/- 1.03   0.090% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  11.41 +/- 1.59   0.070% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  16.83 +/- 1.34   0.003% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  18.23 +/- 1.50   0.002% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  14.77 +/- 0.88   0.007% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  21.18 +/- 1.54   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  22.92 +/- 1.53   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  28.04 +/- 1.71   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.7:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.55 +/- 0.10  99.945% * 99.8966% (0.80  10.0 10.00   5.57 187.75) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  13.49 +/- 0.53   0.035% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  15.16 +/- 1.16   0.020% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.7:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.65 +/- 0.09  99.843% * 98.5261% (0.80  10.0 10.00   5.27 187.75) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   8.50 +/- 0.68   0.107% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  16.43 +/- 1.64   0.002% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  11.41 +/- 2.50   0.032% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  15.96 +/- 1.51   0.003% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  14.14 +/- 1.99   0.007% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  16.74 +/- 1.00   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.28 +/- 0.90   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.41 +/- 0.99   0.003% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.34 +/- 1.87   0.001% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.7:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.985% * 99.1206% (1.00  10.0 10.00   4.54 187.75) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   8.69 +/- 1.04   0.009% *  0.0915% (0.92   1.0  1.00   0.02   8.15) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  12.81 +/- 1.69   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   9.94 +/- 1.18   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.71 +/- 0.97   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  14.34 +/- 0.99   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  14.99 +/- 0.73   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  20.95 +/- 1.00   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.45 +/- 1.38   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  23.08 +/- 1.01   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.7:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.90 +/- 0.14  99.756% * 99.2156% (1.00  10.0 10.00   4.97 187.75) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  74   8.90 +/- 1.04   0.171% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  11.59 +/- 2.14   0.041% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  12.17 +/- 1.00   0.022% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  14.78 +/- 1.24   0.007% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  21.40 +/- 0.95   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.97 +/- 1.27   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  22.88 +/- 1.26   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.25 +/- 1.28   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.7:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.90 +/- 0.46  98.959% * 99.7560% (1.00  10.0 10.00   4.00 187.75) = 100.000%  kept
          HB2   PHE   72 - HG3   LYS+  74   7.39 +/- 1.27   0.918% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+  74  10.18 +/- 1.01   0.077% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  11.35 +/- 1.28   0.044% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  18.59 +/- 1.24   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.7:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.72 +/- 0.55  99.968% * 99.6012% (0.80 10.00   5.91 187.75) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.65 +/- 1.16   0.021% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.23 +/- 0.69   0.001% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  13.66 +/- 1.23   0.009% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.02 +/- 0.63   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.92 +/- 0.76   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.7:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.49 +/- 0.42  99.686% * 98.0482% (0.80  10.0 10.00   6.31 187.75) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.84 +/- 1.30   0.014% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   9.28 +/- 0.45   0.054% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.48 +/- 0.92   0.138% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.13 +/- 1.87   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  13.84 +/- 2.74   0.016% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  15.17 +/- 1.66   0.006% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.36 +/- 0.75   0.058% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  16.28 +/- 1.19   0.002% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  14.00 +/- 1.29   0.008% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.44 +/- 2.39   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.40 +/- 0.95   0.002% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.54 +/- 0.90   0.001% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  15.33 +/- 1.75   0.004% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.75 +/- 1.01   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.01 +/- 0.35   0.003% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.77 +/- 1.13   0.004% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  17.59 +/- 1.28   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  23.64 +/- 1.35   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  22.86 +/- 0.97   0.000% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.25 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 5.53, residual support = 192.1:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.75 +/- 0.25  30.650% * 90.7641% (1.00  10.0 10.00   5.54 187.75) =  85.600%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.16  68.926% *  6.7893% (0.07  10.0 10.00   5.42 217.82) =  14.399%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.55 +/- 0.75   0.213% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  38   6.80 +/- 0.45   0.138% *  0.0121% (0.13   1.0  1.00   0.02  22.87) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.72 +/- 1.13   0.020% *  0.0838% (0.92   1.0  1.00   0.02   8.15) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.78 +/- 1.28   0.034% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  13.22 +/- 1.68   0.003% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.77 +/- 1.61   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.50 +/- 1.13   0.007% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  12.71 +/- 0.97   0.003% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.55 +/- 0.95   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.80 +/- 1.05   0.002% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  19.31 +/- 1.14   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.55 +/- 1.15   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.88 +/- 1.40   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.74 +/- 1.15   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.09 +/- 1.05   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.27 +/- 0.89   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.91 +/- 1.05   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.41 +/- 1.11   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.7:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.90 +/- 0.14  96.595% * 99.2094% (1.00  10.0 10.00   4.97 187.75) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   5.72 +/- 0.82   2.727% *  0.0306% (0.31   1.0  1.00   0.02  31.68) =   0.001%
          QD1   LEU   67 - HD2   LYS+  74  11.06 +/- 2.19   0.140% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   8.09 +/- 0.97   0.308% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.49 +/- 0.93   0.054% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  12.40 +/- 1.42   0.023% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  14.59 +/- 1.42   0.008% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.12 +/- 1.98   0.012% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  10.71 +/- 0.73   0.041% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  12.90 +/- 0.98   0.015% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.03 +/- 0.98   0.023% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.02 +/- 0.61   0.020% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  11.53 +/- 0.88   0.029% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  21.40 +/- 0.95   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  16.41 +/- 1.30   0.003% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  19.89 +/- 0.84   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.7:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.23 +/- 0.04  99.852% * 99.4851% (1.00  10.0 10.00   4.97 187.75) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   7.36 +/- 0.95   0.111% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74   9.58 +/- 0.91   0.019% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.05 +/- 1.35   0.009% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.76 +/- 1.34   0.006% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  18.79 +/- 0.71   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.82 +/- 1.20   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  15.92 +/- 0.66   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.56 +/- 0.65   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.57 +/- 0.77   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.7:
    *   T HA    LYS+  74 - QE    LYS+  74   2.76 +/- 0.56  99.920% * 99.8966% (0.80 10.00   4.93 187.75) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74  10.16 +/- 1.16   0.054% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  11.94 +/- 1.17   0.026% *  0.0278% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.7:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.74 +/- 0.67  99.397% * 99.4757% (0.80 10.00   4.62 187.75) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   8.60 +/- 0.75   0.162% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  11.99 +/- 2.38   0.221% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74   9.98 +/- 1.24   0.117% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  13.00 +/- 1.31   0.025% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  14.30 +/- 1.24   0.012% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.99 +/- 0.73   0.035% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  15.08 +/- 0.75   0.008% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  13.42 +/- 1.03   0.018% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.66 +/- 1.30   0.005% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.13 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.7:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.75 +/- 0.64  99.047% * 99.1206% (1.00  10.0 10.00   4.54 187.75) =  99.999%  kept
          HG13  ILE   19 - QE    LYS+  74   8.68 +/- 1.20   0.357% *  0.0915% (0.92   1.0  1.00   0.02   8.15) =   0.000%
          QG2   ILE   56 - QE    LYS+  74   7.45 +/- 1.29   0.465% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.73 +/- 1.07   0.039% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  11.38 +/- 1.29   0.036% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  12.07 +/- 1.09   0.026% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.23 +/- 0.74   0.024% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  16.83 +/- 1.34   0.003% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.49 +/- 1.06   0.003% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.36 +/- 1.25   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 4.0, residual support = 187.0:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.90 +/- 0.46  91.911% * 93.7715% (1.00  10.0 10.00   4.00 187.75) =  99.496%  kept
          HB    VAL   75 - QE    LYS+  74   5.29 +/- 0.94   7.508% *  5.8132% (0.31   1.0  1.00   4.02  31.68) =   0.504%  kept
          QD1   LEU   67 - QE    LYS+  74   9.59 +/- 1.89   0.316% *  0.0866% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.31 +/- 0.94   0.108% *  0.0644% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  10.87 +/- 1.28   0.064% *  0.0841% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.91 +/- 0.89   0.019% *  0.0919% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.01 +/- 0.89   0.047% *  0.0352% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.58 +/- 1.32   0.026% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.7:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.23 +/- 0.04  99.842% * 99.2156% (1.00  10.0 10.00   4.97 187.75) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   7.04 +/- 0.69   0.129% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  10.32 +/- 1.02   0.013% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  10.31 +/- 1.00   0.012% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.83 +/- 0.99   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  18.79 +/- 0.71   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  16.32 +/- 0.99   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  18.53 +/- 1.38   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.65 +/- 1.45   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HB    VAL   75 - HA    VAL   75   2.88 +/- 0.23  98.525% * 99.3939% (1.00  10.0 10.00   3.44  84.44) = 100.000%  kept
          HG3   LYS+  74 - HA    VAL   75   6.24 +/- 0.65   1.429% *  0.0307% (0.31   1.0  1.00   0.02  31.68) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  14.64 +/- 0.81   0.007% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  13.14 +/- 1.14   0.014% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.75 +/- 1.36   0.013% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  13.94 +/- 1.20   0.009% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  17.74 +/- 0.77   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG1   VAL   75 - HA    VAL   75   2.59 +/- 0.14  99.997% * 99.9055% (1.00  10.0 10.00   4.00  84.44) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.99 +/- 0.98   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG2   VAL   75 - HA    VAL   75   2.34 +/- 0.37  99.987% * 99.9036% (1.00  10.0 10.00   4.00  84.44) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  11.17 +/- 0.41   0.013% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HA    VAL   75 - HB    VAL   75   2.88 +/- 0.23  99.962% * 99.7003% (1.00  10.0 10.00   3.44  84.44) = 100.000%  kept
        T HA    ILE  119 - HB    VAL   75  16.29 +/- 0.85   0.004% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    VAL   75  14.99 +/- 1.09   0.007% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  12.01 +/- 0.92   0.024% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  16.30 +/- 0.70   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.01  99.998% * 99.9055% (1.00  10.0 10.00   3.44  84.44) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.25 +/- 1.16   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.02  99.988% * 99.0442% (1.00  10.0 10.00   3.31  84.44) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.71 +/- 0.50   0.012% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    VAL   75 - QG1   VAL   75   2.59 +/- 0.14  99.972% * 99.6578% (1.00  10.0 10.00   4.00  84.44) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  11.77 +/- 0.79   0.013% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  13.59 +/- 0.83   0.005% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.96 +/- 0.46   0.007% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.12 +/- 0.64   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.4:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.01  99.900% * 99.7607% (1.00  10.0 10.00   3.44  84.44) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   7.13 +/- 0.56   0.079% *  0.0308% (0.31   1.0  1.00   0.02  31.68) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  10.49 +/- 1.01   0.008% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.12 +/- 0.94   0.005% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.08 +/- 0.90   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.01 +/- 0.79   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.12 +/- 0.72   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG2   VAL   75 - QG1   VAL   75   2.04 +/- 0.06  99.990% * 99.9036% (1.00  10.0 10.00   4.00  84.44) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.50 +/- 0.37   0.010% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T HA    VAL   75 - QG2   VAL   75   2.34 +/- 0.37  99.950% * 99.8572% (1.00  10.0 10.00   4.00  84.44) = 100.000%  kept
          HA    ALA   61 - QG2   VAL   75  10.69 +/- 1.03   0.035% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   75  13.68 +/- 1.16   0.007% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  14.11 +/- 0.89   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.81 +/- 0.76   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.4:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.02  99.808% * 99.7607% (1.00  10.0 10.00   3.31  84.44) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.36 +/- 0.41   0.149% *  0.0308% (0.31   1.0  1.00   0.02  31.68) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.54 +/- 1.02   0.015% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75   9.77 +/- 1.06   0.012% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  10.62 +/- 1.07   0.008% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  11.46 +/- 1.08   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.79 +/- 0.80   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.4:
    * O T QG1   VAL   75 - QG2   VAL   75   2.04 +/- 0.06  99.997% * 99.9055% (1.00  10.0 10.00   4.00  84.44) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  11.93 +/- 1.01   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 36.2:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.81 +/- 0.18  96.062% * 99.1090% (1.00  10.0 10.00   2.89  36.15) =  99.998%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.39 +/- 0.67   2.614% *  0.0720% (0.73   1.0  1.00   0.02   3.06) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   6.81 +/- 0.73   0.643% *  0.0362% (0.04   1.0 10.00   0.02  10.12) =   0.000%
          HB2   ASN   69 - HA    LEU   67   6.83 +/- 0.88   0.666% *  0.0159% (0.16   1.0  1.00   0.02   2.96) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  18.12 +/- 1.61   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  15.10 +/- 1.89   0.006% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.73 +/- 1.00   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  21.99 +/- 1.43   0.000% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.22 +/- 0.85   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  24.43 +/- 0.29   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  26.17 +/- 1.66   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.50 +/- 1.05   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.2:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.82 +/- 0.23  99.745% * 99.2676% (0.87  10.0 10.00   2.99  36.15) = 100.000%  kept
          QG    GLN   90 - HA    ASP-  76   9.44 +/- 2.00   0.163% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  76  13.73 +/- 1.99   0.018% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  12.73 +/- 0.71   0.013% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  16.17 +/- 0.68   0.003% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.40 +/- 1.27   0.031% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.92 +/- 1.21   0.009% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.49 +/- 0.92   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  14.36 +/- 1.44   0.007% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  22.69 +/- 1.76   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.27 +/- 0.83   0.001% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.31 +/- 1.21   0.005% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  24.75 +/- 0.91   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  21.41 +/- 1.14   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  24.97 +/- 1.07   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  23.73 +/- 1.44   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 36.2:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.81 +/- 0.18  99.325% * 99.3094% (1.00  10.0 10.00   2.89  36.15) = 100.000%  kept
        T HA    LEU   67 - QE    LYS+  66   6.81 +/- 0.73   0.665% *  0.0515% (0.05   1.0 10.00   0.02  10.12) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  15.10 +/- 1.89   0.007% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  18.12 +/- 1.61   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.73 +/- 1.00   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  21.99 +/- 1.43   0.001% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 36.2:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.569% * 98.9845% (0.87  10.0 10.00   2.87  36.15) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   7.19 +/- 2.37   0.404% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.36 +/- 1.83   0.020% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  10.98 +/- 2.16   0.003% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.63 +/- 0.77   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  16.28 +/- 2.07   0.000% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.06 +/- 1.45   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.29 +/- 1.75   0.001% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.02 +/- 1.83   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  14.22 +/- 0.79   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.54 +/- 0.72   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.49 +/- 0.90   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  18.12 +/- 2.00   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.39 +/- 0.72   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  15.72 +/- 1.39   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.62 +/- 1.27   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  25.20 +/- 1.21   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.64 +/- 1.63   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.30 +/- 1.74   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.47 +/- 1.08   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  21.43 +/- 1.54   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  27.50 +/- 1.56   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  22.26 +/- 1.17   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  21.63 +/- 1.49   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.2:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.82 +/- 0.23 100.000% * 99.7513% (0.87  10.0 10.00   2.99  36.15) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  22.69 +/- 1.76   0.000% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 36.2:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.981% * 99.3726% (0.87  10.0 10.00   2.87  36.15) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.18 +/- 0.83   1.019% *  0.0722% (0.63   1.0  1.00   0.02   3.06) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  18.02 +/- 1.83   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  14.54 +/- 1.27   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.54 +/- 0.72   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.66 +/- 0.84   0.000% *  0.0974% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HB    THR   77 - HA    THR   77   2.53 +/- 0.06  99.424% * 99.3000% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.24 +/- 0.25   0.454% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   8.46 +/- 0.44   0.077% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.52 +/- 0.46   0.020% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  10.81 +/- 0.50   0.018% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  14.76 +/- 0.68   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.42 +/- 0.98   0.003% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.79 +/- 1.22   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  24.35 +/- 0.46   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.90 +/- 1.12   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  32.12 +/- 2.81   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  29.57 +/- 2.36   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T QG2   THR   77 - HA    THR   77   2.43 +/- 0.07  99.917% * 99.7982% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.40 +/- 0.58   0.032% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   9.02 +/- 0.95   0.050% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  20.09 +/- 1.07   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  24.02 +/- 0.80   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  26.74 +/- 0.70   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HA    THR   77 - HB    THR   77   2.53 +/- 0.06  99.969% * 99.9104% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  11.12 +/- 1.49   0.025% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  13.04 +/- 0.79   0.006% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.8:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.02  99.968% * 99.5496% (1.00  10.0 10.00   2.83  37.75) = 100.000%  kept
        T QG2   THR   23 - HB    THR   77  10.96 +/- 1.01   0.007% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB    THR   77   8.89 +/- 0.73   0.024% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.85 +/- 1.16   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.39 +/- 0.83   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  28.64 +/- 0.84   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.8:
    * O T HA    THR   77 - QG2   THR   77   2.43 +/- 0.07  99.837% * 99.9104% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   8.09 +/- 1.11   0.141% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77  10.03 +/- 0.67   0.023% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.8:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.02  99.761% * 99.3000% (1.00  10.0 10.00   2.83  37.75) = 100.000%  kept
          HA    SER   85 - QG2   THR   77   7.44 +/- 0.61   0.071% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   77   7.35 +/- 0.48   0.071% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.42 +/- 0.13   0.061% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77   9.64 +/- 0.64   0.015% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  10.27 +/- 0.56   0.009% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.01 +/- 0.79   0.011% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.92 +/- 0.99   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.98 +/- 0.47   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.63 +/- 0.93   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.03 +/- 2.09   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  24.82 +/- 1.79   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 38.9:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.87 +/- 0.17  98.828% * 99.6931% (1.00  10.0 10.00   3.25  38.91) =  99.999%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.36 +/- 0.68   1.156% *  0.0724% (0.73   1.0  1.00   0.02   3.06) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.97 +/- 0.58   0.013% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  17.82 +/- 0.71   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.33 +/- 1.72   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  21.94 +/- 1.55   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  30.50 +/- 0.32   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.9:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.80 +/- 0.18  99.907% * 99.8720% (1.00  10.0 10.00   2.31  38.91) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78  10.25 +/- 1.25   0.062% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.30 +/- 1.15   0.031% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  27.10 +/- 1.02   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.41 +/- 1.72   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 38.9:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.87 +/- 0.17  99.501% * 99.8154% (1.00  10.0 10.00   3.25  38.91) = 100.000%  kept
          HA    THR   23 - HB2   ASP-  78   9.18 +/- 1.08   0.141% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB2   ASP-  78   8.02 +/- 0.41   0.242% *  0.0486% (0.49   1.0  1.00   0.02   2.44) =   0.000%
          HB    THR   23 - HB2   ASP-  78   9.87 +/- 1.78   0.115% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  24.97 +/- 0.93   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (2.91, 2.91, 41.22 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  78 - HB2   ASP-  78  (1.00)  kept
 
    Peak 927 (2.78, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.65, residual support = 38.9:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.987% * 99.8720% (1.00  10.0 10.00   2.65  38.91) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   9.34 +/- 1.61   0.010% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.16 +/- 1.19   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.70 +/- 1.27   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.62 +/- 1.85   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.9:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.80 +/- 0.18  99.634% * 99.8154% (1.00  10.0 10.00   2.31  38.91) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.21 +/- 0.44   0.194% *  0.0486% (0.49   1.0  1.00   0.02   2.44) =   0.000%
          HA    THR   23 - HB3   ASP-  78   9.40 +/- 0.90   0.092% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  10.07 +/- 1.63   0.080% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  24.97 +/- 1.02   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.65, residual support = 38.9:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.740% * 99.6931% (1.00  10.0 10.00   2.65  38.91) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.12 +/- 0.83   0.260% *  0.0724% (0.73   1.0  1.00   0.02   3.06) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  14.54 +/- 0.59   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  17.97 +/- 0.95   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.64 +/- 1.74   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  20.44 +/- 1.80   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.58 +/- 0.66   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 55.0:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.86 +/- 0.20  99.965% * 98.4729% (1.00  10.0 10.00   4.28  54.95) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  79  11.70 +/- 1.34   0.029% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  79  17.95 +/- 2.57   0.004% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  27.08 +/- 0.65   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  18.29 +/- 1.42   0.002% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.80 +/- 1.69   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  28.22 +/- 2.92   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 55.0:
    * O T QG    GLU-  79 - HA    GLU-  79   2.55 +/- 0.20  99.999% * 99.7507% (1.00  10.0 10.00   3.48  54.95) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  19.05 +/- 1.12   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  21.48 +/- 1.13   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  22.90 +/- 0.79   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  28.06 +/- 1.10   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.94 +/- 1.69   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 54.9:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.86 +/- 0.20  99.680% * 99.4064% (1.00  10.0 10.00   4.28  54.95) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.85 +/- 0.38   0.286% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  13.09 +/- 0.94   0.015% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.21 +/- 0.68   0.013% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  16.31 +/- 1.45   0.004% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  17.86 +/- 1.35   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  21.50 +/- 1.53   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.33 +/- 0.99   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  28.99 +/- 3.36   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 55.0:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.28 +/- 0.10  99.999% * 99.7507% (1.00  10.0 10.00   3.44  54.95) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  17.75 +/- 1.01   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.77 +/- 1.13   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  20.88 +/- 1.06   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.13 +/- 1.30   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  27.12 +/- 1.61   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 55.0:
    * O T HA    GLU-  79 - QG    GLU-  79   2.55 +/- 0.20  99.900% * 99.4064% (1.00  10.0 10.00   3.48  54.95) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.58 +/- 0.50   0.082% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.68 +/- 0.46   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  13.12 +/- 0.72   0.006% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  16.12 +/- 1.53   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  17.56 +/- 1.50   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.13 +/- 1.36   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.13 +/- 0.75   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  25.56 +/- 3.32   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 55.0:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.28 +/- 0.10  99.894% * 99.5443% (1.00  10.0 10.00   3.44  54.95) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79   8.72 +/- 1.56   0.104% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  17.28 +/- 2.53   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  17.58 +/- 1.40   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.66 +/- 1.55   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.16 +/- 0.72   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  23.10 +/- 2.75   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.64, residual support = 80.5:
    *   T QD1   LEU   80 - HA    LEU   80   2.81 +/- 0.57  99.879% * 98.6414% (0.65 10.00   5.64  80.53) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  12.68 +/- 1.29   0.023% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  10.45 +/- 1.10   0.074% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  13.05 +/- 1.17   0.017% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  18.24 +/- 1.22   0.003% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  16.71 +/- 0.96   0.004% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 80.5:
    * O   HA    LEU   80 - HB2   LEU   80   2.69 +/- 0.33  91.273% * 99.6992% (1.00  10.0   5.06  80.53) =  99.992%  kept
          HA    THR   23 - HB2   LEU   80   4.61 +/- 0.68   5.471% *  0.0798% (0.80   1.0   0.02   5.86) =   0.005%
          HB    THR   23 - HB2   LEU   80   6.01 +/- 1.51   2.989% *  0.0962% (0.97   1.0   0.02   5.86) =   0.003%
          HA    ASP-  78 - HB2   LEU   80   7.89 +/- 0.74   0.267% *  0.0485% (0.49   1.0   0.02   2.44) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  20.52 +/- 1.42   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.3, residual support = 80.5:
    * O T QD1   LEU   80 - HB2   LEU   80   2.66 +/- 0.42  99.781% * 97.5236% (0.65  10.0 10.00   4.30  80.53) =  99.999%  kept
        T QG2   VAL   41 - HB2   LEU   80  11.41 +/- 0.96   0.027% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  11.10 +/- 1.07   0.033% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   8.83 +/- 0.84   0.151% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  16.31 +/- 1.34   0.003% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  14.81 +/- 1.10   0.005% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.09 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.63, support = 5.16, residual support = 70.2:
    *   T HA    LEU   80 - QD1   LEU   80   2.81 +/- 0.57  34.422% * 86.5131% (0.65 10.00   5.64  80.53) =  86.145%  kept
          HA    THR   23 - QD1   LEU   80   2.66 +/- 1.03  56.310% *  7.7596% (0.52  1.00   2.24   5.86) =  12.640%  kept
          HB    THR   23 - QD1   LEU   80   4.03 +/- 0.95   8.438% *  4.9736% (0.62  1.00   1.19   5.86) =   1.214%  kept
          HA    ASP-  78 - QD1   LEU   80   6.81 +/- 0.92   0.733% *  0.0421% (0.31  1.00   0.02   2.44) =   0.001%
        T HA    LEU   80 - QD2   LEU   98  12.68 +/- 1.29   0.007% *  0.4959% (0.37 10.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   8.58 +/- 0.71   0.066% *  0.0379% (0.28  1.00   0.02   0.31) =   0.000%
          HA    THR   23 - QD2   LEU   98  12.03 +/- 1.31   0.015% *  0.0397% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  13.52 +/- 1.18   0.006% *  0.0479% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  17.74 +/- 1.62   0.001% *  0.0661% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  16.32 +/- 0.79   0.001% *  0.0241% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.8:
    * O T QB    LYS+  81 - HA    LYS+  81   2.44 +/- 0.12  99.873% * 97.5498% (1.00  10.0 10.00   4.97 101.80) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   8.55 +/- 1.70   0.118% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.55 +/- 1.33   0.000% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  15.19 +/- 0.99   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  17.74 +/- 1.05   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.82 +/- 1.06   0.003% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  16.25 +/- 1.03   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.02 +/- 1.20   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  19.89 +/- 2.14   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  20.15 +/- 0.90   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  30.00 +/- 1.20   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  22.50 +/- 1.14   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.05 +/- 0.92   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  23.95 +/- 1.15   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.80 +/- 1.45   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 101.8:
    * O T QG    LYS+  81 - HA    LYS+  81   2.29 +/- 0.38  99.994% * 98.1658% (1.00  10.0 10.00   4.18 101.80) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  17.71 +/- 1.60   0.001% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  22.27 +/- 0.91   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  13.78 +/- 0.99   0.004% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  22.01 +/- 1.35   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.8:
    *   T QD    LYS+  81 - HA    LYS+  81   3.52 +/- 0.62  99.936% * 99.7569% (1.00 10.00   3.44 101.80) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  13.23 +/- 0.88   0.061% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  24.10 +/- 0.90   0.001% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.87 +/- 1.14   0.002% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.8:
    *   T QE    LYS+  81 - HA    LYS+  81   3.50 +/- 0.51  99.966% * 99.9825% (1.00 10.00   3.44 101.80) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  14.03 +/- 1.34   0.034% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.8:
    * O T HA    LYS+  81 - QB    LYS+  81   2.44 +/- 0.12  99.898% * 98.7606% (1.00  10.0 10.00   4.97 101.80) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.94 +/- 0.30   0.091% *  0.0733% (0.07   1.0 10.00   0.02   1.77) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  18.80 +/- 0.96   0.001% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.88 +/- 1.29   0.006% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  17.74 +/- 1.05   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  13.94 +/- 0.55   0.003% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  21.61 +/- 1.58   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  25.58 +/- 0.57   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  23.31 +/- 0.97   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  32.00 +/- 1.37   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.00 +/- 0.80   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  28.23 +/- 1.00   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  26.51 +/- 1.01   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  35.95 +/- 0.85   0.000% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 101.8:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.02  99.986% * 97.8497% (1.00  10.0 10.00   4.50 101.80) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  17.78 +/- 1.44   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  21.01 +/- 0.75   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  16.48 +/- 1.46   0.001% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  17.45 +/- 1.17   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.14 +/- 0.91   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  10.33 +/- 1.27   0.011% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  15.22 +/- 1.23   0.001% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  21.69 +/- 1.33   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  30.69 +/- 1.33   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.8:
    * O T QD    LYS+  81 - QB    LYS+  81   2.19 +/- 0.13  99.997% * 99.6151% (1.00  10.0 10.00   3.74 101.80) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  13.86 +/- 0.77   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  16.84 +/- 1.36   0.001% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.35 +/- 0.81   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.89 +/- 0.74   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.95 +/- 1.07   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  26.19 +/- 0.92   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.48 +/- 1.02   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.8:
    *     QE    LYS+  81 - QB    LYS+  81   2.81 +/- 0.58  99.825% * 99.8347% (1.00   3.74 101.80) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  13.49 +/- 1.53   0.018% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52   9.31 +/- 0.63   0.147% *  0.0107% (0.02   0.02   3.49) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  15.83 +/- 1.79   0.011% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 101.8:
    * O T HA    LYS+  81 - QG    LYS+  81   2.29 +/- 0.38  99.838% * 98.8267% (1.00  10.0 10.00   4.18 101.80) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   7.99 +/- 0.45   0.088% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.31 +/- 0.55   0.043% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  17.71 +/- 1.60   0.001% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  22.27 +/- 0.91   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.49 +/- 0.62   0.022% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  14.45 +/- 0.70   0.004% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.47 +/- 1.06   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  25.99 +/- 0.64   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  19.80 +/- 1.08   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  23.95 +/- 2.85   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.99 +/- 1.48   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.88 +/- 1.07   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.13 +/- 1.36   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  19.60 +/- 1.58   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.24 +/- 0.95   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  27.65 +/- 1.28   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  31.62 +/- 1.37   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.73 +/- 1.30   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.27 +/- 0.94   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.61 +/- 1.51   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.817, support = 4.81, residual support = 114.3:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  44.468% * 57.8388% (1.00  10.0 10.00   4.50 101.80) =  70.601%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.29 +/- 0.10  26.305% * 26.7248% (0.46  10.0 10.00   5.66 149.00) =  19.297%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.24 +/- 0.08  28.981% * 12.6979% (0.22  10.0 10.00   5.31 135.78) =  10.102%  kept
          HB3   GLN   90 - QG    LYS+  81   8.51 +/- 1.88   0.029% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   6.30 +/- 1.58   0.103% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.36 +/- 0.45   0.061% *  0.0104% (0.18   1.0  1.00   0.02   0.17) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.72 +/- 0.46   0.046% *  0.0114% (0.20   1.0  1.00   0.02  22.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.32 +/- 0.92   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  19.12 +/- 0.78   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.12 +/- 1.31   0.002% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.84 +/- 1.30   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  16.48 +/- 1.46   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.78 +/- 1.44   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.01 +/- 0.75   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.37 +/- 1.41   0.001% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.20 +/- 0.98   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.72 +/- 1.70   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.79 +/- 0.77   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.05 +/- 1.38   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.34 +/- 1.76   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.62 +/- 1.48   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.22 +/- 1.67   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.85 +/- 1.88   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.42 +/- 1.81   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  17.45 +/- 1.17   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.62 +/- 1.37   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  22.03 +/- 1.05   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.74 +/- 1.78   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.81 +/- 1.37   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.26 +/- 0.95   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.40 +/- 1.84   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.45 +/- 1.11   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  28.21 +/- 1.09   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.81 +/- 0.80   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.34 +/- 1.07   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.23 +/- 0.99   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.54 +/- 1.46   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.26 +/- 1.26   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  30.69 +/- 1.33   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.25 +/- 1.55   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.20 +/- 1.19   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  24.62 +/- 2.27   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  28.18 +/- 1.17   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  28.19 +/- 1.51   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.77 +/- 1.93   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 101.8:
    * O T QD    LYS+  81 - QG    LYS+  81   2.07 +/- 0.03  99.958% * 98.8994% (1.00  10.0 10.00   3.72 101.80) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   8.52 +/- 1.19   0.032% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  13.73 +/- 0.73   0.001% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.33 +/- 0.90   0.004% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  14.33 +/- 1.25   0.001% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.94 +/- 1.86   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  18.66 +/- 1.58   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.75 +/- 0.85   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  14.47 +/- 1.91   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.49 +/- 0.81   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  22.19 +/- 1.11   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  22.49 +/- 1.26   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 101.8:
    * O   QE    LYS+  81 - QG    LYS+  81   2.15 +/- 0.14  99.996% * 99.9005% (1.00  10.0   3.72 101.80) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  12.10 +/- 1.68   0.004% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.05 +/- 1.50   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.88 +/- 0.84   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  22.51 +/- 1.21   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  31.00 +/- 1.04   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.8:
    *   T HA    LYS+  81 - QD    LYS+  81   3.52 +/- 0.62  99.973% * 99.7133% (1.00 10.00   3.44 101.80) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  18.33 +/- 1.14   0.007% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  15.85 +/- 0.69   0.017% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.44 +/- 0.70   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.95 +/- 1.61   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.95 +/- 1.39   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.77 +/- 1.16   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.8:
    * O T QB    LYS+  81 - QD    LYS+  81   2.19 +/- 0.13  99.914% * 98.9997% (1.00  10.0 10.00   3.74 101.80) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   8.34 +/- 1.75   0.080% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  16.84 +/- 1.36   0.001% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.09 +/- 1.09   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  13.66 +/- 1.23   0.002% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  18.45 +/- 1.48   0.000% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  18.94 +/- 1.56   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.41 +/- 0.80   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  20.54 +/- 0.72   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  20.77 +/- 1.90   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  23.09 +/- 1.06   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  29.76 +/- 1.38   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.23 +/- 0.98   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.40 +/- 1.16   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  29.43 +/- 1.35   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 101.8:
    * O T QG    LYS+  81 - QD    LYS+  81   2.07 +/- 0.03  99.999% * 98.1658% (1.00  10.0 10.00   3.72 101.80) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  18.66 +/- 1.58   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  22.75 +/- 0.85   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  14.66 +/- 1.18   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  21.69 +/- 1.66   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 101.8:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  99.996% * 99.9825% (1.00  10.0   3.00 101.80) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  12.18 +/- 1.57   0.004% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.8:
    *   T HA    LYS+  81 - QE    LYS+  81   3.50 +/- 0.51  99.972% * 99.7133% (1.00 10.00   3.44 101.80) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.52 +/- 1.53   0.009% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  16.10 +/- 0.79   0.015% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  27.61 +/- 0.83   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  21.14 +/- 1.59   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  32.40 +/- 1.40   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  27.24 +/- 0.93   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.3:
    * O T HB2   SER   82 - HA    SER   82   2.72 +/- 0.14  99.137% * 97.1708% (0.95  10.0 10.00   2.96  33.32) =  99.999%  kept
        T HB2   SER   82 - HA    GLU-  25   9.68 +/- 1.00   0.072% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    GLU-  25   6.50 +/- 0.33   0.593% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.03 +/- 0.21   0.157% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  15.45 +/- 1.41   0.004% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.15 +/- 0.34   0.022% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  19.91 +/- 1.32   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.51 +/- 0.52   0.007% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  17.14 +/- 0.81   0.002% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.71 +/- 0.78   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  25.20 +/- 0.87   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  19.67 +/- 1.02   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.87 +/- 0.53   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.29 +/- 0.89   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.48 +/- 0.72   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  18.13 +/- 0.53   0.001% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  23.03 +/- 0.97   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  28.02 +/- 1.38   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.10 +/- 0.91   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  29.57 +/- 1.01   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HB3   SER   82 - HA    SER   82   2.91 +/- 0.17  99.709% * 98.8194% (1.00  10.0 10.00   2.00  33.32) = 100.000%  kept
        T HB3   SER   82 - HA    GLU-  25   9.40 +/- 0.88   0.118% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.57 +/- 0.33   0.046% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.10 +/- 0.20   0.114% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  19.09 +/- 0.56   0.001% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  18.70 +/- 0.85   0.002% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.31 +/- 1.10   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.70 +/- 0.75   0.002% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.29 +/- 0.53   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.62 +/- 0.54   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  22.84 +/- 0.98   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  21.10 +/- 2.10   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  24.69 +/- 0.97   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  25.52 +/- 1.09   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  28.83 +/- 2.04   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.06 +/- 1.09   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.61 +/- 0.95   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  26.19 +/- 0.86   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.3:
    * O T HA    SER   82 - HB2   SER   82   2.72 +/- 0.14  99.855% * 97.8439% (0.95  10.0 10.00   2.96  33.32) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82   9.68 +/- 1.00   0.072% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  15.45 +/- 1.41   0.004% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48  10.15 +/- 0.32   0.039% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  19.91 +/- 1.32   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.66 +/- 0.54   0.017% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.71 +/- 0.78   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.29 +/- 0.46   0.008% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  25.20 +/- 0.87   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  19.67 +/- 1.08   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  17.70 +/- 0.54   0.001% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  19.93 +/- 0.84   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  20.99 +/- 0.49   0.000% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  27.36 +/- 1.01   0.000% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  21.70 +/- 0.59   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.670% * 96.7159% (0.95  10.0 10.00   2.33  33.32) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   4.84 +/- 0.51   0.292% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.00 +/- 0.66   0.013% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   9.12 +/- 0.44   0.005% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  12.58 +/- 1.35   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.65 +/- 0.27   0.015% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.37 +/- 1.34   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.46 +/- 0.27   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  12.52 +/- 1.31   0.001% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.88 +/- 0.68   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  21.69 +/- 1.02   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  16.99 +/- 1.06   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.47 +/- 1.28   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.81 +/- 0.81   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  27.52 +/- 0.62   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  23.67 +/- 1.13   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  24.24 +/- 1.28   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  19.91 +/- 0.62   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  27.55 +/- 2.27   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.99 +/- 1.07   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  21.20 +/- 1.11   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  22.50 +/- 0.80   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  26.08 +/- 1.64   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  24.96 +/- 0.86   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  27.27 +/- 0.83   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  29.18 +/- 0.73   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  22.10 +/- 0.68   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.3:
    * O T HA    SER   82 - HB3   SER   82   2.91 +/- 0.17  99.879% * 99.1601% (1.00  10.0 10.00   2.00  33.32) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82   9.40 +/- 0.88   0.118% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HB3   SER   82  20.71 +/- 0.41   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.23 +/- 1.08   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  26.72 +/- 1.05   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 33.3:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.996% * 97.6038% (0.95  10.0 10.00   2.33  33.32) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82   9.91 +/- 0.19   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  16.37 +/- 1.34   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  14.45 +/- 0.93   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.57 +/- 0.75   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  17.12 +/- 1.11   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.47 +/- 1.28   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.12 +/- 1.02   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  20.49 +/- 1.07   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  27.97 +/- 1.09   0.000% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 86.8:
    * O T HB    VAL   83 - HA    VAL   83   2.87 +/- 0.15  99.974% * 96.5761% (0.90  10.0 10.00   3.97  86.78) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  13.56 +/- 0.79   0.010% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  17.43 +/- 1.02   0.002% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  20.81 +/- 0.77   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  22.98 +/- 1.22   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  15.95 +/- 2.93   0.007% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.30 +/- 1.18   0.003% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.49 +/- 1.19   0.002% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  22.87 +/- 1.17   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.47 +/- 1.38   0.000% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  28.03 +/- 1.23   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  28.74 +/- 1.62   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.2, residual support = 86.8:
    * O T QG1   VAL   83 - HA    VAL   83   2.19 +/- 0.25  98.939% * 99.5865% (0.87  10.0 10.00   4.20  86.78) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.16 +/- 0.87   0.935% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   7.14 +/- 0.25   0.105% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83   9.64 +/- 0.87   0.018% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  16.48 +/- 1.53   0.002% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  15.20 +/- 0.93   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  19.13 +/- 1.34   0.000% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 86.8:
    * O T QG2   VAL   83 - HA    VAL   83   2.76 +/- 0.30  99.063% * 99.8380% (1.00  10.0 10.00   4.44  86.78) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   6.42 +/- 0.63   0.858% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83   9.64 +/- 0.84   0.079% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.03 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 86.8:
    * O T HA    VAL   83 - HB    VAL   83   2.87 +/- 0.15  99.993% * 97.8171% (0.90  10.0 10.00   3.97  86.78) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  18.93 +/- 1.23   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  21.02 +/- 0.96   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  20.32 +/- 0.86   0.001% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  15.94 +/- 0.75   0.004% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.777, support = 4.27, residual support = 86.7:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  78.669% * 99.1770% (0.78  10.0 10.00   4.28  86.78) =  99.863%  kept
          QD2   LEU   80 - HB    VAL   83   3.25 +/- 1.20  21.205% *  0.5028% (0.72   1.0  1.00   0.11   0.02) =   0.136%
          QG2   ILE   89 - HB    VAL   83   6.56 +/- 0.39   0.100% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   8.53 +/- 0.89   0.024% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  16.59 +/- 1.46   0.000% *  0.1103% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  14.25 +/- 0.94   0.001% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  18.35 +/- 1.68   0.000% *  0.0874% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.5, residual support = 86.8:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.01  99.814% * 99.8380% (0.90  10.0 10.00   4.50  86.78) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.34 +/- 0.60   0.165% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   9.03 +/- 0.89   0.021% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.2, residual support = 86.8:
    * O T HA    VAL   83 - QG1   VAL   83   2.19 +/- 0.25  99.995% * 99.7372% (0.87  10.0 10.00   4.20  86.78) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  14.54 +/- 1.16   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  14.43 +/- 0.81   0.002% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.31 +/- 1.14   0.000% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  15.65 +/- 0.74   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.28, residual support = 86.8:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.979% * 99.3915% (0.78  10.0 10.00   4.28  86.78) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83   9.87 +/- 0.68   0.011% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  13.08 +/- 2.46   0.004% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  13.93 +/- 0.99   0.001% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  12.80 +/- 0.97   0.002% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  16.29 +/- 0.66   0.001% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  17.78 +/- 1.22   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  14.64 +/- 1.33   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  18.61 +/- 1.22   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.13 +/- 1.25   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  22.60 +/- 1.18   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  23.14 +/- 1.44   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.60, 0.60, 22.78 ppm):
    1 diagonal assignment:
    *     QG1   VAL   83 - QG1   VAL   83  (0.75)  kept
 
    Peak 994 (0.08, 0.60, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.75, residual support = 86.8:
    * O T QG2   VAL   83 - QG1   VAL   83   2.03 +/- 0.05  99.591% * 99.0399% (0.87  10.0 10.00   4.75  86.78) =  99.997%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.84 +/- 0.89   0.291% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - QG1   VAL   83   6.55 +/- 0.65   0.119% *  0.0719% (0.63   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 86.8:
    * O T HA    VAL   83 - QG2   VAL   83   2.76 +/- 0.30  99.974% * 99.7372% (1.00  10.0 10.00   4.44  86.78) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  12.56 +/- 1.14   0.016% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  15.07 +/- 1.15   0.004% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  16.60 +/- 1.22   0.003% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  16.33 +/- 1.12   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.5, residual support = 86.8:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.01  99.963% * 99.3915% (0.90  10.0 10.00   4.50  86.78) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83   8.74 +/- 0.92   0.025% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  12.51 +/- 1.17   0.003% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.43 +/- 2.31   0.003% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  12.71 +/- 1.47   0.004% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  16.94 +/- 1.08   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  16.87 +/- 1.02   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  17.62 +/- 1.18   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  13.62 +/- 0.97   0.002% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.41 +/- 1.29   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.57 +/- 1.12   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.12 +/- 1.49   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.75, residual support = 86.8:
    * O T QG1   VAL   83 - QG2   VAL   83   2.03 +/- 0.05  90.118% * 99.3306% (0.87  10.0 10.00   4.75  86.78) =  99.988%  kept
          QD2   LEU   80 - QG2   VAL   83   3.29 +/- 0.69   9.010% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.009%
        T QG2   ILE   89 - QG2   VAL   83   4.73 +/- 0.71   0.774% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - QG2   VAL   83   6.66 +/- 0.67   0.090% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  12.92 +/- 1.50   0.002% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  10.92 +/- 0.90   0.004% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  14.30 +/- 1.03   0.001% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.95, residual support = 18.4:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  99.625% * 99.1332% (0.93  10.0 10.00   2.95  18.42) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   5.92 +/- 0.87   0.355% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.00 +/- 1.32   0.007% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  11.54 +/- 0.45   0.004% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  13.31 +/- 1.38   0.002% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  13.86 +/- 1.45   0.002% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  12.31 +/- 0.87   0.003% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  15.46 +/- 1.16   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  17.64 +/- 0.83   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.46 +/- 1.44   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  15.89 +/- 0.61   0.001% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  20.13 +/- 2.13   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.57 +/- 1.45   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  21.77 +/- 1.58   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  21.79 +/- 1.08   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  23.28 +/- 1.25   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  24.89 +/- 1.00   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.95, residual support = 18.4:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  99.994% * 99.6067% (0.93  10.0 10.00   2.95  18.42) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  12.28 +/- 0.85   0.003% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  12.63 +/- 0.97   0.003% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  18.24 +/- 1.09   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.43 +/- 1.01   0.000% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.33 +/- 0.10  53.156% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.975%  kept
          HA    ALA   88 - HA    SER   85   2.38 +/- 0.10  46.830% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.024%
        T QB    SER   48 - HA    SER   85  12.71 +/- 1.35   0.003% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85   9.99 +/- 0.75   0.010% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.79 +/- 1.06   0.000% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  20.50 +/- 1.04   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  21.69 +/- 1.42   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.30 +/- 1.26   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  21.95 +/- 1.29   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  27.77 +/- 0.72   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  28.01 +/- 1.36   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  29.17 +/- 0.80   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  26.97 +/- 1.52   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T HA    SER   85 - QB    SER   85   2.33 +/- 0.10  93.628% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.998%  kept
          HA    ASP-  86 - QB    SER   85   4.23 +/- 0.21   3.164% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - QB    SER   48   5.62 +/- 1.23   2.997% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    SER   85   8.17 +/- 0.53   0.060% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.57 +/- 0.50   0.043% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   8.46 +/- 1.28   0.070% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  12.71 +/- 1.35   0.005% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.49 +/- 0.26   0.012% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  16.81 +/- 1.31   0.001% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.56 +/- 0.92   0.003% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  14.03 +/- 0.46   0.002% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.60 +/- 0.96   0.000% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.23 +/- 0.39   0.003% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  23.94 +/- 0.79   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.51 +/- 0.63   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.37 +/- 1.51   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.32 +/- 1.35   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.55 +/- 0.99   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  21.69 +/- 1.42   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.33 +/- 0.64   0.005% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  15.94 +/- 1.27   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.25 +/- 1.01   0.003% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.31 +/- 0.66   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.90 +/- 0.42   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.97 +/- 1.42   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.28 +/- 2.93   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.69 +/- 1.37   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  21.69 +/- 1.28   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  31.39 +/- 2.50   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  26.26 +/- 1.08   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  24.81 +/- 1.07   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  31.79 +/- 2.59   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  29.25 +/- 2.08   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.37 +/- 0.82   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.20 +/- 1.82   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.22 +/- 1.22   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.47, residual support = 41.7:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.04 +/- 0.02  99.980% * 99.6568% (1.00  10.0 10.00   3.47  41.71) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  13.95 +/- 0.95   0.012% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  19.72 +/- 1.76   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.23 +/- 0.51   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  20.35 +/- 1.67   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  25.71 +/- 0.94   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.7:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.58 +/- 0.07  99.969% * 98.9853% (1.00  10.0 10.00   2.00  41.71) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  11.62 +/- 0.49   0.013% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  11.28 +/- 0.92   0.016% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  17.84 +/- 1.21   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  25.26 +/- 0.72   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.56 +/- 1.41   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  24.02 +/- 1.22   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  24.53 +/- 1.48   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.47, residual support = 41.7:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.04 +/- 0.02  97.522% * 99.5343% (1.00  10.0 10.00   3.47  41.71) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.67 +/- 0.10   2.340% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86  10.14 +/- 0.66   0.081% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  11.55 +/- 0.47   0.034% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  13.17 +/- 1.47   0.018% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  16.59 +/- 1.41   0.004% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  26.59 +/- 1.62   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  30.80 +/- 2.62   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  32.82 +/- 3.07   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 41.7:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.989% * 99.6638% (1.00  10.0 10.00   2.84  41.71) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86   9.19 +/- 0.54   0.005% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86   9.36 +/- 0.88   0.005% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  16.03 +/- 1.01   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  15.57 +/- 1.31   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  22.62 +/- 0.73   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.28 +/- 1.24   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  22.71 +/- 1.37   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.7:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.58 +/- 0.07  99.345% * 99.5343% (1.00  10.0 10.00   2.00  41.71) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   6.10 +/- 0.40   0.622% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  11.16 +/- 0.88   0.018% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  12.74 +/- 0.61   0.008% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  13.59 +/- 1.78   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  17.05 +/- 1.70   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.19 +/- 1.78   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  31.23 +/- 2.78   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  33.15 +/- 3.25   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 41.7:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.998% * 99.6568% (1.00  10.0 10.00   2.84  41.71) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  11.94 +/- 0.96   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  17.89 +/- 1.70   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  18.38 +/- 1.64   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  15.25 +/- 0.84   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  24.06 +/- 1.08   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.3:
    * O T HB2   TRP   87 - HA    TRP   87   2.24 +/- 0.01 100.000% * 99.9010% (1.00  10.0 10.00   4.31  70.32) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  17.87 +/- 0.73   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.3:
    * O T HB3   TRP   87 - HA    TRP   87   2.94 +/- 0.02  99.998% * 99.8563% (1.00  10.0 10.00   4.31  70.32) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  18.30 +/- 0.71   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  23.70 +/- 1.52   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.3:
    * O T HA    TRP   87 - HB2   TRP   87   2.24 +/- 0.01  99.997% * 99.8808% (1.00  10.0 10.00   4.31  70.32) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  13.33 +/- 1.41   0.003% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  18.72 +/- 1.13   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  26.97 +/- 1.38   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.3:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  70.32) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  18.27 +/- 0.63   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  21.69 +/- 1.49   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.3:
    * O T HA    TRP   87 - HB3   TRP   87   2.94 +/- 0.02  99.991% * 99.3033% (1.00  10.0 10.00   4.31  70.32) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  18.40 +/- 1.08   0.002% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  14.68 +/- 1.29   0.007% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  26.82 +/- 1.24   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.3:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  70.32) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  15.13 +/- 0.73   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.17, residual support = 11.4:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  99.930% * 99.6403% (1.00  10.0 10.00   2.17  11.41) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.60 +/- 0.71   0.062% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.69 +/- 0.70   0.007% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  17.97 +/- 1.83   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  18.78 +/- 1.13   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  23.90 +/- 1.20   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  20.96 +/- 0.79   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  27.47 +/- 1.17   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.17, residual support = 11.4:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  99.554% * 97.3461% (1.00  10.0 10.00   2.17  11.41) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   5.28 +/- 0.18   0.435% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.56 +/- 0.34   0.007% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  13.43 +/- 1.49   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  14.07 +/- 1.18   0.001% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  19.68 +/- 1.12   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  19.03 +/- 0.62   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  19.23 +/- 0.73   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  22.36 +/- 1.01   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  22.95 +/- 0.82   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.54 +/- 0.71   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.7:
    * O T HB    ILE   89 - HA    ILE   89   3.00 +/- 0.03  99.813% * 99.6008% (0.80  10.0 10.00   5.44 215.70) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89  10.53 +/- 0.63   0.057% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.05 +/- 1.17   0.100% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  12.29 +/- 1.76   0.028% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  20.05 +/- 1.07   0.001% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  20.18 +/- 0.93   0.001% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 215.7:
    * O T QG2   ILE   89 - HA    ILE   89   2.32 +/- 0.23  99.952% * 99.9320% (1.00  10.0 10.00   6.28 215.70) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   8.76 +/- 0.66   0.046% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  16.46 +/- 1.53   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 215.7:
    * O T HG12  ILE   89 - HA    ILE   89   2.88 +/- 0.41  99.969% * 99.3078% (1.00  10.0 10.00   5.78 215.70) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  14.28 +/- 1.31   0.010% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  13.83 +/- 1.11   0.015% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  22.26 +/- 0.90   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  19.81 +/- 1.62   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  21.00 +/- 0.85   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  22.05 +/- 1.45   0.001% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  21.33 +/- 0.66   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 215.7:
    * O T HA    ILE   89 - HB    ILE   89   3.00 +/- 0.03  99.742% * 99.2091% (0.80  10.0 10.00   5.44 215.70) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43  10.53 +/- 0.63   0.057% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89   9.51 +/- 0.36   0.101% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.34 +/- 0.60   0.021% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.37 +/- 0.82   0.014% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  16.87 +/- 1.02   0.003% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  13.05 +/- 1.11   0.017% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.62 +/- 1.09   0.013% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.58 +/- 0.80   0.005% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  12.49 +/- 0.79   0.021% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  22.74 +/- 1.03   0.001% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  24.57 +/- 1.21   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.32 +/- 1.27   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  19.27 +/- 1.18   0.002% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  27.01 +/- 1.79   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.70 +/- 0.78   0.002% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 215.7:
    * O T QG2   ILE   89 - HB    ILE   89   2.11 +/- 0.02  99.692% * 99.5317% (0.80  10.0 10.00   5.75 215.70) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   7.69 +/- 0.46   0.046% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   6.82 +/- 0.62   0.129% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   6.99 +/- 1.10   0.113% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43   9.75 +/- 1.12   0.020% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  16.73 +/- 1.81   0.001% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.18, residual support = 215.7:
    * O T HG12  ILE   89 - HB    ILE   89   2.62 +/- 0.15  99.767% * 98.9436% (0.80  10.0 10.00   5.18 215.70) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43   8.66 +/- 0.83   0.097% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.00 +/- 0.55   0.069% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.03 +/- 0.69   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  12.29 +/- 1.09   0.011% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.88 +/- 0.83   0.022% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  16.60 +/- 1.00   0.002% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  11.98 +/- 1.11   0.013% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  22.11 +/- 1.02   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.79 +/- 0.97   0.008% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  20.69 +/- 1.67   0.000% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  17.82 +/- 0.83   0.001% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  19.69 +/- 0.99   0.001% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  19.73 +/- 0.89   0.001% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  21.44 +/- 1.53   0.000% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  20.59 +/- 0.90   0.000% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 215.7:
    * O T HA    ILE   89 - QG2   ILE   89   2.32 +/- 0.23  99.940% * 99.5272% (1.00  10.0 10.00   6.28 215.70) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.37 +/- 0.38   0.031% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89   9.76 +/- 0.86   0.023% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  12.72 +/- 0.71   0.005% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  18.68 +/- 0.69   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  20.40 +/- 0.71   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  16.23 +/- 0.76   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.86 +/- 1.37   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 215.7:
    * O T HB    ILE   89 - QG2   ILE   89   2.11 +/- 0.02  99.870% * 99.0138% (0.80  10.0 10.00   5.75 215.70) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   7.69 +/- 0.46   0.046% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.60 +/- 0.95   0.068% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89   9.50 +/- 1.29   0.015% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  16.38 +/- 0.63   0.000% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  16.55 +/- 0.53   0.000% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 215.7:
    * O T HG12  ILE   89 - QG2   ILE   89   3.13 +/- 0.16  99.749% * 99.3078% (1.00  10.0 10.00   6.12 215.70) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   9.25 +/- 1.00   0.193% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  12.29 +/- 0.84   0.032% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  18.19 +/- 0.55   0.003% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  16.85 +/- 1.34   0.005% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  15.99 +/- 0.66   0.006% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  16.04 +/- 1.32   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  15.78 +/- 0.56   0.006% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 215.7:
    * O T HA    ILE   89 - HG12  ILE   89   2.88 +/- 0.41  99.529% * 98.5945% (1.00  10.0 10.00   5.78 215.70) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   8.74 +/- 1.20   0.271% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.001%
          HB3   SER   82 - HG12  ILE   89  10.09 +/- 1.26   0.106% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  10.88 +/- 1.14   0.063% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  15.58 +/- 1.44   0.005% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  22.26 +/- 0.90   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  15.41 +/- 1.00   0.006% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  14.81 +/- 1.25   0.007% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  21.80 +/- 1.07   0.001% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.76 +/- 1.54   0.001% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  23.71 +/- 1.22   0.001% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  27.07 +/- 1.85   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.65 +/- 0.68   0.005% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  19.05 +/- 1.01   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  23.75 +/- 1.32   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.93 +/- 0.87   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.681, support = 5.28, residual support = 208.3:
    * O T HB    ILE   89 - HG12  ILE   89   2.62 +/- 0.15  34.374% * 78.0851% (0.80  10.0 10.00   5.18 215.70) =  82.685%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.50 +/- 0.20  47.047% *  6.1021% (0.06  10.0 10.00   6.44 172.83) =   8.844%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.95 +/- 0.21  18.525% * 14.8429% (0.15  10.0  1.00   5.05 172.83) =   8.471%  kept
        T HB    VAL   43 - HG12  ILE   89   8.66 +/- 0.83   0.032% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89   9.97 +/- 1.40   0.016% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.03 +/- 0.69   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.10 +/- 1.28   0.002% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.43 +/- 1.02   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  22.11 +/- 1.02   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.73 +/- 0.92   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.35 +/- 1.08   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.23 +/- 0.89   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 215.7:
    * O T QG2   ILE   89 - HG12  ILE   89   3.13 +/- 0.16  65.638% * 99.5013% (1.00  10.0 10.00   6.12 215.70) =  99.996%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.80 +/- 1.17  33.512% *  0.0062% (0.06   1.0  1.00   0.02  16.99) =   0.003%
          QG1   VAL   83 - HG12  ILE   89   6.86 +/- 1.12   0.833% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HG3   LYS+  99  18.19 +/- 0.55   0.002% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  15.25 +/- 1.75   0.012% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  16.21 +/- 1.05   0.004% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 90.0:
    * O T HB2   GLN   90 - HA    GLN   90   2.42 +/- 0.16  99.989% * 98.5005% (0.78  10.0 10.00   3.96  90.03) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  11.97 +/- 1.48   0.010% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  23.54 +/- 1.63   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  22.88 +/- 1.10   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  26.74 +/- 0.95   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  30.46 +/- 0.85   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 90.0:
    * O T HB3   GLN   90 - HA    GLN   90   2.94 +/- 0.12  99.307% * 99.0333% (0.82  10.0 10.00   3.97  90.03) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   8.04 +/- 1.17   0.367% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   90   7.82 +/- 0.17   0.285% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  12.59 +/- 0.98   0.018% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  14.30 +/- 2.04   0.011% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  15.50 +/- 1.70   0.006% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  19.18 +/- 1.85   0.002% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  19.95 +/- 1.33   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  20.01 +/- 1.06   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  23.33 +/- 1.17   0.000% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  20.69 +/- 1.44   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  29.67 +/- 0.80   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  29.47 +/- 1.51   0.000% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 90.0:
    * O T QG    GLN   90 - HA    GLN   90   2.71 +/- 0.38  99.884% * 99.3855% (0.88  10.0 10.00   3.31  90.03) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   9.11 +/- 0.50   0.105% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  13.53 +/- 1.10   0.008% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  19.23 +/- 1.29   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  19.47 +/- 0.94   0.001% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.16 +/- 1.91   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  25.59 +/- 1.63   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  22.53 +/- 1.21   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  33.19 +/- 2.61   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 90.0:
    * O T HA    GLN   90 - HB2   GLN   90   2.42 +/- 0.16  99.981% * 98.8405% (0.78  10.0 10.00   3.96  90.03) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  11.97 +/- 1.48   0.010% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.50 +/- 1.60   0.005% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.98 +/- 0.93   0.000% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.35 +/- 0.61   0.001% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  16.27 +/- 1.60   0.001% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.60 +/- 1.46   0.000% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  19.46 +/- 0.58   0.000% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.00 +/- 1.20   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.69 +/- 0.58   0.000% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 90.0:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.940% * 96.7995% (0.67  10.0 10.00   3.99  90.03) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   6.76 +/- 0.45   0.033% *  0.0752% (0.52   1.0  1.00   0.02   1.49) =   0.000%
          QB    LYS+  81 - HB2   GLN   90   8.15 +/- 1.48   0.018% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.75 +/- 0.47   0.007% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  14.11 +/- 1.76   0.000% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  13.62 +/- 1.28   0.001% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  13.39 +/- 0.79   0.001% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  16.08 +/- 1.85   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  17.24 +/- 1.69   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.60 +/- 0.73   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  17.41 +/- 0.91   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  17.37 +/- 1.29   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.52 +/- 1.25   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.58 +/- 1.52   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  20.13 +/- 1.96   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  31.21 +/- 0.94   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  21.39 +/- 1.40   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  21.68 +/- 1.27   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  22.34 +/- 2.17   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  24.86 +/- 1.09   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  23.96 +/- 1.04   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.75 +/- 1.17   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  22.09 +/- 1.80   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.00 +/- 0.93   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  27.37 +/- 0.95   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  31.54 +/- 1.37   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 90.0:
    * O T QG    GLN   90 - HB2   GLN   90   2.35 +/- 0.12  99.952% * 96.7466% (0.72  10.0 10.00   3.63  90.03) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.40 +/- 2.33   0.016% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  13.98 +/- 0.99   0.002% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.69 +/- 0.70   0.005% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90  10.04 +/- 0.86   0.020% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  15.75 +/- 0.87   0.001% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.88 +/- 0.76   0.001% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  26.04 +/- 2.82   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.85 +/- 1.69   0.000% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  24.01 +/- 1.34   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.31 +/- 1.59   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.40 +/- 1.16   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  21.25 +/- 1.02   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  18.19 +/- 1.99   0.001% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  35.01 +/- 2.63   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  23.05 +/- 0.70   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.04 +/- 1.78   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.50 +/- 1.63   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 90.0:
    * O T HA    GLN   90 - HB3   GLN   90   2.94 +/- 0.12  99.957% * 99.7400% (0.82  10.0 10.00   3.97  90.03) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  13.76 +/- 1.73   0.033% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  18.61 +/- 0.80   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  15.35 +/- 1.68   0.007% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  19.07 +/- 0.79   0.001% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 90.0:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 98.2851% (0.67  10.0 10.00   3.99  90.03) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.11 +/- 1.76   0.000% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  25.31 +/- 1.85   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  24.60 +/- 1.54   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  28.10 +/- 1.05   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  31.73 +/- 1.24   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 90.0:
    * O T QG    GLN   90 - HB3   GLN   90   2.43 +/- 0.14  99.945% * 99.3855% (0.75  10.0 10.00   3.63  90.03) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.44 +/- 1.05   0.052% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  15.63 +/- 0.86   0.002% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  21.30 +/- 1.20   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  20.57 +/- 1.16   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.04 +/- 1.85   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.68 +/- 1.56   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  24.31 +/- 1.58   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  35.17 +/- 2.53   0.000% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 90.0:
    * O T HA    GLN   90 - QG    GLN   90   2.71 +/- 0.38  99.953% * 99.7400% (0.88  10.0 10.00   3.31  90.03) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  12.69 +/- 1.46   0.020% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  13.56 +/- 1.84   0.021% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  17.13 +/- 0.62   0.002% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  15.94 +/- 0.58   0.003% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 90.0:
    * O T HB2   GLN   90 - QG    GLN   90   2.35 +/- 0.12  99.983% * 97.8434% (0.72  10.0 10.00   3.63  90.03) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.40 +/- 2.33   0.016% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  20.33 +/- 1.64   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  20.98 +/- 1.76   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  23.68 +/- 0.74   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.92 +/- 0.87   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 90.0:
    * O T HB3   GLN   90 - QG    GLN   90   2.43 +/- 0.14  98.582% * 98.5216% (0.75  10.0 10.00   3.63  90.03) =  99.998%  kept
          QB    LYS+  81 - QG    GLN   90   6.83 +/- 2.04   1.238% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   MET   92 - QG    GLN   90   8.03 +/- 1.10   0.150% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG    GLN   90  10.96 +/- 1.37   0.021% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  14.16 +/- 1.60   0.003% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.79 +/- 1.31   0.002% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  16.30 +/- 1.69   0.001% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  17.80 +/- 1.45   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  17.95 +/- 1.16   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  20.86 +/- 1.01   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  20.09 +/- 0.97   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  26.20 +/- 0.87   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  27.01 +/- 1.42   0.000% *  0.0621% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.9:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.01  99.981% * 98.3255% (1.00  10.0 10.00   2.26  12.86) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.67 +/- 1.39   0.017% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  16.95 +/- 0.97   0.000% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  23.31 +/- 0.76   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  15.61 +/- 1.14   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  21.28 +/- 0.64   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  24.01 +/- 1.21   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  25.83 +/- 1.63   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.87 +/- 0.69   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  31.94 +/- 1.43   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.26, residual support = 12.9:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.01  96.666% * 99.0540% (1.00  10.0 10.00   2.26  12.86) =  99.999%  kept
          HA    ALA  110 - QB    ALA   91   8.57 +/- 1.92   3.157% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - QB    ALA   91  10.67 +/- 1.91   0.014% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   6.68 +/- 0.68   0.126% *  0.0096% (0.10   1.0  1.00   0.02   0.93) =   0.000%
          HA    PRO   52 - QB    ALA   91   9.01 +/- 1.13   0.025% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  10.66 +/- 1.47   0.010% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  16.95 +/- 0.97   0.000% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  23.31 +/- 0.76   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  17.79 +/- 0.69   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  17.18 +/- 0.40   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.34 +/- 1.00   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.50 +/- 1.22   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  24.07 +/- 0.57   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.66 +/- 1.25   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.48 +/- 1.55   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.1:
    * O T HA    PRO   93 - HD2   PRO   93   3.97 +/- 0.04 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.15) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.1:
    * O T HB2   PRO   93 - HD2   PRO   93   3.98 +/- 0.09  63.003% * 99.2584% (0.73  10.0 10.00   5.40 132.15) =  99.980%  kept
          HG3   PRO   52 - HD2   PRO   93   4.70 +/- 1.09  34.441% *  0.0306% (0.22   1.0  1.00   0.02   1.01) =   0.017%
          HB    VAL  108 - HD2   PRO   93   7.20 +/- 0.90   2.244% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HD2   PRO   93  10.73 +/- 1.27   0.206% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.60 +/- 1.60   0.077% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  14.95 +/- 1.26   0.025% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  23.66 +/- 2.05   0.002% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  22.66 +/- 1.14   0.002% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.04 +/- 0.67   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  29.29 +/- 1.81   0.000% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  37.84 +/- 2.25   0.000% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.1:
    * O T HG2   PRO   93 - HD2   PRO   93   2.64 +/- 0.28  97.363% * 99.4388% (0.73  10.0 10.00   4.00 132.15) =  99.999%  kept
          HB3   PRO   52 - HD2   PRO   93   5.22 +/- 1.00   2.631% *  0.0307% (0.22   1.0  1.00   0.02   1.01) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  17.46 +/- 1.30   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.78 +/- 1.15   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.57 +/- 1.22   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.54 +/- 0.73   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  20.24 +/- 1.02   0.001% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  22.79 +/- 0.92   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.23 +/- 1.52   0.001% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  23.10 +/- 1.29   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.1:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.902% * 98.6805% (0.65  10.0 10.00   4.00 132.15) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   6.97 +/- 1.13   0.044% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   6.91 +/- 1.23   0.050% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.81 +/- 1.52   0.003% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.54 +/- 1.00   0.001% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  23.55 +/- 1.35   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.1:
    * O T HA    PRO   93 - HD3   PRO   93   3.80 +/- 0.04  99.996% * 99.8223% (0.90  10.0 10.00   5.31 132.15) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  21.24 +/- 1.34   0.004% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.06, 3.34, 50.24 ppm):
    22 chemical-shift based assignments, quality = 0.862, support = 5.18, residual support = 124.7:
    * O T HB2   PRO   93 - HD3   PRO   93   3.76 +/- 0.28  27.793% * 95.1516% (0.90  10.0 10.00   5.40 132.15) =  94.359%  kept
          HG3   PRO   52 - HD3   PRO   93   3.17 +/- 1.12  71.710% *  2.2026% (0.28   1.0  1.00   1.50   1.01) =   5.636%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.33 +/- 1.20   0.135% *  0.8254% (0.78   1.0 10.00   0.02   0.02) =   0.004%
          HB    VAL  108 - HD3   PRO   93   8.61 +/- 0.88   0.259% *  0.0762% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  12.04 +/- 1.32   0.030% *  0.0294% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  14.35 +/- 1.22   0.009% *  0.0636% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  15.40 +/- 0.91   0.008% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  12.07 +/- 1.26   0.032% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  23.63 +/- 2.04   0.001% *  0.2646% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  20.35 +/- 1.33   0.001% *  0.1693% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.95 +/- 0.84   0.003% *  0.0471% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  20.34 +/- 2.21   0.002% *  0.0696% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  23.83 +/- 1.28   0.001% *  0.1469% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  29.00 +/- 1.86   0.000% *  0.3571% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  22.79 +/- 1.15   0.001% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  16.85 +/- 1.35   0.005% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.82 +/- 0.84   0.005% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.53 +/- 0.86   0.004% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  37.57 +/- 2.24   0.000% *  0.3912% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  21.94 +/- 1.28   0.001% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.88 +/- 0.73   0.000% *  0.0463% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.46 +/- 1.23   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.886, support = 3.95, residual support = 129.9:
    * O T HG2   PRO   93 - HD3   PRO   93   2.54 +/- 0.30  81.287% * 88.9398% (0.90  10.0 10.00   4.00 132.15) =  98.317%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.04 +/- 0.90  12.016% * 10.2941% (0.28   1.0 10.00   0.75   1.01) =   1.682%  kept
          QB    LYS+  66 - HD3   PRO   68   4.66 +/- 0.89   6.252% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  65 - HD3   PRO   68   6.84 +/- 1.07   0.359% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  10.23 +/- 1.46   0.037% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  11.16 +/- 0.46   0.012% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  10.41 +/- 1.41   0.027% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  17.57 +/- 1.16   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.52 +/- 1.06   0.001% *  0.0743% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.17 +/- 0.98   0.003% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  21.85 +/- 1.53   0.000% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.59 +/- 1.35   0.001% *  0.0504% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  20.80 +/- 1.09   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.51 +/- 0.69   0.000% *  0.0821% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  16.90 +/- 1.78   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  23.04 +/- 0.99   0.000% *  0.0712% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  20.67 +/- 1.29   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.10 +/- 1.77   0.001% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  22.68 +/- 1.33   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  25.81 +/- 0.80   0.000% *  0.0489% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.1:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.999% * 99.5607% (0.65  10.0 10.00   4.00 132.15) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  12.33 +/- 1.09   0.001% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.99 +/- 0.97   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  23.55 +/- 1.35   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  21.37 +/- 1.11   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  25.34 +/- 0.85   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.1:
    * O T HB2   PRO   93 - HA    PRO   93   2.47 +/- 0.21  98.971% * 99.2584% (1.00  10.0 10.00   5.98 132.15) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   5.73 +/- 0.87   0.839% *  0.0306% (0.31   1.0  1.00   0.02   1.01) =   0.000%
          HB    VAL  108 - HA    PRO   93   7.60 +/- 1.06   0.158% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  10.78 +/- 0.90   0.017% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  11.97 +/- 1.13   0.009% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.25 +/- 1.21   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  20.12 +/- 1.80   0.000% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  19.22 +/- 0.91   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.69 +/- 0.59   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  25.95 +/- 1.66   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  34.53 +/- 2.20   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.1:
    * O T HG2   PRO   93 - HA    PRO   93   3.91 +/- 0.04  97.157% * 99.4388% (1.00  10.0 10.00   5.31 132.15) =  99.999%  kept
          HB3   PRO   52 - HA    PRO   93   7.32 +/- 0.64   2.725% *  0.0307% (0.31   1.0  1.00   0.02   1.01) =   0.001%
          QB    LYS+  66 - HA    PRO   93  15.74 +/- 1.16   0.026% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  15.78 +/- 1.02   0.025% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.66 +/- 1.54   0.027% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  17.38 +/- 0.87   0.013% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  19.01 +/- 0.59   0.008% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  19.61 +/- 0.74   0.006% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  19.40 +/- 1.45   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.97 +/- 0.96   0.006% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.1:
    * O T HD2   PRO   93 - HA    PRO   93   3.97 +/- 0.04  99.535% * 99.7770% (0.73  10.0 10.00   5.31 132.15) =  99.999%  kept
          HA    THR   77 - HA    PRO   93   9.96 +/- 0.79   0.446% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HA    PRO   93  16.58 +/- 0.77   0.019% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.40 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.1:
    * O T HD3   PRO   93 - HA    PRO   93   3.80 +/- 0.04  82.439% * 98.6805% (0.90  10.0 10.00   5.31 132.15) =  99.977%  kept
          HB3   CYS   53 - HA    PRO   93   5.40 +/- 1.03  15.779% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.021%
          QB    PHE   55 - HA    PRO   93   7.88 +/- 0.91   1.254% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    PRO   93   9.69 +/- 1.38   0.455% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PRO   93  12.43 +/- 0.92   0.071% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  21.24 +/- 1.34   0.003% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.1:
    * O T HG2   PRO   93 - HB2   PRO   93   2.62 +/- 0.29  99.132% * 99.0260% (1.00  10.0 10.00   5.40 132.15) =  99.998%  kept
        T HB3   PRO   52 - HB2   PRO   93   6.92 +/- 0.84   0.534% *  0.3056% (0.31   1.0 10.00   0.02   1.01) =   0.002%
          HB2   LEU   71 - HG3   GLN   30   7.89 +/- 0.87   0.203% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.59 +/- 1.51   0.096% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.72 +/- 1.28   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.78 +/- 1.21   0.004% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  13.05 +/- 1.46   0.011% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.28 +/- 1.75   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.88 +/- 1.27   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.38 +/- 0.90   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  19.82 +/- 1.14   0.001% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  17.97 +/- 1.45   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  23.06 +/- 2.27   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  19.57 +/- 1.44   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.65 +/- 1.41   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.69 +/- 0.87   0.002% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.08 +/- 1.87   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.13 +/- 1.00   0.002% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.68 +/- 1.75   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.64 +/- 2.10   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.1:
    * O T HD2   PRO   93 - HB2   PRO   93   3.98 +/- 0.09  95.152% * 99.6822% (0.73  10.0 10.00   5.40 132.15) =  99.999%  kept
          HB2   TRP   27 - HG3   GLN   30   6.77 +/- 0.60   4.605% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HB2   PRO   93  11.85 +/- 1.26   0.199% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  17.91 +/- 1.44   0.015% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  16.10 +/- 1.70   0.027% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  23.66 +/- 2.05   0.003% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.4, residual support = 132.1:
    * O T HD3   PRO   93 - HB2   PRO   93   3.76 +/- 0.28  67.689% * 97.4649% (0.90  10.0 10.00   5.40 132.15) =  99.948%  kept
          HB3   CYS   53 - HB2   PRO   93   5.20 +/- 1.94  26.993% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.044%
          QB    PHE   55 - HB2   PRO   93   6.51 +/- 1.11   3.493% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB2   PHE   59 - HB2   PRO   93   8.15 +/- 1.54   1.713% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   PRO   93  11.43 +/- 1.70   0.089% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB2   PRO   93  20.35 +/- 1.33   0.004% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.95 +/- 0.84   0.007% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  23.63 +/- 2.04   0.002% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  26.70 +/- 2.41   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  21.29 +/- 1.89   0.003% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  21.21 +/- 2.34   0.003% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  23.44 +/- 1.66   0.002% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.1:
    * O T HA    PRO   93 - HG2   PRO   93   3.91 +/- 0.04 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.15) = 100.000%  kept
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.1:
    * O T HB2   PRO   93 - HG2   PRO   93   2.62 +/- 0.29  96.031% * 98.7141% (1.00  10.0 10.00   5.40 132.15) =  99.988%  kept
        T HG3   PRO   52 - HG2   PRO   93   5.06 +/- 1.07   3.643% *  0.3047% (0.31   1.0 10.00   0.02   1.01) =   0.012%
          HB    VAL  108 - HG2   PRO   93   8.24 +/- 1.08   0.212% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  10.37 +/- 1.81   0.039% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.19 +/- 1.26   0.066% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  13.32 +/- 1.50   0.009% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  23.06 +/- 2.27   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  22.14 +/- 1.45   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.72 +/- 1.13   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.83 +/- 1.98   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  36.35 +/- 2.35   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.1:
    * O T HD2   PRO   93 - HG2   PRO   93   2.64 +/- 0.28  99.989% * 99.7770% (0.73  10.0 10.00   4.00 132.15) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  13.26 +/- 1.54   0.011% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  19.91 +/- 1.61   0.001% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.1:
    * O T HD3   PRO   93 - HG2   PRO   93   2.54 +/- 0.30  95.623% * 98.6805% (0.90  10.0 10.00   4.00 132.15) =  99.996%  kept
          QB    PHE   55 - HG2   PRO   93   5.36 +/- 1.33   2.792% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - HG2   PRO   93   5.84 +/- 1.40   1.453% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG2   PRO   93   8.75 +/- 1.66   0.114% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  10.96 +/- 1.27   0.018% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  21.85 +/- 1.53   0.000% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - HA    THR   94   3.03 +/- 0.07  99.854% * 99.2375% (0.84  10.0 10.00   2.43  25.25) = 100.000%  kept
          QB    SER  117 - HA    THR   94  11.43 +/- 0.95   0.043% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.10 +/- 0.74   0.017% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  13.05 +/- 0.53   0.017% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  10.92 +/- 0.78   0.050% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.51 +/- 0.67   0.009% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.48 +/- 0.78   0.004% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.34 +/- 0.97   0.004% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.60 +/- 0.76   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.57 +/- 0.67   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.39 +/- 0.25  99.976% * 99.7175% (1.00  10.0 10.00   2.95  25.25) = 100.000%  kept
          HB3   LYS+ 112 - HA    THR   94  13.05 +/- 1.19   0.006% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  10.98 +/- 1.62   0.015% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  14.36 +/- 1.12   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  18.36 +/- 0.56   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HA    THR   94 - HB    THR   94   3.03 +/- 0.07  99.915% * 99.9751% (0.84  10.0 10.00   2.43  25.25) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94  10.10 +/- 0.82   0.085% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  99.992% * 99.7175% (0.84  10.0 10.00   2.43  25.25) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  11.23 +/- 1.79   0.007% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.58 +/- 1.36   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  16.73 +/- 1.24   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  18.01 +/- 0.86   0.000% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.39 +/- 0.25  99.963% * 99.9751% (1.00  10.0 10.00   2.95  25.25) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.31 +/- 0.45   0.037% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.954% * 99.2375% (0.84  10.0 10.00   2.43  25.25) = 100.000%  kept
          QB    SER   85 - QG2   THR   94   8.96 +/- 0.63   0.021% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  11.10 +/- 0.76   0.006% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.81 +/- 0.79   0.007% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  10.65 +/- 0.65   0.007% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.79 +/- 0.54   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.15 +/- 0.70   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.55 +/- 0.71   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.64 +/- 0.66   0.000% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.62 +/- 0.66   0.000% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   2.96 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.66 +/- 0.25  99.992% * 99.8670% (1.00  10.0 10.00   4.00  73.51) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.69 +/- 1.09   0.007% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  20.16 +/- 0.77   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   2.96 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.998% * 99.8670% (1.00  10.0 10.00   3.31  73.51) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.27 +/- 0.94   0.002% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.89 +/- 0.71   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.66 +/- 0.25 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.51) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.51) = 100.000%  kept
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HA    MET   96   2.93 +/- 0.15  98.237% * 99.6213% (0.98  10.0 10.00   5.00 115.55) =  99.999%  kept
          HB2   ASP- 105 - HA    MET   96   6.33 +/- 0.78   1.734% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    MET   96  12.70 +/- 0.59   0.017% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.34 +/- 0.61   0.005% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.31 +/- 0.56   0.004% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  16.91 +/- 0.62   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.00 +/- 0.66   0.001% *  0.0564% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HA    MET   96   2.82 +/- 0.13  99.980% * 99.7402% (0.98  10.0 10.00   5.00 115.55) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  12.00 +/- 0.56   0.019% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.29 +/- 1.16   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.36 +/- 0.63   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  31.01 +/- 2.41   0.000% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HA    MET   96   3.00 +/- 0.61  99.991% * 99.6261% (0.98  10.0 10.00   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  15.75 +/- 1.32   0.009% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HA    MET   96   2.51 +/- 0.43  99.812% * 99.7437% (0.59  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   7.83 +/- 0.89   0.180% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.21 +/- 0.70   0.005% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.26 +/- 1.22   0.003% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  21.81 +/- 1.19   0.000% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB2   MET   96   2.93 +/- 0.15  99.830% * 99.9773% (0.98  10.0 10.00   5.00 115.55) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.81 +/- 0.73   0.170% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.999% * 99.7402% (1.00  10.0 10.00   5.00 115.55) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.68 +/- 0.70   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  20.83 +/- 1.43   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  20.17 +/- 0.77   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  29.48 +/- 2.71   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB2   MET   96   2.57 +/- 0.31  99.998% * 99.6261% (1.00  10.0 10.00   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  16.91 +/- 1.46   0.002% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HB2   MET   96   2.73 +/- 0.27  99.411% * 99.7437% (0.61  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96   7.10 +/- 1.02   0.583% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.33 +/- 0.69   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  19.82 +/- 1.33   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.55 +/- 1.36   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB3   MET   96   2.82 +/- 0.13  99.922% * 99.9773% (0.98  10.0 10.00   5.00 115.55) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.53 +/- 0.56   0.078% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.992% * 99.6213% (1.00  10.0 10.00   5.00 115.55) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   9.05 +/- 0.74   0.007% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.36 +/- 0.65   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.98 +/- 0.57   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.91 +/- 0.71   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.47 +/- 0.66   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  17.52 +/- 0.77   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB3   MET   96   2.77 +/- 0.22  99.996% * 99.6261% (1.00  10.0 10.00   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  15.66 +/- 1.29   0.004% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HB3   MET   96   2.88 +/- 0.14  97.798% * 99.7437% (0.61  10.0 10.00   4.44 115.55) =  99.999%  kept
          HB3   TRP   87 - HB3   MET   96   6.07 +/- 1.15   2.194% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB3   MET   96  15.14 +/- 0.75   0.005% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  21.06 +/- 1.23   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.17 +/- 1.25   0.002% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG2   MET   96   3.00 +/- 0.61  99.888% * 99.6779% (0.98  10.0 10.00   4.44 115.55) = 100.000%  kept
        T HA    MET   96 - HB2   PRO   52  15.75 +/- 1.32   0.009% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HG2   MET   96  10.76 +/- 0.71   0.101% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  20.08 +/- 1.11   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG2   MET   96   2.57 +/- 0.31  99.841% * 99.2205% (1.00  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.58 +/- 0.81   0.141% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  16.91 +/- 1.46   0.002% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.92 +/- 0.63   0.005% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.81 +/- 0.90   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  16.00 +/- 0.90   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  17.87 +/- 0.75   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  18.53 +/- 1.12   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  16.35 +/- 1.47   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  17.44 +/- 1.41   0.001% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  21.47 +/- 1.21   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  23.27 +/- 1.39   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  26.83 +/- 1.30   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.27 +/- 1.60   0.000% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG2   MET   96   2.77 +/- 0.22  99.380% * 99.3732% (1.00  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.80 +/- 0.76   0.602% *  0.0073% (0.07   1.0  1.00   0.02   1.77) =   0.000%
          HB2   LEU   40 - HG2   MET   96  12.61 +/- 0.80   0.014% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  15.66 +/- 1.29   0.004% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  22.68 +/- 1.67   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.30 +/- 0.96   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.19 +/- 2.78   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.18 +/- 1.14   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.58 +/- 1.43   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  38.75 +/- 2.00   0.000% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.948% * 99.2819% (0.61  10.0 10.00   4.00 115.55) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   6.69 +/- 1.01   0.051% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  17.41 +/- 1.46   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.35 +/- 1.16   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  20.61 +/- 1.53   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.75 +/- 0.86   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  15.31 +/- 1.72   0.000% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  14.96 +/- 1.50   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.08 +/- 1.33   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  35.22 +/- 1.93   0.000% *  0.0402% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG3   MET   96   2.51 +/- 0.43  99.973% * 99.9773% (0.59  10.0 10.00   4.44 115.55) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.75 +/- 0.63   0.027% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG3   MET   96   2.73 +/- 0.27  99.651% * 99.6213% (0.61  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   7.85 +/- 0.90   0.331% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.59 +/- 0.75   0.008% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.60 +/- 1.00   0.005% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.55 +/- 0.63   0.002% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  17.85 +/- 0.68   0.002% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  19.16 +/- 0.85   0.001% *  0.0564% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG3   MET   96   2.88 +/- 0.14  99.980% * 99.7402% (0.61  10.0 10.00   4.44 115.55) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  12.27 +/- 0.79   0.019% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.74 +/- 1.64   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.22 +/- 0.84   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  31.26 +/- 2.55   0.000% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.6261% (0.61  10.0 10.00   4.00 115.55) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  17.41 +/- 1.46   0.000% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HB2   PHE   97 - HA    PHE   97   2.94 +/- 0.20  99.180% * 99.7149% (1.00  10.0 10.00   2.89  62.65) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   97   7.85 +/- 1.01   0.337% *  0.0724% (0.73   1.0  1.00   0.02  10.06) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.56 +/- 0.64   0.399% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  10.94 +/- 1.17   0.054% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  12.47 +/- 0.84   0.020% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.31 +/- 0.92   0.009% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HB3   PHE   97 - HA    PHE   97   2.70 +/- 0.22  99.970% * 99.7224% (0.95  10.0 10.00   3.44  62.65) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.11 +/- 0.38   0.023% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  15.59 +/- 0.79   0.003% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  16.73 +/- 0.87   0.002% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  17.68 +/- 0.79   0.001% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HA    PHE   97 - HB2   PHE   97   2.94 +/- 0.20 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.65) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 99.7224% (0.95  10.0 10.00   3.31  62.65) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.70 +/- 0.76   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  13.90 +/- 0.90   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  16.76 +/- 1.25   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  19.75 +/- 0.74   0.000% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HA    PHE   97 - HB3   PHE   97   2.70 +/- 0.22 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.65) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.909% * 99.7149% (0.95  10.0 10.00   3.31  62.65) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.15 +/- 1.25   0.051% *  0.0724% (0.69   1.0  1.00   0.02  10.06) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   6.82 +/- 0.82   0.038% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  11.98 +/- 1.62   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  14.93 +/- 0.90   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.42 +/- 1.10   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.36, 2.36, 40.60 ppm):
    1 diagonal assignment:
    *     HB3   PHE   97 - HB3   PHE   97  (0.89)  kept
 
    Peak 1142 (5.51, 5.51, 53.84 ppm):
    1 diagonal assignment:
    *     HA    LEU   98 - HA    LEU   98  (1.00)  kept
 
    Peak 1143 (1.41, 5.51, 53.84 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 82.4:
    * O T QB    LEU   98 - HA    LEU   98   2.28 +/- 0.12  99.917% * 99.2568% (0.87  10.0 10.00   4.97  82.44) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  11.27 +/- 1.96   0.013% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.20 +/- 0.37   0.051% *  0.0226% (0.20   1.0  1.00   0.02   0.80) =   0.000%
          HB3   LEU   73 - HA    LEU   98  11.62 +/- 1.00   0.007% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.16 +/- 0.73   0.001% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  12.47 +/- 1.31   0.004% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  15.79 +/- 1.82   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  17.30 +/- 1.34   0.001% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.35 +/- 0.90   0.002% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  17.22 +/- 1.76   0.001% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.89 +/- 0.64   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  15.60 +/- 0.51   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  20.85 +/- 1.65   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.30 +/- 0.60   0.000% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.987, support = 4.71, residual support = 81.0:
    *   T QD1   LEU   98 - HA    LEU   98   2.76 +/- 0.44  73.231% * 94.9568% (1.00 10.00   4.73  82.44) =  98.117%  kept
          QD2   LEU  104 - HA    LEU   98   3.68 +/- 0.97  26.753% *  4.9888% (0.31  1.00   3.40   4.58) =   1.883%  kept
          QG2   ILE   19 - HA    LEU   98  13.40 +/- 1.18   0.008% *  0.0356% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.32 +/- 1.01   0.008% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 82.0:
    *   T QD2   LEU   98 - HA    LEU   98   3.65 +/- 0.51  89.352% * 93.2984% (1.00 10.00   4.39  82.44) =  99.305%  kept
          QG2   VAL   41 - HA    LEU   98   5.44 +/- 0.65  10.178% *  5.7302% (0.95  1.00   1.30  24.13) =   0.695%  kept
        T QD1   LEU   80 - HA    LEU   98  14.82 +/- 1.65   0.030% *  0.9330% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98   9.50 +/- 1.19   0.441% *  0.0384% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (5.51, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.97, residual support = 82.4:
    * O T HA    LEU   98 - QB    LEU   98   2.28 +/- 0.12 100.000% *100.0000% (0.87  10.0 10.00   4.97  82.44) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.76, residual support = 82.4:
    * O T QD1   LEU   98 - QB    LEU   98   2.19 +/- 0.16  98.076% * 99.3996% (0.87  10.0 10.00   3.76  82.44) =  99.999%  kept
          QD2   LEU  104 - QB    LEU   98   4.83 +/- 0.85   1.902% *  0.0307% (0.27   1.0  1.00   0.02   4.58) =   0.001%
        T QG2   ILE   19 - QB    LEU   98  10.57 +/- 1.30   0.013% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  10.62 +/- 0.97   0.010% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.861, support = 3.33, residual support = 74.9:
    * O T QD2   LEU   98 - QB    LEU   98   2.08 +/- 0.14  86.379% * 51.1151% (0.87  10.0 10.00   3.44  82.44) =  87.034%  kept
        T QG2   VAL   41 - QB    LEU   98   3.09 +/- 0.52  13.603% * 48.3528% (0.82   1.0 10.00   2.62  24.13) =  12.966%  kept
        T QD1   LEU   80 - QB    LEU   98  11.91 +/- 1.53   0.003% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98   9.10 +/- 1.12   0.015% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.73, residual support = 82.4:
    *   T HA    LEU   98 - QD1   LEU   98   2.76 +/- 0.44 100.000% *100.0000% (1.00 10.00   4.73  82.44) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.76, residual support = 82.4:
    * O T QB    LEU   98 - QD1   LEU   98   2.19 +/- 0.16  99.807% * 98.1517% (0.87  10.0 10.00   3.76  82.44) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   7.75 +/- 0.98   0.115% *  0.0224% (0.20   1.0  1.00   0.02   0.80) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  12.40 +/- 1.65   0.004% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.21 +/- 1.36   0.003% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  11.38 +/- 1.64   0.011% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   8.77 +/- 1.03   0.035% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  12.40 +/- 1.24   0.004% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  12.65 +/- 0.99   0.004% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.76 +/- 1.06   0.006% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.96 +/- 1.24   0.002% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.09 +/- 1.10   0.005% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.41 +/- 1.05   0.003% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  17.75 +/- 1.43   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.12 +/- 1.04   0.001% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 82.4:
    * O T QD2   LEU   98 - QD1   LEU   98   2.07 +/- 0.06  98.477% * 98.8770% (1.00  10.0 10.00   2.89  82.44) =  99.998%  kept
          QG2   VAL   41 - QD1   LEU   98   4.34 +/- 0.57   1.490% *  0.0935% (0.95   1.0  1.00   0.02  24.13) =   0.001%
        T QD1   LEU   80 - QD1   LEU   98  10.70 +/- 1.61   0.008% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   9.11 +/- 1.46   0.025% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 82.4:
    *   T HA    LEU   98 - QD2   LEU   98   3.65 +/- 0.51  99.967% * 99.4301% (1.00 10.00   4.39  82.44) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  14.82 +/- 1.65   0.033% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (1.41, 0.55, 25.87 ppm):
    28 chemical-shift based assignments, quality = 0.711, support = 3.63, residual support = 81.8:
    * O T QB    LEU   98 - QD2   LEU   98   2.08 +/- 0.14  45.062% * 50.3539% (0.87  10.0 10.00   3.44  82.44) =  67.022%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.02  40.177% * 16.1964% (0.28  10.0  1.00   3.84  80.53) =  19.220%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.66 +/- 0.42  14.505% * 32.1120% (0.55  10.0 10.00   4.30  80.53) =  13.758%  kept
          HB3   LYS+  74 - QD1   LEU   80   7.16 +/- 1.20   0.053% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  11.10 +/- 1.07   0.002% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   6.23 +/- 0.98   0.101% *  0.0115% (0.20   1.0  1.00   0.02   0.80) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  11.91 +/- 1.53   0.002% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   6.86 +/- 0.98   0.048% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   7.59 +/- 1.13   0.028% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  10.85 +/- 0.82   0.002% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  11.95 +/- 1.63   0.002% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.31 +/- 1.59   0.002% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  11.02 +/- 1.47   0.003% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.31 +/- 0.91   0.004% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  10.98 +/- 1.36   0.003% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  12.14 +/- 1.20   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  12.20 +/- 1.00   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.71 +/- 0.79   0.001% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  12.54 +/- 0.92   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.27 +/- 1.37   0.001% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.42 +/- 1.42   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  12.87 +/- 1.15   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  14.28 +/- 1.72   0.001% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  17.37 +/- 2.13   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  15.72 +/- 1.18   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  20.93 +/- 1.60   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  17.35 +/- 1.61   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  17.92 +/- 1.34   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 82.4:
    * O T QD1   LEU   98 - QD2   LEU   98   2.07 +/- 0.06  99.632% * 98.8641% (1.00  10.0 10.00   2.89  82.44) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.95 +/- 0.88   0.289% *  0.3051% (0.31   1.0 10.00   0.02   4.58) =   0.001%
        T QD1   LEU   98 - QD1   LEU   80  10.70 +/- 1.61   0.009% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   8.56 +/- 1.11   0.032% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.21 +/- 0.69   0.015% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.51 +/- 0.82   0.012% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  15.21 +/- 1.20   0.001% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  10.18 +/- 1.11   0.011% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 172.8:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.11 +/- 0.40  97.598% * 98.7502% (1.00  10.0 10.00   6.44 172.83) =  99.997%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.45 +/- 1.41   0.469% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    LYS+  99   6.28 +/- 0.44   1.783% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99  10.10 +/- 1.06   0.121% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  18.03 +/- 0.94   0.003% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  14.77 +/- 1.42   0.012% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  16.63 +/- 1.20   0.006% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  16.29 +/- 1.08   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.49 +/- 1.31   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.51 +/- 1.21   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.534, support = 5.85, residual support = 172.8:
      O T HB3   LYS+  99 - HA    LYS+  99   2.60 +/- 0.28  90.010% * 28.6795% (0.41  10.0 10.00   5.86 172.83) =  79.069%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.96 +/- 0.35   9.796% * 69.7607% (1.00   1.0 10.00   5.82 172.83) =  20.931%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.85 +/- 0.82   0.014% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   7.94 +/- 0.71   0.164% *  0.0155% (0.22   1.0  1.00   0.02   1.49) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  12.09 +/- 1.19   0.012% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  15.98 +/- 1.34   0.002% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.33 +/- 0.72   0.001% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.60 +/- 0.54   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.66 +/- 1.24   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.36 +/- 0.77   0.000% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 172.8:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.75 +/- 0.42  96.236% * 98.5233% (1.00  10.0 10.00   7.06 172.83) =  99.997%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.55 +/- 0.64   0.185% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+  99   6.36 +/- 0.70   3.518% *  0.0219% (0.22   1.0  1.00   0.02  17.10) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  11.10 +/- 0.50   0.028% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  13.34 +/- 0.80   0.011% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  13.95 +/- 1.63   0.009% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.82 +/- 0.60   0.005% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  17.69 +/- 1.02   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.28 +/- 1.28   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.33 +/- 0.62   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.76 +/- 1.68   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.94 +/- 0.78   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.32, residual support = 172.8:
    *   T QE    LYS+  99 - HA    LYS+  99   3.73 +/- 0.38  96.807% * 98.3577% (1.00 10.00   5.32 172.83) =  99.986%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.62 +/- 0.91   0.804% *  0.8821% (0.90 10.00   0.02   0.02) =   0.007%
        T QE    LYS+ 102 - HA    LYS+  99   8.55 +/- 0.63   0.863% *  0.6756% (0.69 10.00   0.02   1.49) =   0.006%
          HB2   PHE   97 - HA    LYS+  99   7.66 +/- 0.56   1.494% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  14.79 +/- 1.01   0.032% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 172.8:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.84 +/- 0.28  92.593% * 99.5483% (1.00  10.0 10.00   7.00 172.83) =  99.998%  kept
          HA    LEU   40 - HB2   LYS+  99   4.68 +/- 0.93   7.349% *  0.0248% (0.25   1.0  1.00   0.02  13.07) =   0.002%
          HA    ASN   35 - HB2   LYS+  99  10.50 +/- 0.60   0.043% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  13.72 +/- 1.66   0.009% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  21.30 +/- 1.20   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.03 +/- 0.83   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.04 +/- 1.40   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  16.94 +/- 1.60   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.38 +/- 1.39   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  21.83 +/- 1.16   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 172.8:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.50 +/- 0.20  99.786% * 98.7502% (1.00  10.0 10.00   6.44 172.83) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99  10.00 +/- 1.29   0.046% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.12 +/- 0.81   0.152% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.48 +/- 1.33   0.011% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  18.43 +/- 1.02   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  16.91 +/- 1.94   0.002% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  18.15 +/- 1.40   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  16.35 +/- 1.05   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  20.43 +/- 1.38   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.58 +/- 1.35   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.535, support = 4.87, residual support = 172.8:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  90.131% * 29.0322% (0.41  10.0   4.65 172.83) =  79.021%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.59 +/- 0.23   9.837% * 70.6187% (1.00  10.0   5.69 172.83) =  20.979%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.16 +/- 0.98   0.029% *  0.0157% (0.22   1.0   0.02   1.49) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  10.87 +/- 0.73   0.002% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.07 +/- 1.35   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  14.86 +/- 1.30   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.14 +/- 0.92   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.46 +/- 0.76   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.57 +/- 1.27   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.22 +/- 1.09   0.000% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 172.8:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.99 +/- 0.12  99.196% * 99.3871% (1.00  10.0   7.06 172.83) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   7.17 +/- 0.60   0.676% *  0.0221% (0.22   1.0   0.02  17.10) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.23 +/- 0.69   0.070% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.32 +/- 0.69   0.014% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  13.72 +/- 1.37   0.015% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  13.21 +/- 1.47   0.017% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.71 +/- 0.83   0.005% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  17.68 +/- 1.14   0.003% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.06 +/- 0.64   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.71 +/- 1.84   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  20.71 +/- 1.33   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.66 +/- 0.84   0.002% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 172.8:
    *     QE    LYS+  99 - HB2   LYS+  99   3.37 +/- 0.72  95.761% * 99.0478% (1.00   5.08 172.83) =  99.990%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.75 +/- 1.04   1.947% *  0.2677% (0.69   0.02   1.49) =   0.005%
          HB2   PHE   97 - HB2   LYS+  99   6.98 +/- 0.67   1.883% *  0.1602% (0.41   0.02   0.02) =   0.003%
          QE    LYS+  38 - HB2   LYS+  99   9.60 +/- 1.05   0.398% *  0.3495% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  16.82 +/- 0.80   0.011% *  0.1747% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 172.8:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.11 +/- 0.40  75.789% * 97.9094% (1.00  10.0 10.00   6.44 172.83) =  99.993%  kept
          HA    LEU   40 - HG3   LYS+  99   4.37 +/- 0.97  14.513% *  0.0244% (0.25   1.0  1.00   0.02  13.07) =   0.005%
          HA    ASN   35 - HG3   LYS+  38   4.86 +/- 0.89   8.727% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG3   LYS+  38   8.45 +/- 1.41   0.377% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG3   LYS+  99   9.49 +/- 0.71   0.121% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  14.07 +/- 1.55   0.013% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.09 +/- 0.88   0.424% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  18.03 +/- 0.94   0.003% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  22.95 +/- 1.31   0.001% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  16.59 +/- 1.17   0.005% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  16.50 +/- 1.93   0.004% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  22.75 +/- 0.91   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  20.60 +/- 1.57   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.34 +/- 1.37   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  21.64 +/- 1.01   0.001% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  18.35 +/- 1.08   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  18.71 +/- 0.96   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.46 +/- 1.88   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  29.00 +/- 1.27   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  20.38 +/- 2.26   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  20.90 +/- 1.37   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  19.35 +/- 0.99   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.56 +/- 1.45   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.68 +/- 1.72   0.006% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  19.29 +/- 2.31   0.003% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  23.60 +/- 1.11   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  30.24 +/- 1.37   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  25.27 +/- 1.34   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.54 +/- 1.50   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.66 +/- 1.22   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.89, support = 4.6, residual support = 178.3:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.84 +/- 0.50  40.161% * 89.0505% (1.00  10.0 10.00   4.65 172.83) =  87.827%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.60 +/- 0.45  59.461% *  8.3338% (0.09  10.0 10.00   4.27 217.82) =  12.169%  kept
        T QE    LYS+  38 - HG3   LYS+  99   7.95 +/- 1.06   0.127% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T QE    LYS+ 102 - HG3   LYS+  99   8.64 +/- 1.33   0.103% *  0.6117% (0.69   1.0 10.00   0.02   1.49) =   0.002%
        T QE    LYS+  99 - HG3   LYS+  38   8.56 +/- 1.19   0.078% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.10 +/- 0.60   0.041% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  11.78 +/- 1.74   0.013% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  15.86 +/- 2.26   0.002% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  18.59 +/- 1.10   0.001% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  12.47 +/- 0.84   0.006% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  13.45 +/- 1.08   0.004% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  23.21 +/- 1.16   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  17.69 +/- 1.00   0.001% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.01 +/- 1.58   0.002% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.43 +/- 1.09   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.81, residual support = 172.7:
    *   T HA    LYS+  99 - QD    LYS+  99   3.96 +/- 0.35  76.159% * 95.4053% (1.00 10.00   5.82 172.83) =  99.914%  kept
          HA    LEU   40 - QD    LYS+  99   4.97 +/- 0.64  22.839% *  0.2582% (0.25  1.00   0.22  13.07) =   0.081%
        T HA    LEU  123 - QD    LYS+  99  11.16 +/- 1.58   0.201% *  0.8276% (0.87 10.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - QD    LYS+ 106  11.85 +/- 0.82   0.133% *  0.7681% (0.81 10.00   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  14.35 +/- 1.52   0.048% *  0.7266% (0.76 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+  99  10.18 +/- 0.76   0.304% *  0.0921% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  15.85 +/- 0.86   0.022% *  0.6663% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.24 +/- 1.33   0.080% *  0.0642% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  19.82 +/- 1.14   0.006% *  0.9025% (0.95 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  13.18 +/- 0.78   0.068% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.27 +/- 1.18   0.046% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.70 +/- 1.22   0.011% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.06 +/- 0.97   0.007% *  0.0797% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  16.49 +/- 1.17   0.017% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.21 +/- 1.46   0.029% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.25 +/- 0.87   0.014% *  0.0119% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.62 +/- 1.16   0.006% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.21 +/- 1.48   0.007% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.04 +/- 1.16   0.004% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.42 +/- 0.81   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 172.8:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.41 +/- 0.15  99.552% * 97.4178% (1.00  10.0  1.00   5.85 172.83) = 100.000%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.55 +/- 2.31   0.027% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   9.03 +/- 0.92   0.047% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106   8.71 +/- 1.36   0.076% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.27 +/- 1.56   0.153% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.60 +/- 0.69   0.065% *  0.0217% (0.22   1.0  1.00   0.02  17.10) =   0.000%
          QB    ALA  124 - QD    LYS+  99  10.39 +/- 1.43   0.025% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.07 +/- 0.68   0.004% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.73 +/- 0.81   0.008% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  12.79 +/- 0.97   0.005% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.41 +/- 1.83   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.67 +/- 0.63   0.003% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.50 +/- 0.80   0.006% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.53 +/- 0.76   0.010% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.82 +/- 1.13   0.009% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.07 +/- 1.54   0.001% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  15.74 +/- 1.73   0.002% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.42 +/- 0.76   0.002% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  17.61 +/- 1.12   0.001% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.85 +/- 1.10   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  16.07 +/- 0.67   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.76 +/- 0.68   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.64 +/- 1.24   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  18.49 +/- 0.86   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 172.8:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.30 +/- 0.14  99.634% * 94.6730% (1.00  10.0 10.00   5.27 172.83) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.70 +/- 1.22   0.055% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   7.18 +/- 0.94   0.217% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106   9.61 +/- 1.48   0.032% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.92 +/- 0.78   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.29 +/- 1.24   0.016% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.54 +/- 1.83   0.009% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.49 +/- 0.82   0.001% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  10.70 +/- 1.51   0.016% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.65 +/- 1.31   0.008% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  17.62 +/- 1.31   0.001% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  15.51 +/- 0.89   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  18.63 +/- 1.03   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.78 +/- 1.48   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.82 +/- 1.53   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.50 +/- 0.81   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.18 +/- 1.44   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  17.79 +/- 0.87   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.29 +/- 1.42   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.82 +/- 1.36   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.33, residual support = 172.8:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.559% * 96.3213% (1.00  10.0 10.00   4.33 172.83) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   8.06 +/- 1.27   0.066% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - QD    LYS+  99   8.22 +/- 1.38   0.046% *  0.6616% (0.69   1.0 10.00   0.02   1.49) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.71 +/- 1.44   0.021% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.30 +/- 0.83   0.246% *  0.0319% (0.33   1.0  1.00   0.02  10.06) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.69 +/- 0.68   0.004% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.57 +/- 0.73   0.057% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.42 +/- 1.03   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.81 +/- 1.21   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.86 +/- 0.93   0.000% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.986, support = 5.26, residual support = 169.8:
    *   T HA    LYS+  99 - QE    LYS+  99   3.73 +/- 0.38  50.639% * 96.0563% (1.00 10.00   5.32 172.83) =  98.114%  kept
          HA    LEU   40 - QE    LYS+  99   3.86 +/- 0.44  42.182% *  2.2028% (0.25  1.00   1.84  13.07) =   1.874%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.55 +/- 0.63   0.431% *  0.6551% (0.68 10.00   0.02   1.49) =   0.006%
          HA    ASN   35 - QE    LYS+  38   5.88 +/- 1.09   5.122% *  0.0250% (0.26  1.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - QE    LYS+  38   8.62 +/- 0.91   0.393% *  0.2591% (0.27 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QE    LYS+  99  10.14 +/- 1.74   0.204% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+  99   9.92 +/- 0.67   0.172% *  0.0927% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  11.23 +/- 1.33   0.094% *  0.0632% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.50 +/- 1.10   0.528% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.36 +/- 0.72   0.138% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.45 +/- 1.34   0.033% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  18.96 +/- 1.08   0.003% *  0.0909% (0.95  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.39 +/- 1.18   0.012% *  0.0240% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  18.76 +/- 1.19   0.003% *  0.0802% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  18.74 +/- 2.03   0.005% *  0.0568% (0.59  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  18.70 +/- 2.65   0.006% *  0.0225% (0.23  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  17.48 +/- 1.39   0.006% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.32 +/- 1.00   0.001% *  0.0547% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.11 +/- 1.44   0.001% *  0.0620% (0.65  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.34 +/- 1.20   0.004% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.33 +/- 1.85   0.010% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.38 +/- 1.01   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  18.52 +/- 2.31   0.006% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  21.07 +/- 1.32   0.002% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  27.06 +/- 1.53   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.26 +/- 0.93   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  27.73 +/- 1.74   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  23.68 +/- 1.42   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.26 +/- 1.38   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  25.96 +/- 1.32   0.000% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.477, support = 4.44, residual support = 172.8:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  83.545% * 59.3751% (0.41  10.0 10.00   4.33 172.83) =  88.821%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.06 +/- 0.62  16.295% * 38.3099% (1.00   1.0  1.00   5.31 172.83) =  11.178%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.22 +/- 1.38   0.039% *  0.4049% (0.28   1.0 10.00   0.02   1.49) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.06 +/- 1.27   0.049% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.71 +/- 1.44   0.018% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.18 +/- 1.16   0.037% *  0.0985% (0.68   1.0  1.00   0.02   1.49) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.69 +/- 0.68   0.003% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.76 +/- 1.04   0.010% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.50 +/- 0.83   0.001% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.21 +/- 0.82   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.42 +/- 1.03   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  17.73 +/- 2.21   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.68 +/- 1.23   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  19.98 +/- 1.06   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  15.71 +/- 1.58   0.001% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.51 +/- 0.95   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  22.75 +/- 1.19   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  24.52 +/- 1.25   0.000% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.883, support = 4.6, residual support = 178.7:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.84 +/- 0.50  39.777% * 88.1476% (1.00  10.0 10.00   4.65 172.83) =  86.980%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.60 +/- 0.45  58.788% *  8.9252% (0.10  10.0 10.00   4.27 217.82) =  13.016%  kept
        T HG3   LYS+  99 - QE    LYS+ 102   8.64 +/- 1.33   0.101% *  0.6011% (0.68   1.0 10.00   0.02   1.49) =   0.002%
          QG2   THR   39 - QE    LYS+  99   5.91 +/- 0.74   0.567% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   7.95 +/- 1.06   0.125% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QE    LYS+  99   8.56 +/- 1.19   0.077% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  38   7.28 +/- 1.32   0.499% *  0.0154% (0.17   1.0  1.00   0.02  22.87) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  11.78 +/- 1.74   0.013% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  99  10.17 +/- 1.10   0.023% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  15.86 +/- 2.26   0.002% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.06 +/- 0.81   0.007% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.27 +/- 1.36   0.002% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  18.59 +/- 1.10   0.001% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  12.13 +/- 1.36   0.008% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  16.48 +/- 1.25   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  16.26 +/- 0.99   0.001% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  14.88 +/- 1.03   0.002% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  18.13 +/- 2.36   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  19.82 +/- 1.30   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.74 +/- 1.33   0.000% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  17.40 +/- 1.54   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  20.12 +/- 1.05   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  23.21 +/- 1.16   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  17.58 +/- 1.42   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.08 +/- 1.50   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  21.41 +/- 0.82   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  22.05 +/- 1.54   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  24.76 +/- 1.26   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  21.29 +/- 1.33   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.30 +/- 1.59   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.99 +/- 0.11  95.674% * 99.1823% (1.00  10.0 10.00   4.26  75.74) =  99.997%  kept
        T HB2   GLU- 100 - HA    LYS+  38   5.29 +/- 0.68   4.104% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          HB3   PHE   97 - HA    GLU- 100  10.86 +/- 0.52   0.045% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  10.50 +/- 0.63   0.056% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.40 +/- 0.35   0.105% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  25.58 +/- 0.95   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.33 +/- 0.84   0.014% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  21.80 +/- 1.01   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  24.59 +/- 1.00   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.68 +/- 1.02   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.23 +/- 0.70   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.62 +/- 1.03   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.51 +/- 0.19  93.265% * 99.2716% (1.00  10.0 10.00   4.26  75.74) =  99.996%  kept
        T HB3   GLU- 100 - HA    LYS+  38   4.32 +/- 0.92   6.679% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN   30 - HA    GLU- 100  11.68 +/- 0.98   0.011% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  13.99 +/- 0.95   0.003% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  13.73 +/- 1.88   0.006% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.17 +/- 0.60   0.014% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  17.02 +/- 1.41   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  20.16 +/- 1.23   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.81 +/- 0.84   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  13.18 +/- 0.51   0.005% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  12.39 +/- 1.99   0.013% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  19.77 +/- 1.16   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.45 +/- 0.84   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.38 +/- 1.25   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.73 +/- 1.44   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.11 +/- 1.00   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  21.91 +/- 1.31   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.50 +/- 0.82   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.25 +/- 1.23   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  25.43 +/- 1.03   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  32.54 +/- 0.70   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.23 +/- 1.47   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.93 +/- 0.32  73.190% * 99.4988% (1.00  10.0 10.00   4.72  75.74) =  99.978%  kept
        T HG2   GLU- 100 - HA    LYS+  38   3.77 +/- 0.94  26.714% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.022%
          HB    VAL   70 - HA    GLU- 100  11.21 +/- 0.79   0.031% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU- 100  12.60 +/- 0.71   0.013% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.07 +/- 0.63   0.005% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  15.92 +/- 0.79   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  17.12 +/- 1.57   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.49 +/- 0.79   0.026% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  23.75 +/- 1.10   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.92 +/- 0.86   0.004% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.19 +/- 0.83   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.99 +/- 0.33   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.75 +/- 0.91   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  28.11 +/- 0.56   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.41 +/- 1.71   0.003% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  24.56 +/- 1.04   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.85 +/- 0.35   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  30.32 +/- 0.78   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.99 +/- 0.11  95.885% * 98.6741% (1.00  10.0 10.00   4.26  75.74) =  99.990%  kept
        T HA    LYS+  38 - HB2   GLU- 100   5.29 +/- 0.68   4.113% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.010%
        T HD2   PRO   58 - HB2   GLU- 100  27.61 +/- 0.60   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  20.45 +/- 1.34   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  27.86 +/- 0.61   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.74) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  14.26 +/- 0.95   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.59 +/- 0.94   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  15.32 +/- 1.86   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  17.86 +/- 1.63   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  20.10 +/- 1.16   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.05 +/- 0.83   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.28 +/- 0.92   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  21.60 +/- 1.16   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  25.59 +/- 1.32   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.16 +/- 0.70   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.98 +/- 0.12  99.953% * 99.5837% (1.00  10.0 10.00   3.24  75.74) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.62 +/- 0.71   0.012% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  12.26 +/- 0.80   0.023% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.64 +/- 0.67   0.008% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.57 +/- 0.94   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  18.76 +/- 1.46   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  25.81 +/- 1.15   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.75 +/- 0.91   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.87 +/- 0.65   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.51 +/- 0.19  93.318% * 99.5406% (1.00  10.0 10.00   4.26  75.74) =  99.984%  kept
        T HA    LYS+  38 - HB3   GLU- 100   4.32 +/- 0.92   6.682% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.016%
          HA    VAL   83 - HB3   GLU- 100  20.61 +/- 1.21   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.21 +/- 1.00   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.39 +/- 0.96   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.998% * 99.6840% (1.00  10.0 10.00   2.00  75.74) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.92 +/- 0.69   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.79 +/- 1.03   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  25.35 +/- 1.27   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  23.72 +/- 1.12   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  26.96 +/- 1.32   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.38 +/- 0.10  99.989% * 99.0882% (1.00  10.0 10.00   3.24  75.74) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  12.49 +/- 1.12   0.006% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.24 +/- 0.62   0.002% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  18.63 +/- 1.68   0.001% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.74 +/- 0.60   0.001% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.90 +/- 1.21   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  25.87 +/- 1.08   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.27 +/- 1.14   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  29.61 +/- 0.63   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 75.7:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.93 +/- 0.32  73.267% * 99.5406% (1.00  10.0 10.00   4.72  75.74) =  99.919%  kept
        T HA    LYS+  38 - HG2   GLU- 100   3.77 +/- 0.94  26.732% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.081%
          HA    VAL   83 - HG2   GLU- 100  21.37 +/- 1.18   0.001% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  27.54 +/- 1.32   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.11 +/- 1.25   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.98 +/- 0.12  99.944% * 99.6840% (1.00  10.0 10.00   3.24  75.74) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.80 +/- 0.79   0.029% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  12.15 +/- 1.08   0.026% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  24.83 +/- 1.48   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.81 +/- 1.07   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.08 +/- 1.57   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.38 +/- 0.10  99.988% * 98.4783% (1.00  10.0 10.00   3.24  75.74) = 100.000%  kept
        T QB    GLU-  15 - HG2   GLU- 100  13.61 +/- 2.05   0.004% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  16.23 +/- 1.98   0.001% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  13.53 +/- 1.23   0.004% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  15.71 +/- 1.20   0.001% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  20.29 +/- 1.59   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  20.28 +/- 1.68   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  22.36 +/- 1.21   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.93 +/- 0.86   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  26.59 +/- 1.67   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  32.31 +/- 1.44   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00 100.000% * 99.9625% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  18.50 +/- 1.11   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  99.992% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101   9.55 +/- 1.44   0.006% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  12.27 +/- 1.92   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  17.67 +/- 1.95   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  20.84 +/- 0.73   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.61 +/- 1.30   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  20.79 +/- 2.07   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.24 +/- 1.20   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.9:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.37 +/- 0.08  98.327% * 99.0531% (1.00  10.0 10.00   6.31 159.89) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.80 +/- 0.32   1.597% *  0.0338% (0.34   1.0  1.00   0.02  22.39) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   8.70 +/- 1.39   0.072% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.72 +/- 0.97   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  17.57 +/- 1.02   0.001% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  20.69 +/- 0.60   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.27 +/- 1.07   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  23.14 +/- 1.14   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  20.76 +/- 1.37   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.75 +/- 0.91   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.9:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.21 +/- 0.45  99.700% * 99.3298% (1.00  10.0 10.00   5.75 159.89) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102   9.54 +/- 0.91   0.234% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  13.67 +/- 1.79   0.026% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  16.65 +/- 1.36   0.007% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  16.64 +/- 1.46   0.007% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  18.99 +/- 1.18   0.003% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.63 +/- 0.79   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  16.86 +/- 0.95   0.007% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  19.45 +/- 0.76   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.40 +/- 2.56   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.83 +/- 0.86   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  19.41 +/- 1.74   0.003% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.17 +/- 0.91   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.03, residual support = 159.0:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.11 +/- 0.70  76.041% * 94.8425% (1.00  10.0 10.00   5.05 159.89) =  99.444%  kept
          QB    LEU   98 - HA    LYS+ 102   4.53 +/- 1.16  20.455% *  1.9600% (0.34   1.0  1.00   1.21   2.02) =   0.553%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.75 +/- 0.94   0.121% *  0.8972% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+ 102   6.14 +/- 1.07   3.331% *  0.0264% (0.28   1.0  1.00   0.02   2.02) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  15.85 +/- 0.99   0.006% *  0.8972% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.71 +/- 0.74   0.024% *  0.0930% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  14.91 +/- 1.53   0.010% *  0.0946% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  23.87 +/- 0.82   0.001% *  0.9296% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  16.75 +/- 1.49   0.005% *  0.0356% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  18.08 +/- 1.67   0.003% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.53 +/- 0.94   0.001% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  23.10 +/- 1.95   0.001% *  0.0575% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.65 +/- 0.55   0.000% *  0.0940% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  19.87 +/- 1.32   0.002% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.78 +/- 0.74  99.124% * 98.2489% (1.00 10.00   5.05 159.89) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   7.74 +/- 0.71   0.576% *  0.0219% (0.22  1.00   0.02   1.49) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102   9.85 +/- 0.98   0.135% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   9.94 +/- 1.08   0.131% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  14.83 +/- 1.16   0.014% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  22.12 +/- 0.91   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.62 +/- 1.09   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  16.90 +/- 2.16   0.006% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  14.80 +/- 1.82   0.008% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  20.01 +/- 1.38   0.002% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  21.90 +/- 0.86   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  22.17 +/- 1.09   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.05 +/- 0.45  99.712% * 98.4155% (1.00 10.00   5.05 159.89) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.79 +/- 0.51   0.222% *  0.6760% (0.69 10.00   0.02   1.49) =   0.002%
        T QE    LYS+  38 - HA    LYS+ 102  10.96 +/- 0.97   0.066% *  0.9085% (0.92 10.00   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.9:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.08  99.914% * 99.1785% (1.00  10.0 10.00   6.31 159.89) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.70 +/- 1.39   0.073% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  12.10 +/- 1.47   0.007% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  12.92 +/- 1.23   0.004% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  19.01 +/- 1.42   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.54 +/- 0.70   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  19.68 +/- 0.59   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  21.23 +/- 0.98   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.65 +/- 0.58   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.08 +/- 0.86   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.40 +/- 0.83   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  26.12 +/- 0.89   0.000% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.9:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.14  98.127% * 96.6607% (1.00  10.0 10.00   5.31 159.89) =  99.999%  kept
          HG    LEU   73 - HB    VAL   41   5.74 +/- 1.38   1.036% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB    VAL   41   5.77 +/- 0.66   0.653% *  0.0348% (0.36   1.0  1.00   0.02  18.90) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.21 +/- 1.04   0.020% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   8.35 +/- 1.28   0.077% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  11.36 +/- 1.23   0.010% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  14.70 +/- 1.63   0.002% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  16.66 +/- 1.56   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  14.96 +/- 1.04   0.002% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  11.04 +/- 2.40   0.042% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  10.96 +/- 0.90   0.012% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  13.38 +/- 1.31   0.003% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  14.71 +/- 1.69   0.002% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.04 +/- 0.83   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.48 +/- 1.18   0.002% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.76 +/- 0.90   0.001% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.48 +/- 1.33   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  17.77 +/- 0.56   0.001% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.37 +/- 1.08   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  18.99 +/- 2.10   0.001% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.14 +/- 1.79   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  18.20 +/- 0.67   0.000% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.17 +/- 1.06   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.00 +/- 0.97   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  18.33 +/- 0.75   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.69 +/- 1.20   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.916, support = 4.57, residual support = 146.4:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.36 +/- 0.18  56.152% * 81.1240% (1.00  10.0 10.00   4.75 159.89) =  90.084%  kept
        T QB    LEU   98 - HB    VAL   41   3.06 +/- 1.27  40.317% * 12.4339% (0.15   1.0 10.00   2.96  24.13) =   9.914%  kept
        T HB    VAL   42 - HB    VAL   41   6.23 +/- 0.34   0.182% *  0.3573% (0.44   1.0 10.00   0.02  24.20) =   0.001%
          HG    LEU   98 - HB    VAL   41   5.01 +/- 1.20   2.366% *  0.0101% (0.12   1.0  1.00   0.02  24.13) =   0.000%
          QB    LEU   98 - QB    LYS+ 102   5.25 +/- 0.63   0.624% *  0.0277% (0.34   1.0  1.00   0.02   2.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.15 +/- 0.79   0.018% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.19 +/- 1.16   0.031% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   7.45 +/- 1.39   0.174% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  11.88 +/- 0.55   0.004% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.64 +/- 1.42   0.008% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   6.86 +/- 0.60   0.109% *  0.0226% (0.28   1.0  1.00   0.02   2.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  11.67 +/- 1.22   0.004% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  14.94 +/- 1.08   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  17.21 +/- 0.91   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  14.62 +/- 1.00   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  21.47 +/- 0.73   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  23.01 +/- 0.69   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  15.21 +/- 1.89   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.51 +/- 1.21   0.004% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.89 +/- 0.98   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  16.30 +/- 1.24   0.001% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  16.83 +/- 1.92   0.001% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.74 +/- 0.82   0.001% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  20.93 +/- 1.85   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.14 +/- 0.81   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.69 +/- 1.18   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  16.62 +/- 1.78   0.001% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  18.95 +/- 0.71   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.9:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.30 +/- 0.31  97.610% * 94.6216% (1.00  10.0 10.00   4.75 159.89) =  99.998%  kept
        T QD    LYS+  38 - QB    LYS+ 102   8.23 +/- 1.45   0.102% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  99 - QB    LYS+ 102   5.73 +/- 1.45   1.193% *  0.0211% (0.22   1.0  1.00   0.02   1.49) =   0.000%
          HB2   LEU   73 - HB    VAL   41   7.36 +/- 1.53   0.911% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  10.05 +/- 1.14   0.033% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41   9.90 +/- 0.78   0.022% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.31 +/- 1.05   0.049% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.38 +/- 0.81   0.057% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  16.14 +/- 1.43   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.32 +/- 0.72   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.64 +/- 1.31   0.004% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.54 +/- 1.57   0.001% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  19.86 +/- 1.04   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.61 +/- 1.31   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.25 +/- 1.10   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  14.51 +/- 1.33   0.003% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  13.51 +/- 0.99   0.003% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  12.16 +/- 1.39   0.007% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  17.04 +/- 1.69   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  16.84 +/- 1.73   0.001% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.90 +/- 1.41   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.70 +/- 1.57   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.68 +/- 1.20   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  20.57 +/- 0.84   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.9:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.62 +/- 0.40  98.767% * 97.2926% (1.00 10.00   4.75 159.89) =  99.992%  kept
        T QE    LYS+  99 - QB    LYS+ 102   6.97 +/- 1.37   0.764% *  0.6683% (0.69 10.00   0.02   1.49) =   0.005%
        T QE    LYS+  38 - QB    LYS+ 102   9.27 +/- 1.30   0.107% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   7.73 +/- 0.69   0.275% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41  10.50 +/- 1.42   0.053% *  0.4372% (0.45 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  10.88 +/- 0.84   0.034% *  0.4036% (0.41 10.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.9:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.21 +/- 0.45  99.996% * 99.7392% (1.00  10.0 10.00   5.75 159.89) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  21.45 +/- 1.71   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  23.19 +/- 1.89   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  22.44 +/- 1.10   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.62 +/- 1.36   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  32.75 +/- 1.60   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.9:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.33 +/- 0.14  99.783% * 98.4503% (1.00  10.0 10.00   5.31 159.89) = 100.000%  kept
        T HB    VAL   41 - HG2   LYS+ 102  10.21 +/- 1.04   0.020% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+ 102   7.38 +/- 0.93   0.194% *  0.0336% (0.34   1.0  1.00   0.02  22.39) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  18.17 +/- 1.79   0.001% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  14.60 +/- 1.31   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  21.55 +/- 1.32   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.31 +/- 1.56   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  24.16 +/- 1.49   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  21.19 +/- 2.11   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.82 +/- 1.52   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.925% * 96.7067% (1.00  10.0 10.00   4.42 159.89) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.58 +/- 1.77   0.003% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.43 +/- 0.97   0.061% *  0.0330% (0.34   1.0  1.00   0.02   2.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.42 +/- 0.82   0.010% *  0.0269% (0.28   1.0  1.00   0.02   2.02) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.44 +/- 1.61   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.12 +/- 0.98   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  16.75 +/- 1.46   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  24.89 +/- 1.38   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  17.84 +/- 2.38   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.77 +/- 1.55   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  23.36 +/- 2.31   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.58 +/- 1.56   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.15 +/- 1.57   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  21.77 +/- 1.31   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.21 +/- 0.08  99.771% * 98.2489% (1.00  10.0 10.00   4.42 159.89) = 100.000%  kept
          QD    LYS+  38 - HG2   LYS+ 102   8.86 +/- 1.95   0.056% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   LYS+ 102   7.24 +/- 1.56   0.160% *  0.0219% (0.22   1.0  1.00   0.02   1.49) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.57 +/- 1.71   0.011% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.51 +/- 1.83   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  22.95 +/- 1.45   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.17 +/- 2.00   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  16.65 +/- 1.78   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  20.26 +/- 2.27   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  19.25 +/- 2.04   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  23.94 +/- 1.68   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  24.34 +/- 1.65   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.22 +/- 0.27  99.244% * 98.4155% (1.00  10.0 10.00   4.42 159.89) =  99.994%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.61 +/- 1.44   0.532% *  0.6760% (0.69   1.0 10.00   0.02   1.49) =   0.004%
        T QE    LYS+  38 - HG2   LYS+ 102   9.96 +/- 1.79   0.224% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.11 +/- 0.70  99.486% * 97.9004% (1.00  10.0 10.00   5.05 159.89) =  99.999%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.75 +/- 0.94   0.217% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  10.85 +/- 1.50   0.129% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  15.85 +/- 0.99   0.011% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  23.87 +/- 0.82   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  17.05 +/- 1.83   0.009% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  13.83 +/- 1.85   0.035% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.96 +/- 0.36   0.058% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.53 +/- 1.25   0.032% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  18.27 +/- 1.56   0.005% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  21.79 +/- 2.08   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  22.57 +/- 1.81   0.001% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  23.09 +/- 1.66   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  22.36 +/- 1.68   0.001% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.19 +/- 1.37   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.31 +/- 0.84   0.003% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  22.79 +/- 1.01   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.74 +/- 1.19   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.29 +/- 0.83   0.003% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  23.72 +/- 0.77   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.30 +/- 1.24   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.83 +/- 1.41   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  30.61 +/- 1.42   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  29.41 +/- 0.53   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.906, support = 5.13, residual support = 161.6:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.36 +/- 0.18  47.457% * 54.4770% (1.00  10.0 10.00   4.75 159.89) =  53.565%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.33 +/- 0.16  51.575% * 43.4551% (0.80  10.0  1.00   5.56 163.49) =  46.435%  kept
          HB3   GLN   17 - HG3   LYS+  65   7.05 +/- 2.18   0.302% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.45 +/- 0.64   0.184% *  0.0305% (0.56   1.0  1.00   0.02  25.06) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   6.86 +/- 0.88   0.098% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.19 +/- 1.16   0.018% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  10.64 +/- 1.42   0.009% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.15 +/- 0.79   0.016% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.40 +/- 0.76   0.082% *  0.0186% (0.34   1.0  1.00   0.02  22.39) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.15 +/- 1.38   0.243% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  14.94 +/- 1.08   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  11.67 +/- 1.22   0.004% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  17.21 +/- 0.91   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.12 +/- 1.16   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.16 +/- 1.21   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  21.47 +/- 0.73   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.08 +/- 1.59   0.003% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.76 +/- 1.14   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  18.21 +/- 1.92   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  15.05 +/- 1.54   0.001% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  18.57 +/- 1.58   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.48 +/- 1.13   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  18.05 +/- 1.03   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.54 +/- 0.83   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  16.13 +/- 1.01   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.25 +/- 1.14   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  21.98 +/- 0.96   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.38 +/- 0.82   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.37 +/- 1.19   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  21.13 +/- 1.72   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  24.66 +/- 1.06   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.54 +/- 1.90   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.18 +/- 0.83   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  21.07 +/- 1.26   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  26.95 +/- 1.57   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.06 +/- 1.02   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  21.87 +/- 1.00   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.67 +/- 1.88   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.86 +/- 1.23   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  31.02 +/- 1.35   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  96.194% * 96.9231% (1.00  10.0 10.00   4.42 159.89) =  99.998%  kept
          QB    ALA   61 - HG3   LYS+  65   4.10 +/- 1.47   3.617% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HG3   LYS+  65   6.20 +/- 1.19   0.144% *  0.0684% (0.71   1.0  1.00   0.02  25.06) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.58 +/- 1.77   0.002% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   9.08 +/- 1.28   0.009% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.06 +/- 1.12   0.008% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.49 +/- 0.96   0.005% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  10.79 +/- 1.28   0.003% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.44 +/- 1.61   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33  10.15 +/- 1.31   0.004% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  11.65 +/- 2.09   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.50 +/- 0.93   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.41 +/- 1.51   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  11.14 +/- 0.85   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  15.76 +/- 1.75   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.28 +/- 0.84   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  14.98 +/- 1.10   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.33 +/- 0.95   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.25 +/- 1.23   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  24.89 +/- 1.38   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.87 +/- 1.13   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  13.80 +/- 1.39   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.62 +/- 1.87   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  17.80 +/- 1.88   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  17.80 +/- 1.83   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.31 +/- 1.28   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.18 +/- 1.91   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  12.31 +/- 0.61   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  19.97 +/- 1.88   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.02 +/- 0.49   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  15.10 +/- 1.72   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  15.52 +/- 1.16   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.12 +/- 1.29   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.50 +/- 1.49   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  15.59 +/- 1.40   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.10 +/- 0.72   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.07 +/- 0.95   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.36 +/- 1.27   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  16.82 +/- 1.67   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.41 +/- 0.74   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.01 +/- 0.73   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  21.71 +/- 2.70   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  21.48 +/- 1.26   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.11 +/- 1.76   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  21.55 +/- 1.85   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.07 +/- 2.19   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.79 +/- 1.26   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.96 +/- 0.97   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.10 +/- 1.08   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.62 +/- 2.00   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  24.50 +/- 0.64   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  25.96 +/- 1.42   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.38, 1.38, 25.01 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 102 - HG3   LYS+ 102  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.80)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.47)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.17)  kept
 
    Peak 1236 (1.68, 1.38, 25.01 ppm):
    48 chemical-shift based assignments, quality = 0.796, support = 4.11, residual support = 160.2:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.49 +/- 0.09  30.718% * 63.6907% (1.00  10.0 10.00   4.00 159.89) =  64.783%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.46 +/- 0.13  32.649% * 29.3443% (0.46  10.0 10.00   4.28 163.49) =  31.723%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.42 +/- 0.18  36.467% *  2.8935% (0.05  10.0  1.00   4.63 135.78) =   3.494%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106  10.09 +/- 1.58   0.013% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102   9.33 +/- 2.06   0.029% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   7.69 +/- 1.64   0.076% *  0.0142% (0.22   1.0  1.00   0.02   1.49) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.53 +/- 1.21   0.007% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.69 +/- 1.32   0.006% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  15.79 +/- 1.19   0.001% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  15.02 +/- 1.21   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  16.99 +/- 1.52   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.26 +/- 1.27   0.001% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.48 +/- 1.59   0.005% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.58 +/- 0.58   0.010% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.68 +/- 1.50   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.13 +/- 2.17   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.54 +/- 1.28   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.10 +/- 1.23   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.33 +/- 1.65   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  15.70 +/- 1.69   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  23.42 +/- 1.13   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  13.35 +/- 1.07   0.002% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.14 +/- 1.74   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.70 +/- 0.83   0.005% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  18.21 +/- 2.05   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.80 +/- 1.49   0.002% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.63 +/- 1.43   0.000% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.16 +/- 0.80   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.72 +/- 1.39   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  20.59 +/- 2.08   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  19.26 +/- 2.50   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.53 +/- 1.60   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  15.90 +/- 0.70   0.000% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  15.35 +/- 1.35   0.001% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.29 +/- 1.11   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.38 +/- 0.96   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.70 +/- 0.64   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  21.38 +/- 1.66   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.00 +/- 1.42   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  22.73 +/- 1.41   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.49 +/- 0.81   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  32.01 +/- 1.19   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  24.31 +/- 1.50   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.77 +/- 1.78   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.79 +/- 1.31   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  20.09 +/- 1.23   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  26.83 +/- 1.53   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  27.88 +/- 0.87   0.000% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.9:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.24 +/- 0.21  99.889% * 94.7812% (1.00  10.0 10.00   4.00 159.89) =  99.999%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.05 +/- 1.47   0.042% *  0.6511% (0.69   1.0 10.00   0.02   1.49) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  10.41 +/- 1.92   0.026% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.94 +/- 1.35   0.010% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106  10.01 +/- 1.39   0.016% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  12.77 +/- 1.38   0.004% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.21 +/- 0.79   0.009% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  15.63 +/- 1.03   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.33 +/- 1.30   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.23 +/- 1.59   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  17.88 +/- 0.94   0.000% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  23.64 +/- 0.67   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.78 +/- 0.74  90.843% * 99.0980% (1.00 10.00   5.05 159.89) =  99.999%  kept
          HA1   GLY  109 - HD2   LYS+ 111   5.73 +/- 1.49   9.111% *  0.0126% (0.13  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - QD    LYS+  65  22.12 +/- 0.91   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  15.77 +/- 2.04   0.006% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.62 +/- 1.09   0.000% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  12.92 +/- 1.98   0.023% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  19.74 +/- 1.90   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  20.30 +/- 1.74   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.16 +/- 1.26   0.004% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  17.15 +/- 1.08   0.003% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.19 +/- 1.35   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  20.61 +/- 1.37   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.89 +/- 1.30   0.001% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.94 +/- 1.51   0.001% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.52 +/- 1.61   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  29.10 +/- 1.92   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  28.24 +/- 1.17   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  25.49 +/- 1.49   0.000% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.807, support = 4.82, residual support = 160.8:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.30 +/- 0.31  40.985% * 77.3438% (1.00  10.0 10.00   4.75 159.89) =  74.325%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.13 +/- 0.11  57.144% * 19.1619% (0.25  10.0 10.00   5.04 163.49) =  25.674%  kept
          HB3   GLN   17 - QD    LYS+  65   6.11 +/- 2.58   1.565% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.43 +/- 0.94   0.173% *  0.0264% (0.34   1.0  1.00   0.02  22.39) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.05 +/- 1.14   0.009% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.17 +/- 1.43   0.016% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.31 +/- 0.38   0.094% *  0.0134% (0.17   1.0  1.00   0.02  25.06) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.10 +/- 1.56   0.003% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.02 +/- 1.09   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.17 +/- 1.02   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.55 +/- 1.55   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.21 +/- 1.48   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.14 +/- 1.43   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.13 +/- 1.70   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.05 +/- 1.39   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  10.60 +/- 1.39   0.008% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  19.86 +/- 1.04   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  19.61 +/- 1.98   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.06 +/- 1.51   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.25 +/- 1.10   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.17 +/- 1.08   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.70 +/- 1.57   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.39 +/- 1.67   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  22.59 +/- 1.38   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.75 +/- 1.34   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.79 +/- 1.52   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  26.34 +/- 1.27   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  19.67 +/- 0.98   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.52 +/- 1.59   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.89 +/- 1.93   0.000% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.9:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.21 +/- 0.08  92.352% * 98.4875% (1.00  10.0 10.00   4.42 159.89) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.46 +/- 0.84   4.990% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HD2   LYS+ 111   5.82 +/- 1.15   2.086% *  0.0079% (0.08   1.0  1.00   0.02   9.12) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   5.88 +/- 0.91   0.391% *  0.0216% (0.22   1.0  1.00   0.02  25.06) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  10.32 +/- 1.24   0.014% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.51 +/- 0.91   0.033% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.65 +/- 0.97   0.036% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.03 +/- 0.89   0.026% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.17 +/- 1.52   0.031% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  14.40 +/- 1.68   0.002% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  10.71 +/- 2.27   0.015% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  16.54 +/- 2.01   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  16.54 +/- 2.01   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  14.09 +/- 1.36   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.80 +/- 1.31   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  18.25 +/- 1.81   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  11.73 +/- 0.90   0.005% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.41 +/- 1.32   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  12.31 +/- 1.30   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.85 +/- 1.52   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  22.95 +/- 1.45   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.09 +/- 1.29   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.16 +/- 1.48   0.003% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.27 +/- 2.98   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  18.99 +/- 1.04   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.17 +/- 2.00   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.27 +/- 1.80   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  16.06 +/- 1.19   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.20 +/- 1.77   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.97 +/- 1.37   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  19.37 +/- 1.74   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.42 +/- 1.28   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  21.44 +/- 2.16   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.06 +/- 1.13   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  20.07 +/- 1.76   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.39 +/- 1.66   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  24.04 +/- 1.60   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.25 +/- 1.54   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.16 +/- 1.67   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.844, support = 4.06, residual support = 160.6:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.49 +/- 0.09  48.245% * 76.0877% (1.00  10.0 10.00   4.00 159.89) =  79.248%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.46 +/- 0.13  50.990% * 18.8507% (0.25  10.0 10.00   4.28 163.49) =  20.751%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102  10.09 +/- 1.58   0.020% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.31 +/- 1.21   0.396% *  0.0260% (0.34   1.0  1.00   0.02   2.02) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.54 +/- 1.00   0.216% *  0.0197% (0.26   1.0  1.00   0.02  27.89) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.85 +/- 1.28   0.089% *  0.0212% (0.28   1.0  1.00   0.02   2.02) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.30 +/- 1.11   0.013% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  15.51 +/- 1.71   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  15.79 +/- 1.19   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.26 +/- 1.27   0.002% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.45 +/- 0.96   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.23 +/- 0.93   0.007% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.13 +/- 2.17   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.10 +/- 1.23   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.16 +/- 0.80   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.24 +/- 1.59   0.002% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.51 +/- 1.89   0.003% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.39 +/- 2.03   0.001% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.74 +/- 2.32   0.001% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.33 +/- 1.65   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.20 +/- 1.36   0.004% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.42 +/- 1.13   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  23.67 +/- 1.12   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  12.66 +/- 1.89   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.98 +/- 1.77   0.001% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.14 +/- 1.74   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.90 +/- 1.40   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.07 +/- 1.57   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  21.91 +/- 1.86   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.05 +/- 0.95   0.001% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.26 +/- 1.30   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.08 +/- 1.24   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.48 +/- 1.42   0.000% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  19.91 +/- 1.60   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  32.01 +/- 1.19   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.03 +/- 1.09   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.98 +/- 0.87   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.69 +/- 1.06   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.55 +/- 1.34   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.72 +/- 0.92   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  23.34 +/- 1.41   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.69 +/- 1.78   0.000% *  0.0121% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.9:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.11 +/- 0.03  99.953% * 97.1326% (1.00  10.0 10.00   4.00 159.89) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.87 +/- 1.24   0.027% *  0.6672% (0.69   1.0 10.00   0.02   1.49) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  10.01 +/- 1.65   0.019% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  14.51 +/- 1.13   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.19 +/- 1.79   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  21.79 +/- 0.79   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  22.06 +/- 1.29   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  20.99 +/- 1.45   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.35 +/- 1.60   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.9:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.05 +/- 0.45  99.693% * 98.6090% (1.00 10.00   5.05 159.89) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.79 +/- 0.51   0.222% *  0.6725% (0.68 10.00   0.02   1.49) =   0.002%
        T HA    LYS+ 102 - QE    LYS+  38  10.96 +/- 0.97   0.066% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.48 +/- 1.21   0.004% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  20.04 +/- 2.20   0.002% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  20.05 +/- 1.47   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.42 +/- 0.86   0.004% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.39 +/- 0.98   0.001% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  19.26 +/- 1.18   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  20.92 +/- 1.27   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.53 +/- 1.51   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.68 +/- 0.98   0.001% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  29.07 +/- 1.83   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.91 +/- 0.76   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  20.81 +/- 0.89   0.001% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.93 +/- 1.04   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  30.15 +/- 1.09   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.83 +/- 0.95   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.9:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.62 +/- 0.40  97.629% * 97.3354% (1.00 10.00   4.75 159.89) =  99.993%  kept
        T QB    LYS+ 102 - QE    LYS+  99   6.97 +/- 1.37   0.749% *  0.6638% (0.68 10.00   0.02   1.49) =   0.005%
        T HB    VAL   41 - QE    LYS+  99   7.73 +/- 0.69   0.269% *  0.3231% (0.33 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+ 102   6.42 +/- 0.65   0.803% *  0.0332% (0.34  1.00   0.02  22.39) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  10.50 +/- 1.42   0.052% *  0.4738% (0.49 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38   9.27 +/- 1.30   0.105% *  0.2228% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.83 +/- 0.77   0.115% *  0.0641% (0.66  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99   9.85 +/- 1.06   0.084% *  0.0456% (0.47  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  10.88 +/- 0.84   0.033% *  0.1085% (0.11 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.39 +/- 0.54   0.071% *  0.0226% (0.23  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.16 +/- 0.89   0.010% *  0.0651% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.40 +/- 1.11   0.029% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.76 +/- 0.82   0.005% *  0.0939% (0.97  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  12.34 +/- 1.71   0.020% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  17.50 +/- 1.06   0.002% *  0.0669% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  15.62 +/- 1.46   0.003% *  0.0323% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.96 +/- 2.19   0.006% *  0.0153% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  20.48 +/- 0.54   0.001% *  0.0954% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  13.81 +/- 0.87   0.007% *  0.0076% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.15 +/- 1.00   0.001% *  0.0613% (0.63  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.50 +/- 1.28   0.000% *  0.0899% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.42 +/- 1.63   0.001% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  20.01 +/- 1.68   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  23.12 +/- 0.97   0.000% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.04 +/- 1.66   0.001% *  0.0108% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  21.14 +/- 2.64   0.001% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.25 +/- 1.02   0.000% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.43 +/- 1.36   0.000% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.50 +/- 1.14   0.000% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  31.64 +/- 0.98   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.982, support = 4.32, residual support = 154.0:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.22 +/- 0.27  53.142% * 93.4737% (1.00  10.0 10.00   4.42 159.89) =  96.019%  kept
          HG    LEU   40 - QE    LYS+  99   3.48 +/- 1.06  45.511% *  4.5208% (0.55   1.0  1.00   1.77  13.07) =   3.977%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.61 +/- 1.44   0.219% *  0.6375% (0.68   1.0 10.00   0.02   1.49) =   0.003%
        T HG2   LYS+ 102 - QE    LYS+  38   9.96 +/- 1.79   0.116% *  0.2140% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  99   8.22 +/- 2.19   0.425% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99   8.42 +/- 2.08   0.339% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  10.93 +/- 0.97   0.035% *  0.0748% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  11.16 +/- 1.37   0.034% *  0.0553% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  11.76 +/- 1.10   0.023% *  0.0625% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  10.57 +/- 1.41   0.044% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  14.77 +/- 1.66   0.007% *  0.0916% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  10.98 +/- 1.20   0.034% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.05 +/- 0.88   0.008% *  0.0335% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  15.54 +/- 1.44   0.004% *  0.0510% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  17.06 +/- 1.51   0.003% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.11 +/- 1.54   0.003% *  0.0642% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.21 +/- 1.90   0.010% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  18.69 +/- 1.41   0.002% *  0.0811% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.81 +/- 0.94   0.006% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.20 +/- 1.15   0.001% *  0.0748% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.08 +/- 1.21   0.003% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.15 +/- 1.24   0.005% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  19.31 +/- 3.14   0.002% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  15.77 +/- 1.73   0.004% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.31 +/- 0.69   0.001% *  0.0492% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.07 +/- 1.45   0.003% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  18.32 +/- 2.19   0.003% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.91 +/- 1.28   0.001% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.74 +/- 0.99   0.002% *  0.0197% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  19.85 +/- 1.45   0.001% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.58 +/- 1.03   0.001% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  20.08 +/- 1.37   0.001% *  0.0217% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  17.23 +/- 1.63   0.003% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  19.71 +/- 1.06   0.001% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  18.54 +/- 1.82   0.001% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.05 +/- 1.59   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.53 +/- 0.92   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.25 +/- 1.11   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  24.82 +/- 1.79   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.9:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.24 +/- 0.21  99.265% * 93.0940% (1.00  10.0 10.00   4.00 159.89) =  99.999%  kept
        T HG3   LYS+ 102 - QE    LYS+  99   9.05 +/- 1.47   0.042% *  0.6349% (0.68   1.0 10.00   0.02   1.49) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102  10.01 +/- 1.39   0.016% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.63 +/- 1.05   0.200% *  0.0318% (0.34   1.0  1.00   0.02   2.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  10.41 +/- 1.92   0.026% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.16 +/- 0.82   0.083% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.21 +/- 0.79   0.008% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.74 +/- 0.36   0.157% *  0.0217% (0.23   1.0  1.00   0.02  17.10) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  12.77 +/- 1.38   0.004% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.94 +/- 1.35   0.010% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.07 +/- 1.24   0.071% *  0.0259% (0.28   1.0  1.00   0.02   2.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  15.63 +/- 1.03   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.33 +/- 1.30   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.77 +/- 0.71   0.041% *  0.0177% (0.19   1.0  1.00   0.02  17.10) =   0.000%
          QB    ALA  124 - QE    LYS+  99   9.66 +/- 1.57   0.036% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.32 +/- 0.91   0.003% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.90 +/- 0.66   0.002% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.00 +/- 0.56   0.015% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  17.88 +/- 0.94   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  15.82 +/- 1.52   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  23.64 +/- 0.67   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.48 +/- 1.26   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  16.59 +/- 1.72   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  16.20 +/- 2.16   0.001% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.02 +/- 1.17   0.005% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.23 +/- 1.59   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  17.18 +/- 2.12   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.54 +/- 0.71   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  20.87 +/- 1.23   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.40 +/- 2.37   0.001% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.49 +/- 0.94   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  18.30 +/- 0.82   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.08 +/- 1.19   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  22.46 +/- 1.75   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.95 +/- 0.78   0.001% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  15.85 +/- 2.64   0.002% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.29 +/- 0.87   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.18 +/- 1.37   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  21.43 +/- 0.92   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.03 +/- 0.70   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  29.62 +/- 1.69   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.70 +/- 1.32   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.785, support = 4.0, residual support = 169.6:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.11 +/- 0.03  32.378% * 72.2175% (1.00  10.0 10.00   4.00 159.89) =  74.110%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  33.821% * 13.2369% (0.18  10.0  1.00   3.74 217.82) =  14.189%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  33.666% * 10.9650% (0.15  10.0 10.00   4.33 172.83) =  11.700%  kept
        T QD    LYS+ 102 - QE    LYS+  99   8.87 +/- 1.24   0.008% *  0.4925% (0.68   1.0 10.00   0.02   1.49) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.22 +/- 1.38   0.016% *  0.1608% (0.22   1.0 10.00   0.02   1.49) =   0.000%
          QD    LYS+  38 - QE    LYS+  99   7.03 +/- 0.98   0.056% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.71 +/- 1.44   0.007% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  10.01 +/- 1.65   0.006% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.06 +/- 1.27   0.022% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102   9.81 +/- 1.72   0.007% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99   9.46 +/- 1.54   0.008% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.69 +/- 0.68   0.001% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  14.51 +/- 1.13   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  11.57 +/- 1.53   0.002% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  14.52 +/- 1.25   0.000% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  22.06 +/- 1.29   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  20.99 +/- 1.45   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.21 +/- 0.82   0.001% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  21.79 +/- 0.79   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  16.85 +/- 2.90   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  15.71 +/- 1.58   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.21 +/- 1.88   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.19 +/- 1.79   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.42 +/- 1.03   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.16 +/- 1.25   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  19.88 +/- 1.16   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  19.02 +/- 1.04   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.22 +/- 1.69   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.51 +/- 0.95   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  20.36 +/- 2.47   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  18.50 +/- 2.06   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.43 +/- 0.81   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.35 +/- 1.60   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  21.68 +/- 1.12   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.28 +/- 1.32   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  28.27 +/- 0.99   0.000% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.02, 3.02, 42.50 ppm):
    3 diagonal assignments:
    *     QE    LYS+ 102 - QE    LYS+ 102  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.21)  kept
 
    Peak 1250 (4.28, 4.28, 62.30 ppm):
    2 diagonal assignments:
    *     HA    ILE  103 - HA    ILE  103  (1.00)  kept
          HA    THR   39 - HA    THR   39  (0.24)  kept
 
    Peak 1251 (1.86, 4.28, 62.30 ppm):
    26 chemical-shift based assignments, quality = 0.554, support = 5.84, residual support = 138.3:
      O T HG12  ILE  103 - HA    ILE  103   2.16 +/- 0.17  85.454% * 16.3310% (0.20  10.0 10.00   5.98 138.30) =  55.648%  kept
    * O T HB    ILE  103 - HA    ILE  103   2.96 +/- 0.03  13.478% * 82.5223% (1.00  10.0 10.00   5.66 138.30) =  44.351%  kept
          QB    LYS+ 106 - HA    ILE  103   6.69 +/- 0.67   0.109% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.73 +/- 0.25   0.856% *  0.0068% (0.08   1.0  1.00   0.02  22.87) =   0.000%
          HB3   ASP- 105 - HA    ILE  103   7.29 +/- 0.54   0.063% *  0.0818% (0.99   1.0  1.00   0.02   2.39) =   0.000%
          QB    LYS+  33 - HA    THR   39   8.50 +/- 0.67   0.026% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.76 +/- 0.50   0.001% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.61 +/- 1.04   0.004% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.91 +/- 0.67   0.001% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  12.90 +/- 0.72   0.002% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  15.04 +/- 1.13   0.001% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  18.51 +/- 1.98   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  17.46 +/- 1.02   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.01 +/- 0.53   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  20.13 +/- 1.67   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.75 +/- 1.38   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.21 +/- 0.72   0.002% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.92 +/- 1.17   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  18.04 +/- 1.91   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.42 +/- 1.08   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.87 +/- 0.84   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.91 +/- 0.68   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  24.38 +/- 0.66   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  28.79 +/- 0.88   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  29.32 +/- 0.97   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  29.91 +/- 0.73   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.934, support = 5.33, residual support = 138.3:
    * O T QG2   ILE  103 - HA    ILE  103   2.69 +/- 0.09  75.059% * 68.5552% (1.00  10.0 10.00   5.39 138.30) =  88.062%  kept
        T QD1   ILE  103 - HA    ILE  103   3.36 +/- 0.35  22.693% * 30.7355% (0.45   1.0 10.00   4.91 138.30) =  11.936%  kept
          QD2   LEU   40 - HA    ILE  103   5.81 +/- 0.82   0.988% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.77 +/- 0.28   0.815% *  0.0219% (0.32   1.0  1.00   0.02  23.70) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.05 +/- 0.68   0.294% *  0.0128% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  10.71 +/- 1.57   0.029% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.71 +/- 1.02   0.081% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.66 +/- 0.43   0.007% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.54 +/- 0.63   0.008% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  13.13 +/- 1.22   0.007% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  12.88 +/- 0.96   0.007% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.04 +/- 1.39   0.004% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.16 +/- 1.32   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.22 +/- 1.23   0.004% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.52 +/- 0.93   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.25 +/- 0.53   0.001% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.605, support = 5.14, residual support = 138.3:
    *   T QD1   ILE  103 - HA    ILE  103   3.36 +/- 0.35  22.694% * 78.2519% (0.92   1.0 10.00   4.91 138.30) =  52.813%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.69 +/- 0.09  75.063% * 21.1374% (0.25  10.0 10.00   5.39 138.30) =  47.186%  kept
          QD2   LEU   40 - HA    ILE  103   5.81 +/- 0.82   0.988% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.05 +/- 0.68   0.294% *  0.0234% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.77 +/- 0.28   0.815% *  0.0043% (0.05   1.0  1.00   0.02  23.70) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.54 +/- 0.63   0.008% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  12.88 +/- 0.96   0.007% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  13.13 +/- 1.22   0.007% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.66 +/- 0.43   0.007% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  10.71 +/- 1.57   0.029% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.71 +/- 1.02   0.081% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.22 +/- 1.23   0.004% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.16 +/- 1.32   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.52 +/- 0.93   0.001% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.3:
    * O T HA    ILE  103 - HB    ILE  103   2.96 +/- 0.03  99.953% * 98.6567% (1.00  10.0 10.00   5.66 138.30) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  14.76 +/- 0.50   0.007% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  12.95 +/- 1.35   0.017% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  13.59 +/- 2.28   0.016% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  16.56 +/- 2.20   0.004% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  19.84 +/- 1.74   0.001% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  23.60 +/- 2.06   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.88 +/- 1.26   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.59 +/- 1.25   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  31.84 +/- 2.09   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.06 +/- 1.46   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.29 +/- 1.63   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.86, 1.86, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  103 - HB    ILE  103  (1.00)  kept
 
    Peak 1256 (0.98, 1.86, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.844, support = 4.93, residual support = 138.3:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  53.102% * 68.8462% (1.00  10.0 10.00   5.02 138.30) =  71.645%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.20 +/- 0.29  46.877% * 30.8659% (0.45  10.0 10.00   4.71 138.30) =  28.355%  kept
          QD2   LEU   40 - HB    ILE  103   8.16 +/- 0.54   0.018% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  12.85 +/- 1.55   0.001% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.22 +/- 1.07   0.000% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  14.98 +/- 1.76   0.001% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  14.49 +/- 1.02   0.001% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.81 +/- 1.33   0.000% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.765, support = 4.79, residual support = 138.3:
    * O T QD1   ILE  103 - HB    ILE  103   2.20 +/- 0.29  46.877% * 78.5650% (0.92  10.0 10.00   4.71 138.30) =  76.570%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  53.102% * 21.2220% (0.25  10.0 10.00   5.02 138.30) =  23.430%  kept
          QD2   LEU   40 - HB    ILE  103   8.16 +/- 0.54   0.018% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  14.49 +/- 1.02   0.001% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.22 +/- 1.07   0.000% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  12.85 +/- 1.55   0.001% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.81 +/- 1.33   0.000% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 138.3:
    * O T HA    ILE  103 - QG2   ILE  103   2.69 +/- 0.09  99.901% * 98.6567% (1.00  10.0 10.00   5.39 138.30) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.66 +/- 0.43   0.009% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103   9.65 +/- 0.93   0.054% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  13.62 +/- 1.53   0.007% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  11.65 +/- 1.54   0.020% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  15.87 +/- 1.09   0.003% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.89 +/- 0.88   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  19.49 +/- 1.24   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.69 +/- 0.82   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.70 +/- 1.70   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.48 +/- 1.05   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.27 +/- 1.22   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.978, support = 5.03, residual support = 138.3:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  84.746% * 82.9317% (1.00  10.0 10.00   5.02 138.30) =  97.304%  kept
      O T HG12  ILE  103 - QG2   ILE  103   2.97 +/- 0.16  11.853% * 16.4121% (0.20  10.0 10.00   5.31 138.30) =   2.693%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.94 +/- 0.71   2.988% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - QG2   ILE  103   5.26 +/- 0.33   0.407% *  0.0822% (0.99   1.0  1.00   0.02   2.39) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.59 +/- 0.44   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  15.37 +/- 1.65   0.001% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  16.17 +/- 1.33   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.91 +/- 1.58   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.56 +/- 0.96   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.30 +/- 0.65   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.75 +/- 1.04   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.61 +/- 0.78   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.46 +/- 0.80   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.91, residual support = 138.3:
    *   T HA    ILE  103 - QD1   ILE  103   3.36 +/- 0.35  99.150% * 98.6567% (0.92 10.00   4.91 138.30) =  99.999%  kept
        T HA    THR   39 - QD1   ILE  103  12.54 +/- 0.63   0.041% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   ILE  103   9.74 +/- 1.51   0.277% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103   9.45 +/- 1.76   0.413% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  12.01 +/- 1.72   0.079% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  14.80 +/- 1.63   0.019% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  17.73 +/- 1.91   0.006% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.72 +/- 1.56   0.009% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.16 +/- 1.37   0.002% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  26.10 +/- 2.07   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.19 +/- 1.53   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  24.75 +/- 1.67   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.795, support = 4.7, residual support = 138.3:
    * O T HB    ILE  103 - QD1   ILE  103   2.20 +/- 0.29  48.361% * 82.9317% (0.92  10.0 10.00   4.71 138.30) =  82.685%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.02  51.171% * 16.4121% (0.18  10.0 10.00   4.62 138.30) =  17.314%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.38 +/- 0.85   0.440% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   ILE  103   8.20 +/- 0.71   0.024% *  0.0822% (0.91   1.0  1.00   0.02   2.39) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.19 +/- 0.92   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  14.68 +/- 1.87   0.001% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  14.49 +/- 1.74   0.001% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  12.84 +/- 0.90   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.14 +/- 1.42   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.08 +/- 1.57   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.07 +/- 1.13   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.15 +/- 1.40   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.49 +/- 1.28   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.4:
    * O T HB2   LEU  104 - HA    LEU  104   2.99 +/- 0.12  99.898% * 99.7433% (0.87  10.0 10.00   5.98 219.41) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.43 +/- 0.60   0.062% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.42 +/- 1.29   0.026% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  13.63 +/- 1.21   0.013% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  21.15 +/- 0.63   0.001% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.4:
    * O T HB3   LEU  104 - HA    LEU  104   2.49 +/- 0.13  99.953% * 99.4463% (0.76  10.0 10.00   5.31 219.41) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.48 +/- 0.93   0.024% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  11.95 +/- 0.98   0.012% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  14.11 +/- 1.06   0.004% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  13.09 +/- 1.05   0.006% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  15.85 +/- 1.06   0.002% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.89, residual support = 219.4:
    * O T HG    LEU  104 - HA    LEU  104   3.11 +/- 0.44  98.874% * 99.5259% (1.00  10.0 10.00   5.89 219.41) =  99.999%  kept
          HB3   LYS+ 121 - HA    LEU  104   8.46 +/- 1.22   0.546% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  104   8.76 +/- 1.45   0.556% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  16.55 +/- 1.74   0.006% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.36 +/- 1.71   0.009% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.22 +/- 1.07   0.002% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.41 +/- 1.79   0.002% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  18.67 +/- 0.65   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.47 +/- 1.07   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.4:
    *   T QD1   LEU  104 - HA    LEU  104   3.63 +/- 0.24  99.609% * 98.8828% (0.96 10.00   5.31 219.41) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  10.25 +/- 0.88   0.228% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  12.72 +/- 0.65   0.061% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.53 +/- 1.07   0.046% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  15.16 +/- 1.40   0.023% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  17.39 +/- 2.14   0.011% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  15.06 +/- 0.67   0.022% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 6.05, residual support = 219.4:
    *   T QD2   LEU  104 - HA    LEU  104   2.32 +/- 0.53  99.302% * 98.7440% (1.00 10.00   6.05 219.41) =  99.998%  kept
        T QD1   LEU   98 - HA    LEU  104   6.36 +/- 0.53   0.607% *  0.3048% (0.31 10.00   0.02   4.58) =   0.002%
        T QG1   VAL   41 - HA    LEU  104   9.56 +/- 0.85   0.037% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.54 +/- 0.49   0.050% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.42 +/- 0.76   0.002% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.04 +/- 1.28   0.001% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.55 +/- 0.84   0.001% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.4:
    * O T HA    LEU  104 - HB2   LEU  104   2.99 +/- 0.12  99.989% * 99.7454% (0.87  10.0 10.00   5.98 219.41) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  14.89 +/- 1.62   0.008% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  18.13 +/- 1.55   0.002% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.79 +/- 1.32   0.001% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.31 +/- 1.40   0.000% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.44, residual support = 219.4:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.982% * 99.4463% (0.66  10.0 10.00   5.44 219.41) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   8.41 +/- 0.90   0.010% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  10.16 +/- 0.88   0.003% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  10.39 +/- 1.17   0.003% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  12.47 +/- 0.99   0.001% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  13.74 +/- 1.20   0.001% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.4:
    * O T HG    LEU  104 - HB2   LEU  104   2.53 +/- 0.30  98.133% * 99.5259% (0.87  10.0 10.00   6.00 219.41) =  99.999%  kept
          HD2   LYS+ 121 - HB2   LEU  104   7.44 +/- 1.79   1.499% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   LEU  104   7.23 +/- 1.10   0.357% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  14.08 +/- 1.65   0.004% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.66 +/- 1.78   0.003% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  17.96 +/- 1.11   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.87 +/- 1.67   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  17.71 +/- 1.12   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.18 +/- 0.58   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 219.4:
    * O T QD1   LEU  104 - HB2   LEU  104   2.52 +/- 0.27  99.818% * 98.8828% (0.84  10.0 10.00   5.44 219.41) =  99.999%  kept
        T QD1   LEU   63 - HB2   LEU  104   8.16 +/- 0.96   0.146% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HB2   LEU  104  11.30 +/- 0.63   0.016% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  11.98 +/- 1.10   0.011% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  14.51 +/- 1.35   0.004% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  16.37 +/- 2.08   0.002% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  14.24 +/- 0.79   0.004% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.26, residual support = 219.4:
    * O T QD2   LEU  104 - HB2   LEU  104   2.95 +/- 0.35  97.553% * 99.0156% (0.87  10.0 10.00   6.26 219.41) =  99.999%  kept
          QD1   LEU   98 - HB2   LEU  104   6.18 +/- 0.73   1.886% *  0.0306% (0.27   1.0  1.00   0.02   4.58) =   0.001%
        T QG1   VAL   41 - HB2   LEU  104   8.40 +/- 0.77   0.291% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   8.26 +/- 0.59   0.249% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.25 +/- 0.89   0.009% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.13 +/- 1.35   0.007% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  15.90 +/- 0.99   0.005% *  0.0680% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.4:
    * O T HA    LEU  104 - HB3   LEU  104   2.49 +/- 0.13  99.994% * 99.7454% (0.76  10.0 10.00   5.31 219.41) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  15.94 +/- 1.86   0.004% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  19.25 +/- 1.83   0.001% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.02 +/- 1.47   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.45 +/- 1.51   0.000% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.44, residual support = 219.4:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.994% * 99.7433% (0.66  10.0 10.00   5.44 219.41) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  10.77 +/- 0.50   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  11.16 +/- 1.36   0.002% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  12.06 +/- 1.55   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.12 +/- 0.92   0.000% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.29, residual support = 219.4:
    * O T HG    LEU  104 - HB3   LEU  104   2.88 +/- 0.18  96.463% * 99.5259% (0.76  10.0 10.00   5.29 219.41) =  99.998%  kept
          HB3   LYS+ 121 - HB3   LEU  104   6.75 +/- 1.29   1.303% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB3   LEU  104   7.21 +/- 1.80   2.216% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  14.57 +/- 1.90   0.009% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  16.07 +/- 1.90   0.004% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.57 +/- 1.14   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  19.15 +/- 1.69   0.001% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  18.83 +/- 1.37   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.53 +/- 0.62   0.001% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 219.4:
    * O T QD1   LEU  104 - HB3   LEU  104   2.26 +/- 0.26  99.955% * 98.8828% (0.74  10.0 10.00   5.00 219.41) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   9.14 +/- 1.11   0.032% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  12.65 +/- 0.68   0.004% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.45 +/- 1.08   0.005% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  15.76 +/- 1.45   0.001% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  17.72 +/- 2.14   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  15.37 +/- 0.88   0.001% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.48, residual support = 219.4:
    * O T QD2   LEU  104 - HB3   LEU  104   2.71 +/- 0.34  99.440% * 99.0156% (0.76  10.0 10.00   5.48 219.41) = 100.000%  kept
        T QG1   VAL   41 - HB3   LEU  104   9.52 +/- 0.75   0.069% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB3   LEU  104   7.26 +/- 0.65   0.414% *  0.0306% (0.24   1.0  1.00   0.02   4.58) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.48 +/- 1.00   0.005% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104   9.66 +/- 0.59   0.068% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.36 +/- 1.44   0.003% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.19 +/- 1.00   0.002% *  0.0680% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.89, residual support = 219.4:
    * O T HA    LEU  104 - HG    LEU  104   3.11 +/- 0.44  99.986% * 99.7454% (1.00  10.0 10.00   5.89 219.41) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  15.53 +/- 1.73   0.010% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  18.33 +/- 1.70   0.003% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  22.69 +/- 1.75   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.85 +/- 1.51   0.000% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.4:
    * O T HB2   LEU  104 - HG    LEU  104   2.53 +/- 0.30  99.969% * 99.7433% (0.87  10.0 10.00   6.00 219.41) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.68 +/- 0.51   0.013% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  12.26 +/- 1.49   0.011% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  12.77 +/- 1.65   0.008% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.96 +/- 0.81   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.29, residual support = 219.4:
    * O T HB3   LEU  104 - HG    LEU  104   2.88 +/- 0.18  99.633% * 99.4463% (0.76  10.0 10.00   5.29 219.41) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  104   8.46 +/- 1.25   0.264% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  11.44 +/- 1.11   0.035% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  11.88 +/- 1.33   0.030% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  11.89 +/- 1.43   0.030% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.46 +/- 1.50   0.009% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 219.4:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  99.977% * 98.8828% (0.97  10.0 10.00   5.29 219.41) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104   9.69 +/- 1.11   0.014% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  11.07 +/- 1.06   0.006% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.84 +/- 1.22   0.002% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  14.62 +/- 1.41   0.001% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  16.58 +/- 2.31   0.001% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  15.32 +/- 0.82   0.001% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 219.4:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.389% * 99.0156% (1.00  10.0 10.00   6.05 219.41) = 100.000%  kept
        T QG1   VAL   41 - HG    LEU  104   7.50 +/- 1.09   0.081% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU  104   5.70 +/- 0.70   0.499% *  0.0306% (0.31   1.0  1.00   0.02   4.58) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.46 +/- 0.66   0.029% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.01 +/- 0.97   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.03 +/- 1.55   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.02 +/- 1.28   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.4:
    *   T HA    LEU  104 - QD1   LEU  104   3.63 +/- 0.24  99.276% * 99.2875% (0.96 10.00   5.31 219.41) =  99.999%  kept
        T HA    LEU  104 - QD1   LEU   63  10.25 +/- 0.88   0.227% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  12.72 +/- 0.65   0.061% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  14.31 +/- 1.87   0.074% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  16.71 +/- 1.90   0.023% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.49 +/- 1.41   0.085% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  12.35 +/- 0.77   0.074% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  12.10 +/- 0.67   0.083% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.54 +/- 1.39   0.007% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  13.87 +/- 0.89   0.038% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.50 +/- 0.57   0.018% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  15.90 +/- 1.74   0.018% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  16.64 +/- 0.79   0.012% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  21.99 +/- 1.25   0.002% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.25 +/- 0.69   0.004% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.04, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.732, support = 5.23, residual support = 208.8:
    * O T HB2   LEU  104 - QD1   LEU  104   2.52 +/- 0.27  24.239% * 86.8632% (0.84  10.0 10.00   5.44 219.41) =  86.435%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.02  59.375% *  3.2300% (0.03  10.0 10.00   5.59 242.41) =   7.873%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.20 +/- 0.96  16.303% *  8.5034% (0.10   1.0 10.00   1.63   1.59) =   5.691%  kept
        T QD1   ILE  119 - QD1   LEU  104   9.86 +/- 1.24   0.008% *  0.5669% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   8.16 +/- 0.96   0.026% *  0.1600% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.19 +/- 1.43   0.008% *  0.1754% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.30 +/- 0.63   0.003% *  0.1600% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.42 +/- 0.57   0.004% *  0.0966% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   8.01 +/- 0.67   0.023% *  0.0178% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  12.19 +/- 1.03   0.002% *  0.1044% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.88 +/- 0.89   0.002% *  0.0323% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.60 +/- 1.06   0.004% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.93 +/- 0.66   0.002% *  0.0178% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.11 +/- 0.75   0.000% *  0.0527% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  20.64 +/- 0.78   0.000% *  0.0097% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.704, support = 5.04, residual support = 220.6:
    * O T HB3   LEU  104 - QD1   LEU  104   2.26 +/- 0.26  63.401% * 89.6045% (0.74  10.0 10.00   5.00 219.41) =  95.018%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.54 +/- 0.21  33.542% *  8.8779% (0.07  10.0 10.00   5.85 242.41) =   4.981%  kept
          QD1   LEU   71 - QD1   LEU   73   4.86 +/- 0.81   1.190% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.02 +/- 1.17   1.024% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.42 +/- 1.09   0.173% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.49 +/- 1.26   0.015% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.50 +/- 0.98   0.207% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   6.54 +/- 0.97   0.188% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   8.61 +/- 1.13   0.029% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   9.14 +/- 1.11   0.017% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.61 +/- 0.68   0.137% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.91 +/- 1.09   0.011% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.13 +/- 0.80   0.044% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.49 +/- 1.05   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  12.65 +/- 0.68   0.002% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.11 +/- 0.99   0.003% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.25 +/- 0.98   0.009% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.56 +/- 1.17   0.002% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 219.4:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  97.541% * 98.9901% (0.97  10.0 10.00   5.29 219.41) =  99.999%  kept
          HD2   LYS+ 121 - QD1   LEU  104   7.13 +/- 1.90   0.681% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU  104   6.66 +/- 1.24   0.194% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.74 +/- 0.61   1.025% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63   9.69 +/- 1.11   0.013% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.69 +/- 0.96   0.188% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.31 +/- 0.98   0.097% *  0.0125% (0.12   1.0  1.00   0.02   6.08) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   7.78 +/- 1.10   0.058% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  11.07 +/- 1.06   0.006% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.55 +/- 1.27   0.100% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.88 +/- 0.94   0.023% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  11.79 +/- 1.65   0.005% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.11 +/- 0.40   0.016% *  0.0176% (0.17   1.0  1.00   0.02  41.43) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   9.75 +/- 1.42   0.013% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.21 +/- 0.39   0.030% *  0.0045% (0.04   1.0  1.00   0.02   1.47) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.14 +/- 1.46   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  14.29 +/- 1.66   0.001% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.26 +/- 1.20   0.001% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.14 +/- 1.31   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.61 +/- 0.82   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.19 +/- 0.84   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.70 +/- 0.94   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.03 +/- 1.43   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.72 +/- 0.49   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.60 +/- 1.49   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  15.58 +/- 1.61   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.55 +/- 1.14   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.53, residual support = 219.4:
    * O T QD2   LEU  104 - QD1   LEU  104   2.09 +/- 0.04  83.801% * 98.3006% (0.97  10.0 10.00   5.53 219.41) =  99.997%  kept
        T QG1   VAL   41 - QD1   LEU   73   3.92 +/- 0.89   4.474% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - QD1   LEU   73   3.17 +/- 0.57  10.352% *  0.0062% (0.06   1.0  1.00   0.02   7.61) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   6.72 +/- 0.74   0.101% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.60 +/- 0.60   0.103% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   6.00 +/- 0.79   0.342% *  0.0303% (0.30   1.0  1.00   0.02   4.58) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   5.38 +/- 0.78   0.423% *  0.0175% (0.17   1.0  1.00   0.02   4.00) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.69 +/- 0.85   0.047% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   8.94 +/- 1.12   0.021% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73   9.86 +/- 0.95   0.009% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.82 +/- 0.92   0.043% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.47 +/- 0.99   0.002% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   6.30 +/- 0.66   0.134% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.11 +/- 0.68   0.014% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.37 +/- 1.21   0.030% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.17 +/- 0.51   0.060% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.58 +/- 1.35   0.002% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   9.15 +/- 0.40   0.013% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.21 +/- 0.96   0.008% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   8.72 +/- 1.06   0.022% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.61 +/- 1.02   0.001% *  0.0675% (0.66   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 6.05, residual support = 219.4:
    *   T HA    LEU  104 - QD2   LEU  104   2.32 +/- 0.53  99.877% * 99.4871% (1.00 10.00   6.05 219.41) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   9.56 +/- 0.85   0.038% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18   9.62 +/- 0.69   0.044% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  13.10 +/- 1.40   0.011% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.42 +/- 0.76   0.002% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  15.41 +/- 1.42   0.004% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.82 +/- 1.63   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.41 +/- 0.92   0.003% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  13.60 +/- 1.58   0.006% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.18 +/- 1.81   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  14.10 +/- 0.90   0.004% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  13.29 +/- 0.95   0.006% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  17.04 +/- 1.29   0.001% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.66 +/- 2.00   0.003% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.43 +/- 1.41   0.001% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.26, residual support = 219.4:
    * O T HB2   LEU  104 - QD2   LEU  104   2.95 +/- 0.35  98.751% * 99.4846% (0.87  10.0 10.00   6.26 219.41) = 100.000%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.40 +/- 0.77   0.295% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.06 +/- 0.44   0.073% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  11.01 +/- 1.07   0.056% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   8.51 +/- 0.99   0.221% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.25 +/- 0.89   0.009% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.87 +/- 1.00   0.438% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  11.67 +/- 1.36   0.032% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.88 +/- 0.91   0.018% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.31 +/- 0.59   0.024% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.12 +/- 1.26   0.038% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  19.02 +/- 0.70   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  15.82 +/- 1.59   0.005% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.77 +/- 0.99   0.038% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  21.25 +/- 0.65   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 4.83, residual support = 156.5:
    * O T HB3   LEU  104 - QD2   LEU  104   2.71 +/- 0.34  17.369% * 83.3286% (0.76  10.0 10.00   5.48 219.41) =  55.735%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.04 +/- 0.07  76.494% * 15.0261% (0.14  10.0 10.00   4.00  77.28) =  44.263%  kept
          QD1   LEU   71 - QG1   VAL   41   4.43 +/- 1.34   5.787% *  0.0058% (0.05   1.0  1.00   0.02   2.75) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   7.83 +/- 1.20   0.039% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.93 +/- 1.26   0.002% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.17 +/- 0.67   0.140% *  0.0057% (0.05   1.0  1.00   0.02   2.72) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.01 +/- 0.89   0.014% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  10.19 +/- 0.81   0.006% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.50 +/- 1.15   0.005% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.11 +/- 1.51   0.073% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.02 +/- 0.80   0.027% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.52 +/- 0.75   0.008% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.32 +/- 0.77   0.020% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  10.97 +/- 1.44   0.005% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.60 +/- 1.43   0.005% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.48 +/- 1.00   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.35 +/- 0.87   0.005% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.16 +/- 1.31   0.002% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 219.4:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  91.211% * 99.1832% (1.00  10.0 10.00   6.05 219.41) =  99.996%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.10 +/- 3.03   6.292% *  0.0445% (0.04   1.0  1.00   0.23   0.15) =   0.003%
          HD3   LYS+  74 - QG2   VAL   18   4.95 +/- 1.04   1.855% *  0.0147% (0.15   1.0  1.00   0.02   1.36) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104   8.02 +/- 0.96   0.044% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.30 +/- 1.70   0.134% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   7.50 +/- 1.09   0.074% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   6.67 +/- 1.40   0.293% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.21 +/- 1.52   0.022% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.01 +/- 0.97   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.52 +/- 1.46   0.002% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.65 +/- 0.89   0.026% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.51 +/- 1.61   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.56 +/- 1.40   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  16.90 +/- 1.47   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.37 +/- 0.72   0.029% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.76 +/- 0.92   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.82 +/- 1.10   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  15.27 +/- 1.47   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.79 +/- 1.00   0.002% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.77 +/- 1.38   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  13.32 +/- 1.03   0.002% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  16.34 +/- 1.26   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.48 +/- 0.92   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.10 +/- 1.66   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.38 +/- 1.70   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  14.03 +/- 1.07   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.81 +/- 1.13   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.53, residual support = 219.4:
    * O T QD1   LEU  104 - QD2   LEU  104   2.09 +/- 0.04  94.596% * 98.4528% (0.97  10.0 10.00   5.53 219.41) =  99.998%  kept
        T QD1   LEU   73 - QG1   VAL   41   3.92 +/- 0.89   5.003% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QD2   LEU  104   8.94 +/- 1.12   0.023% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.60 +/- 0.60   0.115% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.72 +/- 0.74   0.112% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104   9.86 +/- 0.95   0.010% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.69 +/- 0.85   0.053% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.47 +/- 0.99   0.002% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.11 +/- 0.68   0.016% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  12.58 +/- 1.18   0.002% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.24 +/- 0.90   0.003% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.42 +/- 2.13   0.012% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.37 +/- 1.28   0.008% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  14.34 +/- 1.58   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41   9.15 +/- 0.79   0.015% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  11.57 +/- 1.35   0.005% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  10.02 +/- 1.50   0.011% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  13.26 +/- 0.83   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  11.11 +/- 1.21   0.005% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.99 +/- 1.27   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  12.21 +/- 0.35   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (0.73, 0.73, 22.45 ppm):
    3 diagonal assignments:
    *     QD2   LEU  104 - QD2   LEU  104  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.09)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.01)  kept
 
    Peak 1302 (4.80, 4.80, 54.18 ppm):
    1 diagonal assignment:
    *     HA    ASP- 105 - HA    ASP- 105  (1.00)  kept
 
    Peak 1303 (2.23, 4.80, 54.18 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.18, residual support = 42.9:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.79 +/- 0.14  99.803% * 99.5527% (0.95  10.0 10.00   3.18  42.93) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.73 +/- 0.43   0.122% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105   9.99 +/- 0.89   0.061% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.19 +/- 0.93   0.004% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  14.12 +/- 0.69   0.006% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.90 +/- 1.10   0.002% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.42 +/- 0.71   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  19.98 +/- 0.84   0.001% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  24.10 +/- 0.68   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.18, residual support = 42.9:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.79 +/- 0.14  99.999% * 99.7814% (0.95  10.0 10.00   3.18  42.93) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  22.55 +/- 1.46   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  24.44 +/- 1.57   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  22.30 +/- 1.65   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  24.04 +/- 1.02   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 135.8:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.20 +/- 0.12  99.104% * 99.1664% (1.00  10.0 10.00   6.31 135.78) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.92 +/- 0.24   0.842% *  0.0860% (0.87   1.0  1.00   0.02  22.02) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.29 +/- 0.88   0.042% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  11.93 +/- 1.06   0.005% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.76 +/- 1.38   0.004% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  15.86 +/- 1.43   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  18.26 +/- 1.04   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.56 +/- 0.39   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.69 +/- 1.65   0.000% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  18.99 +/- 0.61   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.13 +/- 0.63   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.94 +/- 0.53   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.84 +/- 0.86   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.01, residual support = 135.8:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.80 +/- 0.50  99.472% * 98.2431% (1.00  10.0 10.00   5.01 135.78) = 100.000%  kept
        T QG    LYS+  81 - HA    LYS+ 106  18.05 +/- 1.08   0.011% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 106  10.06 +/- 1.64   0.467% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  20.43 +/- 1.39   0.005% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  14.54 +/- 1.07   0.045% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 135.8:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.85 +/- 0.22  98.212% * 98.5750% (1.00 10.00   4.80 135.78) =  99.997%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.27 +/- 0.81   0.177% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   9.23 +/- 1.26   0.678% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  11.93 +/- 1.09   0.134% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  10.98 +/- 1.02   0.240% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  10.72 +/- 0.62   0.233% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.61 +/- 1.06   0.093% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.41 +/- 1.22   0.068% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  12.13 +/- 1.20   0.125% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.36 +/- 0.86   0.040% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.97, support = 5.06, residual support = 121.8:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.20 +/- 0.26  50.432% * 88.5522% (1.00 10.00   5.26 135.78) =  88.910%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.34 +/- 0.78  49.333% * 11.2912% (0.73  1.00   3.51  10.06) =  11.090%  kept
          HB3   PHE   60 - HA    LYS+ 106  10.81 +/- 1.14   0.214% *  0.0838% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  15.79 +/- 0.53   0.017% *  0.0608% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  20.08 +/- 1.00   0.004% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 135.8:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.20 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   6.31 135.78) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.87, 1.87, 37.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+ 106 - QB    LYS+ 106  (1.00)  kept
 
    Peak 1315 (1.56, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 135.8:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.24 +/- 0.08  99.970% * 98.2431% (1.00  10.0 10.00   5.31 135.78) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.32 +/- 0.92   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106   9.25 +/- 1.49   0.026% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.84 +/- 1.30   0.000% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  13.72 +/- 1.18   0.002% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 135.8:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.19  99.853% * 97.1433% (1.00  10.0 10.00   5.08 135.78) = 100.000%  kept
        T QG1   ILE   56 - QB    LYS+ 106   9.18 +/- 1.37   0.047% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.01 +/- 0.75   0.011% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.32 +/- 0.98   0.009% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.06 +/- 1.12   0.020% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106   9.89 +/- 0.85   0.020% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.73 +/- 0.76   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.43 +/- 1.35   0.006% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.45 +/- 0.61   0.014% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.50 +/- 1.35   0.019% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.99, support = 5.38, residual support = 131.1:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.96 +/- 0.71  91.750% * 69.5920% (1.00 10.00   5.54 135.78) =  96.279%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.13 +/- 0.88   8.148% * 30.2850% (0.73 10.00   1.20  10.06) =   3.721%  kept
          HB3   PHE   60 - QB    LYS+ 106  10.90 +/- 1.16   0.084% *  0.0658% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  14.09 +/- 0.62   0.014% *  0.0478% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  18.08 +/- 0.99   0.003% *  0.0094% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.01, residual support = 135.8:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.80 +/- 0.50  99.983% * 99.1803% (1.00  10.0 10.00   5.01 135.78) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.43 +/- 1.39   0.006% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  18.05 +/- 1.08   0.011% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.739, support = 5.26, residual support = 133.3:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.24 +/- 0.08  28.982% * 54.3218% (1.00  10.0 10.00   5.31 135.78) =  53.834%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.29 +/- 0.10  26.305% * 31.1646% (0.57  10.0 10.00   5.66 149.00) =  28.032%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  44.468% * 11.9258% (0.22  10.0 10.00   4.50 101.80) =  18.134%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.30 +/- 1.58   0.103% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.72 +/- 0.46   0.046% *  0.0471% (0.87   1.0  1.00   0.02  22.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   6.36 +/- 0.45   0.061% *  0.0135% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.51 +/- 1.88   0.029% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.78 +/- 1.44   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.12 +/- 1.31   0.002% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.20 +/- 0.98   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.32 +/- 0.92   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.84 +/- 1.30   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.34 +/- 1.76   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.62 +/- 1.48   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.01 +/- 0.75   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.42 +/- 1.81   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  19.12 +/- 0.78   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.22 +/- 1.67   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.81 +/- 1.37   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.37 +/- 1.41   0.001% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.62 +/- 1.37   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.26 +/- 0.95   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  21.40 +/- 1.84   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.45 +/- 1.11   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.74 +/- 1.78   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.72 +/- 1.70   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.79 +/- 0.77   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.05 +/- 1.38   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.85 +/- 1.88   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.20 +/- 1.19   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  22.03 +/- 1.05   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.26 +/- 1.26   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.54 +/- 1.46   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  29.25 +/- 1.55   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.81 +/- 0.80   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  28.19 +/- 1.51   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.77 +/- 1.93   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  28.21 +/- 1.09   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.23 +/- 0.99   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.09, residual support = 135.8:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.29 +/- 0.11  99.914% * 96.6493% (1.00  10.0 10.00   4.09 135.78) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.91 +/- 0.91   0.006% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  14.14 +/- 1.82   0.003% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33  10.16 +/- 1.10   0.017% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.55 +/- 1.88   0.022% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  11.87 +/- 1.54   0.008% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  12.91 +/- 1.55   0.004% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.33 +/- 0.82   0.008% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  16.65 +/- 1.18   0.001% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  14.65 +/- 1.43   0.002% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.12 +/- 1.16   0.002% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  12.87 +/- 1.08   0.004% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  20.18 +/- 1.57   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  13.94 +/- 0.65   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.99 +/- 1.45   0.002% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.77 +/- 1.62   0.002% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.15 +/- 0.97   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.91 +/- 0.84   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.19 +/- 1.38   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  15.68 +/- 1.43   0.001% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  16.77 +/- 1.32   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  22.34 +/- 1.35   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.51 +/- 1.83   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  24.79 +/- 2.27   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  27.64 +/- 1.22   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.73 +/- 2.38   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  26.58 +/- 1.63   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  23.38 +/- 0.96   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  31.88 +/- 1.82   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  28.97 +/- 1.11   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 135.8:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.75 +/- 0.33  97.940% * 98.7341% (1.00  10.0 10.00   4.53 135.78) =  99.999%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.19 +/- 1.01   1.724% *  0.0717% (0.73   1.0  1.00   0.02  10.06) =   0.001%
          HB2   ASN   35 - HG2   LYS+  33   7.98 +/- 0.76   0.261% *  0.0081% (0.08   1.0  1.00   0.02   1.43) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  11.14 +/- 0.43   0.027% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  13.84 +/- 1.66   0.009% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  20.31 +/- 1.82   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  17.19 +/- 1.63   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  11.50 +/- 0.97   0.025% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.31 +/- 1.41   0.003% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.46 +/- 1.74   0.002% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.82 +/- 1.84   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.51 +/- 1.07   0.003% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.84 +/- 0.86   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.77 +/- 1.41   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.73 +/- 0.90   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.8:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.85 +/- 0.22  99.820% * 99.1942% (0.99 10.00   4.80 135.78) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.27 +/- 0.81   0.180% *  0.8058% (0.81 10.00   0.02   0.02) =   0.001%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.08, residual support = 135.8:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.31 +/- 0.19  98.397% * 96.5416% (0.99  10.0 10.00   5.08 135.78) =  99.999%  kept
          HB    ILE  103 - QD    LYS+ 106   6.25 +/- 1.24   0.765% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+ 106   5.99 +/- 0.67   0.539% *  0.0837% (0.86   1.0  1.00   0.02  22.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.01 +/- 0.75   0.010% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   7.33 +/- 0.93   0.160% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.38 +/- 0.88   0.068% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.14 +/- 1.46   0.005% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.16 +/- 0.53   0.028% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  12.12 +/- 2.06   0.009% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.75 +/- 0.72   0.004% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  13.98 +/- 1.56   0.003% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  11.94 +/- 1.36   0.007% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  19.91 +/- 0.93   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  16.60 +/- 1.15   0.001% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.90 +/- 0.70   0.002% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.23 +/- 1.09   0.000% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.09 +/- 0.87   0.000% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.44 +/- 0.90   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.17 +/- 1.33   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  19.78 +/- 1.59   0.000% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.82 +/- 0.83   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.29 +/- 0.94   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  24.25 +/- 1.25   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.73 +/- 1.04   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.45 +/- 1.08   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  20.90 +/- 1.13   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.09, residual support = 135.8:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.29 +/- 0.11  99.962% * 96.1045% (0.99  10.0 10.00   4.09 135.78) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.91 +/- 0.91   0.006% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  14.14 +/- 1.82   0.003% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  16.65 +/- 1.18   0.001% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106   9.91 +/- 2.20   0.027% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  20.18 +/- 1.57   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  22.91 +/- 0.84   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  15.96 +/- 1.01   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.69 +/- 1.00   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  18.92 +/- 1.80   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.41, residual support = 135.8:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.02  99.674% * 98.7514% (0.99  10.0 10.00   3.41 135.78) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.30 +/- 0.83   0.256% *  0.0717% (0.72   1.0  1.00   0.02  10.06) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  10.84 +/- 1.36   0.007% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.57 +/- 0.73   0.057% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  13.01 +/- 1.09   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.81 +/- 1.21   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.45 +/- 1.17   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.29 +/- 0.78   0.003% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.86 +/- 0.93   0.000% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.71 +/- 1.64   0.000% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.26, residual support = 135.8:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.20 +/- 0.26 100.000% *100.0000% (1.00 10.00   5.26 135.78) = 100.000%  kept
    Distance limit 5.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 0.982, support = 5.29, residual support = 120.0:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.96 +/- 0.71  82.198% * 53.3343% (1.00 10.00   5.54 135.78) =  86.111%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.58 +/- 1.62  15.282% * 46.2637% (0.87 10.00   3.76  22.02) =  13.887%  kept
          HB    ILE  103 - QE    LYS+ 106   6.41 +/- 0.96   2.464% *  0.0427% (0.80  1.00   0.02   0.02) =   0.002%
          HB    ILE   56 - QE    LYS+ 106  13.30 +/- 1.61   0.013% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  14.56 +/- 1.82   0.008% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.36 +/- 2.15   0.018% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  17.15 +/- 1.62   0.003% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  18.35 +/- 1.25   0.003% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.96 +/- 1.47   0.004% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  19.53 +/- 1.88   0.002% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.46 +/- 1.50   0.003% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.66 +/- 1.28   0.001% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.31 +/- 1.00   0.002% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 135.8:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.75 +/- 0.33  99.912% * 98.2431% (1.00  10.0 10.00   4.53 135.78) = 100.000%  kept
        T QG    LYS+  81 - QE    LYS+ 106  17.19 +/- 1.63   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+ 106   9.93 +/- 1.78   0.082% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  20.31 +/- 1.82   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.25 +/- 1.31   0.003% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.41, residual support = 135.8:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.02  99.940% * 98.5861% (0.99  10.0 10.00   3.41 135.78) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.84 +/- 1.36   0.007% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  10.76 +/- 1.61   0.008% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  11.89 +/- 2.00   0.006% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.87 +/- 1.64   0.020% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.60 +/- 1.32   0.008% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.76 +/- 1.51   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  11.82 +/- 1.31   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.60 +/- 1.39   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  14.81 +/- 1.52   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.2:
    * O T HB    VAL  107 - HA    VAL  107   2.95 +/- 0.14  99.832% * 99.6302% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.75 +/- 0.85   0.051% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.64 +/- 0.42   0.089% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.88 +/- 0.53   0.025% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.61 +/- 0.75   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.39 +/- 0.90   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.56 +/- 0.51   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 58.2:
    * O T HA    VAL  107 - HB    VAL  107   2.95 +/- 0.14  99.105% * 99.7511% (0.73  10.0 10.00   3.31  58.23) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   7.00 +/- 1.09   0.857% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  13.56 +/- 1.68   0.015% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.28 +/- 0.93   0.014% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  14.83 +/- 1.47   0.008% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.08 +/- 0.78   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HB    VAL  108 - HA    VAL  108   2.59 +/- 0.36  97.633% * 99.4465% (1.00  10.0 10.00   3.30  62.12) =  99.998%  kept
          HB2   PRO   93 - HA    VAL  108   5.90 +/- 0.98   2.350% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    VAL  108  12.53 +/- 1.17   0.011% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.62 +/- 1.27   0.005% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.62 +/- 0.71   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.82 +/- 0.60   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.06 +/- 1.51   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  23.70 +/- 1.08   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  36.52 +/- 2.33   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.1:
    * O T QG1   VAL  108 - HA    VAL  108   2.63 +/- 0.04  99.979% * 99.8607% (1.00  10.0 10.00   3.97  62.12) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  13.10 +/- 1.05   0.007% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.83 +/- 0.60   0.005% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.58 +/- 1.30   0.006% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.40 +/- 1.28   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.71 +/- 0.47  99.825% * 99.7938% (1.00  10.0 10.00   3.30  62.12) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.42 +/- 1.25   0.140% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  11.67 +/- 0.69   0.025% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.46 +/- 0.36   0.010% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - HB    VAL  108   2.59 +/- 0.36  98.213% * 99.8175% (1.00  10.0 10.00   3.30  62.12) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.49 +/- 0.28   1.776% *  0.0308% (0.31   1.0  1.00   0.02   7.64) =   0.001%
          HA    ALA   47 - HB    VAL  108  13.17 +/- 1.19   0.007% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  14.38 +/- 1.38   0.004% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  18.39 +/- 1.13   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.996% * 99.8607% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  14.20 +/- 1.04   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  13.87 +/- 0.55   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  14.64 +/- 1.50   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  15.97 +/- 1.34   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  99.987% * 99.1471% (1.00  10.0 10.00   3.00  62.12) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  10.71 +/- 1.29   0.009% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.78 +/- 0.34   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.68 +/- 0.62   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.993, support = 3.96, residual support = 61.5:
    * O T HA    VAL  108 - QG1   VAL  108   2.63 +/- 0.04  81.978% * 95.2092% (1.00  10.0 10.00   3.97  62.12) =  98.941%  kept
          HA1   GLY  109 - QG1   VAL  108   3.40 +/- 0.16  17.982% *  4.6462% (0.31   1.0  1.00   3.16   7.64) =   1.059%  kept
          HA    ALA   47 - QG1   VAL  108  10.57 +/- 1.10   0.023% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  11.54 +/- 1.41   0.014% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  14.59 +/- 1.24   0.003% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  99.835% * 99.4465% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   6.62 +/- 0.81   0.161% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.79 +/- 0.87   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.72 +/- 1.46   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.60 +/- 0.78   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  20.05 +/- 0.60   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.84 +/- 1.35   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  22.13 +/- 0.77   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.52 +/- 1.96   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.02  99.983% * 99.7938% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108   9.96 +/- 0.97   0.011% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.47 +/- 0.33   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.42 +/- 0.51   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - QG2   VAL  108   2.71 +/- 0.47  95.508% * 99.8175% (1.00  10.0 10.00   3.30  62.12) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.10 +/- 0.42   4.456% *  0.0308% (0.31   1.0  1.00   0.02   7.64) =   0.001%
          HA    ALA   47 - QG2   VAL  108  11.29 +/- 1.42   0.021% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  12.40 +/- 1.36   0.013% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  15.75 +/- 1.37   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  99.851% * 98.6316% (1.00  10.0 10.00   3.00  62.12) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   7.06 +/- 1.12   0.142% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  11.48 +/- 0.88   0.005% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.58 +/- 1.20   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  17.03 +/- 0.63   0.000% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.85 +/- 0.54   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.40 +/- 1.12   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  20.40 +/- 0.63   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.94 +/- 1.90   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.02  99.988% * 99.8607% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          HB3   LEU   63 - QG2   VAL  108  11.74 +/- 0.73   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  11.30 +/- 0.37   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.25 +/- 1.15   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.16 +/- 1.22   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.18:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.999% * 98.9563% (1.00  10.0 10.00   2.00   9.18) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  15.72 +/- 1.64   0.000% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  12.93 +/- 0.45   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  14.79 +/- 0.97   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.91 +/- 0.68   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.18:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.622% * 97.8789% (1.00  10.0 10.00   2.00   9.18) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.44 +/- 0.05   0.376% *  0.0302% (0.31   1.0  1.00   0.02   7.64) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  12.45 +/- 1.93   0.001% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  16.14 +/- 1.84   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  12.66 +/- 1.36   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.53 +/- 0.96   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  24.47 +/- 0.65   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.01  99.992% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  11.84 +/- 2.17   0.005% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.05 +/- 2.09   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.82 +/- 1.55   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  19.07 +/- 1.92   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.57 +/- 1.79   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  19.85 +/- 1.72   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.31 +/- 1.82   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.13 +/- 0.86   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  22.06 +/- 1.82   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.31 +/- 1.86   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.82 +/- 1.69   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.01  98.567% * 98.8162% (1.00  10.0 10.00   1.31   9.59) =  99.999%  kept
          HA    PHE   55 - QB    ALA  110   6.17 +/- 1.89   0.464% *  0.0857% (0.87   1.0  1.00   0.02   0.48) =   0.000%
          HA    ALA   91 - QB    ALA  110   7.75 +/- 1.36   0.869% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  11.84 +/- 2.17   0.005% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.64 +/- 0.66   0.063% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  10.59 +/- 1.14   0.010% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61   9.70 +/- 0.98   0.013% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.05 +/- 0.53   0.005% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.25 +/- 1.31   0.001% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.32 +/- 0.71   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.56 +/- 0.61   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  16.02 +/- 1.01   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.2:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.71 +/- 0.16  95.282% * 98.9314% (1.00  10.0 10.00   7.98 315.24) =  99.997%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.67 +/- 0.58   4.697% *  0.0560% (0.57   1.0  1.00   0.02   2.57) =   0.003%
          HB    ILE  119 - HA    LYS+ 111  11.42 +/- 0.89   0.020% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  27.85 +/- 1.62   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  23.93 +/- 1.71   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.10 +/- 1.20   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  25.30 +/- 1.59   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  24.32 +/- 0.83   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  24.59 +/- 1.83   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  30.86 +/- 0.98   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  26.56 +/- 0.79   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.13 +/- 0.97   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.51 +/- 0.08  99.138% * 99.2615% (1.00  10.0 10.00   7.31 315.24) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.38 +/- 1.58   0.751% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.34 +/- 1.38   0.024% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  14.47 +/- 0.84   0.022% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  14.91 +/- 1.36   0.020% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  14.14 +/- 0.89   0.026% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  16.62 +/- 1.09   0.010% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.15 +/- 0.62   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.99 +/- 0.97   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  23.01 +/- 1.45   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.29 +/- 0.89   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.82 +/- 0.76   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.43 +/- 0.92   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.24 +/- 0.12  99.192% * 99.3524% (1.00  10.0 10.00   7.31 315.24) = 100.000%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.54 +/- 1.07   0.807% *  0.0373% (0.38   1.0  1.00   0.02  27.89) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  19.09 +/- 0.95   0.000% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  16.49 +/- 1.18   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  25.21 +/- 0.74   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.25 +/- 0.93   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  26.25 +/- 1.25   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.26 +/- 1.27   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.12 +/- 0.30  97.905% * 98.3525% (1.00 10.00   6.21 315.24) =  99.998%  kept
          HG3   PRO   93 - HA    LYS+ 111   6.90 +/- 1.58   1.810% *  0.0853% (0.87  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    LYS+ 111   9.04 +/- 1.35   0.227% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  12.02 +/- 1.42   0.047% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  22.41 +/- 1.53   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.86 +/- 1.85   0.003% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.06 +/- 0.77   0.004% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  20.77 +/- 1.13   0.001% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  22.00 +/- 0.86   0.001% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  27.72 +/- 0.85   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.23 +/- 1.01   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.18 +/- 0.12  99.496% * 98.5544% (1.00 10.00   6.21 315.24) = 100.000%  kept
          QB    ALA   57 - HA    LYS+ 111  10.85 +/- 1.02   0.377% *  0.0983% (1.00  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.86 +/- 1.85   0.014% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.02 +/- 0.85   0.075% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  17.85 +/- 0.91   0.017% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  18.46 +/- 1.16   0.015% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  28.29 +/- 1.04   0.001% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.23 +/- 1.01   0.005% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.2:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.96 +/- 0.39  99.986% * 99.8490% (1.00 10.00   5.62 315.24) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.76 +/- 0.57   0.013% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  24.49 +/- 1.14   0.000% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.2:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.71 +/- 0.16  99.977% * 99.7221% (1.00  10.0 10.00   7.98 315.24) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.60 +/- 0.98   0.022% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  27.85 +/- 1.62   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  26.64 +/- 1.90   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.75 +/- 0.05  99.556% * 98.9173% (1.00  10.0 10.00   7.31 315.24) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.36 +/- 0.20   0.275% *  0.0197% (0.20   1.0  1.00   0.02  50.02) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   9.26 +/- 1.19   0.087% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.16 +/- 1.51   0.006% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  14.73 +/- 1.16   0.005% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  14.65 +/- 1.54   0.006% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  12.70 +/- 1.54   0.013% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.86 +/- 1.94   0.009% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.25 +/- 1.51   0.010% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.14 +/- 0.61   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  16.92 +/- 1.10   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.72 +/- 0.80   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.99 +/- 0.58   0.004% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  18.83 +/- 1.38   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  16.51 +/- 1.79   0.003% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.36 +/- 1.00   0.002% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  14.83 +/- 1.41   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  22.78 +/- 1.39   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.22 +/- 1.29   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.16 +/- 1.60   0.007% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  28.40 +/- 1.78   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  27.12 +/- 1.43   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  18.81 +/- 1.37   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  21.82 +/- 1.37   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.15 +/- 1.44   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.91 +/- 2.05   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.2:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.99 +/- 0.02  97.016% * 98.4912% (1.00  10.0 10.00   7.29 315.24) = 100.000%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.97 +/- 1.13   0.512% *  0.0370% (0.38   1.0  1.00   0.02  27.89) =   0.000%
          HG    LEU   71 - HG3   GLN   30   7.54 +/- 1.45   0.914% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   7.36 +/- 1.12   0.836% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  10.94 +/- 1.86   0.077% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   7.55 +/- 1.16   0.632% *  0.0039% (0.04   1.0  1.00   0.02  10.45) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  19.57 +/- 1.20   0.001% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  16.35 +/- 1.12   0.004% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  25.73 +/- 1.56   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.31 +/- 1.44   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  17.98 +/- 1.62   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  28.49 +/- 1.62   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.77 +/- 0.71   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.72 +/- 1.42   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  24.70 +/- 1.12   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  29.26 +/- 1.96   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.2:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.34 +/- 0.51  98.311% * 97.6852% (1.00  10.0 10.00   6.62 315.24) = 100.000%  kept
          HB2   LEU   73 - HG3   GLN   30   6.20 +/- 1.72   1.414% *  0.0176% (0.18   1.0  1.00   0.02   5.35) =   0.000%
          HG3   PRO   93 - HB2   LYS+ 111   8.17 +/- 1.38   0.149% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111   9.94 +/- 1.43   0.049% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.51 +/- 1.99   0.055% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.85 +/- 1.82   0.000% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  15.83 +/- 0.85   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  17.42 +/- 1.44   0.001% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  15.18 +/- 0.61   0.003% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.25 +/- 1.76   0.001% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.53 +/- 2.42   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.32 +/- 1.54   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.44 +/- 1.24   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  23.02 +/- 2.28   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.91 +/- 1.49   0.008% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.84 +/- 1.24   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  16.19 +/- 0.89   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  29.39 +/- 2.02   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.92 +/- 1.66   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.25 +/- 1.32   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.85 +/- 1.74   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.22 +/- 1.40   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 315.2:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.03 +/- 0.21  93.843% * 98.0752% (1.00  10.0 10.00   6.62 315.24) =  99.988%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.98 +/- 1.27   6.022% *  0.1768% (0.18   1.0 10.00   0.02   0.17) =   0.012%
          QB    ALA   57 - HB2   LYS+ 111  12.18 +/- 0.75   0.026% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  11.83 +/- 1.56   0.043% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.28 +/- 1.11   0.025% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.25 +/- 1.76   0.002% *  0.2446% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  16.69 +/- 0.87   0.004% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.53 +/- 2.42   0.006% *  0.0492% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.85 +/- 1.38   0.000% *  0.8796% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  19.03 +/- 1.38   0.002% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.91 +/- 1.49   0.023% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.70 +/- 1.87   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.84 +/- 1.80   0.000% *  0.1971% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.25 +/- 1.32   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.48 +/- 1.44   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.79 +/- 1.18   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.2:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.33 +/- 0.72  86.761% * 99.6189% (1.00 10.00   6.06 315.24) =  99.998%  kept
          HB2   CYS   21 - HG3   GLN   30   5.44 +/- 1.09  13.202% *  0.0113% (0.11  1.00   0.02   0.02) =   0.002%
          HB2   PHE   45 - HB2   LYS+ 111  14.06 +/- 0.84   0.023% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  16.17 +/- 1.79   0.013% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  26.73 +/- 1.71   0.000% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  24.59 +/- 1.06   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.51 +/- 0.08  99.892% * 99.9354% (1.00  10.0 10.00   7.31 315.24) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  11.47 +/- 1.33   0.108% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.28, residual support = 313.4:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.75 +/- 0.05  77.964% * 96.9494% (1.00  10.0 10.00   7.31 315.24) =  99.404%  kept
          QB    GLU- 114 - HG2   LYS+ 111   3.93 +/- 1.21  22.027% *  2.0583% (0.57   1.0  1.00   0.75   2.57) =   0.596%  kept
          HB    ILE  119 - HG2   LYS+ 111  12.74 +/- 1.03   0.008% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  28.40 +/- 1.78   0.000% *  0.4719% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.72 +/- 1.65   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.24 +/- 1.41   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  26.71 +/- 1.76   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.38 +/- 1.22   0.000% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  25.88 +/- 2.00   0.000% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.11 +/- 1.19   0.000% *  0.0869% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.56 +/- 1.82   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  26.94 +/- 1.36   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.2:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.992% * 98.1828% (1.00  10.0 10.00   6.98 315.24) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   9.48 +/- 1.46   0.008% *  0.0368% (0.38   1.0  1.00   0.02  27.89) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  15.71 +/- 1.42   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  20.29 +/- 1.09   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.82 +/- 1.65   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  25.87 +/- 1.26   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  26.94 +/- 1.79   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.49 +/- 1.44   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.91 +/- 0.12  99.278% * 97.1375% (1.00  10.0 10.00   6.21 315.24) =  99.999%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  10.55 +/- 2.31   0.074% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 111   8.16 +/- 1.81   0.431% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 111   9.07 +/- 1.87   0.211% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.41 +/- 1.83   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.23 +/- 2.35   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  17.93 +/- 0.92   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.86 +/- 1.78   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.37 +/- 1.43   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  22.51 +/- 1.57   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.98 +/- 1.52   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.30 +/- 0.04  99.993% * 97.8296% (1.00  10.0 10.00   6.21 315.24) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  13.00 +/- 1.02   0.003% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  19.72 +/- 1.16   0.000% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  13.94 +/- 1.32   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.86 +/- 1.78   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  18.81 +/- 1.00   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  28.71 +/- 1.37   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.98 +/- 1.52   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.2:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   3.09 +/- 0.12  99.987% * 99.8490% (1.00  10.0 10.00   5.62 315.24) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.08 +/- 1.08   0.012% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  25.15 +/- 1.46   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.2:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.24 +/- 0.12  99.982% * 99.8218% (1.00  10.0 10.00   7.31 315.24) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  10.08 +/- 1.28   0.017% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  19.09 +/- 0.95   0.000% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  16.26 +/- 0.64   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.2:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.99 +/- 0.02  89.954% * 98.2440% (1.00  10.0 10.00   7.29 315.24) =  99.994%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.75 +/- 0.88   9.259% *  0.0556% (0.57   1.0  1.00   0.02   2.57) =   0.006%
        T HB    ILE   19 - HG2   LYS+  74   7.56 +/- 1.13   0.537% *  0.0511% (0.05   1.0 10.00   0.02   8.15) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  10.94 +/- 1.86   0.070% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74   9.98 +/- 1.00   0.081% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.87 +/- 0.97   0.015% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  13.45 +/- 1.33   0.013% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  19.57 +/- 1.20   0.001% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  25.28 +/- 1.01   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  10.94 +/- 0.96   0.043% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  14.20 +/- 1.09   0.009% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  28.49 +/- 1.62   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  17.13 +/- 2.39   0.004% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  25.35 +/- 1.71   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.23 +/- 1.29   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.89 +/- 1.05   0.003% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  26.75 +/- 1.66   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  17.67 +/- 1.65   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  26.01 +/- 1.90   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.51 +/- 1.36   0.004% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  31.10 +/- 1.02   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  27.13 +/- 1.00   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.41 +/- 1.31   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.03 +/- 1.19   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.2:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.554% * 98.9181% (1.00  10.0 10.00   6.98 315.24) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   5.23 +/- 1.13   0.403% *  0.0077% (0.08   1.0  1.00   0.02   6.01) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   8.95 +/- 1.64   0.007% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.13 +/- 1.62   0.004% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.43 +/- 1.62   0.004% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.81 +/- 1.18   0.021% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  14.00 +/- 1.51   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.67 +/- 1.51   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.32 +/- 1.09   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  10.75 +/- 1.17   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  18.95 +/- 1.50   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.12 +/- 0.88   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  16.27 +/- 1.04   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  20.29 +/- 1.09   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  11.67 +/- 0.97   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  14.65 +/- 0.64   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.20 +/- 0.68   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  21.84 +/- 1.06   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  13.66 +/- 0.97   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.09 +/- 1.28   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  22.97 +/- 1.42   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.12 +/- 0.89   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.74 +/- 1.23   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  28.02 +/- 1.16   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.12 +/- 1.27   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.88 +/- 1.23   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.2:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.74 +/- 0.18  98.434% * 96.7411% (1.00  10.0 10.00   5.40 315.24) =  99.999%  kept
          HG3   PRO   93 - HG3   LYS+ 111   7.32 +/- 1.70   0.555% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111   8.56 +/- 1.65   0.197% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  11.54 +/- 1.83   0.026% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.57 +/- 0.69   0.705% *  0.0093% (0.10   1.0  1.00   0.02  41.43) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  11.95 +/- 2.29   0.030% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.18 +/- 1.44   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.20 +/- 1.94   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.49 +/- 0.82   0.003% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.62 +/- 1.31   0.002% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.34 +/- 0.82   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.42 +/- 1.84   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  13.68 +/- 1.36   0.009% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  19.58 +/- 1.62   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.13 +/- 1.22   0.028% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  21.08 +/- 1.49   0.001% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  15.02 +/- 1.32   0.005% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  22.58 +/- 1.24   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.09 +/- 1.05   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  20.55 +/- 1.15   0.001% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.08 +/- 1.19   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.15 +/- 1.42   0.001% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.898, support = 5.41, residual support = 300.9:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.91 +/- 0.11  41.364% * 89.7666% (1.00  10.0 10.00   5.40 315.24) =  88.786%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.75 +/- 0.25  58.525% *  8.0133% (0.09  10.0 10.00   5.54 187.75) =  11.214%  kept
          QB    ALA   57 - HG3   LYS+ 111  12.09 +/- 1.15   0.009% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   9.02 +/- 1.01   0.058% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  11.95 +/- 2.29   0.017% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.31 +/- 1.14   0.000% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.57 +/- 1.35   0.003% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.42 +/- 1.84   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.73 +/- 1.06   0.003% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.18 +/- 0.95   0.001% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.94 +/- 1.10   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.13 +/- 1.22   0.017% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  21.79 +/- 1.22   0.000% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.08 +/- 1.19   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.52 +/- 1.59   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.80 +/- 1.43   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.2:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.20 +/- 0.47  99.640% * 99.7265% (1.00  10.0 10.00   5.44 315.24) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   7.14 +/- 1.17   0.253% *  0.0060% (0.06   1.0  1.00   0.02  10.15) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   8.32 +/- 0.62   0.103% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  13.91 +/- 0.79   0.003% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  19.09 +/- 1.26   0.001% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  25.07 +/- 1.31   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.12 +/- 0.30  99.918% * 99.4172% (1.00 10.00   6.21 315.24) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  11.56 +/- 1.36   0.076% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.86 +/- 1.85   0.003% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  22.41 +/- 1.53   0.001% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.53 +/- 1.14   0.003% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.72 +/- 0.85   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.46 +/- 1.56   0.000% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  30.93 +/- 0.78   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.2:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.34 +/- 0.51  75.424% * 97.9440% (1.00  10.0 10.00   6.62 315.24) =  99.997%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.51 +/- 0.81   1.893% *  0.0555% (0.57   1.0  1.00   0.02   2.57) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   5.91 +/- 2.57   4.806% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   3.41 +/- 0.67  17.313% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.33 +/- 1.82   0.341% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.03 +/- 2.22   0.093% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.16 +/- 1.39   0.032% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   8.80 +/- 2.22   0.054% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  17.42 +/- 1.44   0.001% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.66 +/- 0.89   0.004% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.25 +/- 1.76   0.000% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.85 +/- 1.82   0.000% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.39 +/- 1.95   0.008% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.53 +/- 2.42   0.001% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  15.18 +/- 0.61   0.001% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  11.90 +/- 1.35   0.009% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.07 +/- 1.67   0.003% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.30 +/- 1.69   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.95 +/- 1.66   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  29.39 +/- 2.02   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  17.94 +/- 1.90   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.37 +/- 2.27   0.004% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.63 +/- 1.23   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.30 +/- 1.35   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.49 +/- 1.77   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  19.62 +/- 2.66   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.17 +/- 2.47   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.42 +/- 1.04   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.09 +/- 1.81   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.44 +/- 1.24   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.64 +/- 1.30   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.92 +/- 1.49   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.39 +/- 0.74   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.27 +/- 0.74   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  22.58 +/- 1.17   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  26.07 +/- 1.63   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.33 +/- 2.14   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  26.14 +/- 1.17   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  18.58 +/- 1.50   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  19.86 +/- 1.27   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  22.72 +/- 2.07   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  32.32 +/- 1.50   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.43 +/- 0.62   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.28 +/- 1.17   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.48 +/- 1.32   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.96 +/- 1.38   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.08 +/- 1.59   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  20.69 +/- 1.39   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.857, support = 6.14, residual support = 300.4:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.91 +/- 0.12  24.952% * 90.8110% (1.00  10.0 10.00   6.21 315.24) =  84.769%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.40 +/- 0.17  74.379% *  5.4729% (0.06  10.0 10.00   5.75 217.82) =  15.228%  kept
        T HG2   LYS+  99 - QD    LYS+ 102   8.01 +/- 1.58   0.149% *  0.2129% (0.23   1.0 10.00   0.02   1.49) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  38   6.37 +/- 0.66   0.256% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   93 - HD2   LYS+ 111  10.30 +/- 1.11   0.016% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  11.18 +/- 1.55   0.011% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.85 +/- 1.28   0.135% *  0.0106% (0.12   1.0  1.00   0.02   2.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.35 +/- 0.53   0.047% *  0.0116% (0.13   1.0  1.00   0.02   1.47) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  12.32 +/- 1.83   0.006% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.96 +/- 1.67   0.002% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.14 +/- 1.52   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.36 +/- 1.28   0.001% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.73 +/- 0.89   0.006% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.00 +/- 1.42   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.71 +/- 1.21   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.23 +/- 2.35   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.20 +/- 1.36   0.006% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  11.85 +/- 0.71   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.86 +/- 1.78   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  14.41 +/- 2.20   0.003% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.74 +/- 2.32   0.002% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.90 +/- 1.05   0.008% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.48 +/- 1.42   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.30 +/- 1.50   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.37 +/- 1.22   0.001% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.72 +/- 0.92   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  17.50 +/- 1.16   0.001% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  18.71 +/- 2.58   0.001% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.56 +/- 1.51   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.07 +/- 1.19   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.55 +/- 1.34   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  16.39 +/- 2.03   0.001% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  15.10 +/- 2.08   0.002% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.32 +/- 1.55   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.90 +/- 1.40   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.40 +/- 1.63   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.97 +/- 1.78   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.03 +/- 1.09   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.78 +/- 1.38   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.37 +/- 1.43   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  20.95 +/- 1.26   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.38 +/- 0.88   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.07 +/- 1.57   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 0.88   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.98 +/- 0.87   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.84 +/- 0.54   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.35 +/- 0.72   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.09 +/- 0.86   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.65 +/- 1.08   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.74 +/- 0.75   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.63 +/- 0.72   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.63 +/- 1.03   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.2:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.74 +/- 0.18  98.363% * 98.1177% (1.00  10.0 10.00   5.40 315.24) =  99.999%  kept
        T HG3   LYS+  99 - QD    LYS+ 102   7.97 +/- 1.32   0.310% *  0.0875% (0.09   1.0 10.00   0.02   1.49) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   6.55 +/- 0.75   0.685% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD2   LYS+ 111   8.51 +/- 1.43   0.419% *  0.0368% (0.38   1.0  1.00   0.02  27.89) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  11.95 +/- 2.29   0.030% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.28 +/- 2.43   0.092% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  21.08 +/- 1.49   0.001% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  17.19 +/- 1.40   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.20 +/- 1.94   0.000% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.72 +/- 1.81   0.016% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.42 +/- 1.84   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.88 +/- 2.01   0.016% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  16.15 +/- 2.22   0.004% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  19.58 +/- 1.62   0.001% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.32 +/- 1.67   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.45 +/- 0.84   0.022% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.63 +/- 1.25   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.50 +/- 1.13   0.022% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.08 +/- 1.22   0.004% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.64 +/- 1.21   0.003% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.46 +/- 2.55   0.003% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.55 +/- 1.15   0.001% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.42 +/- 0.86   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.09 +/- 1.05   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  26.66 +/- 1.06   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.62 +/- 1.34   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  27.69 +/- 1.45   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.74 +/- 1.15   0.002% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.27 +/- 0.89   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.17 +/- 1.51   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  25.65 +/- 1.29   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  29.28 +/- 1.37   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.2:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.22 +/- 0.08  99.995% * 99.2899% (1.00  10.0 10.00   4.97 315.24) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.23 +/- 1.22   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.64 +/- 1.48   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.15 +/- 1.76   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.52 +/- 1.84   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  16.59 +/- 0.90   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.70 +/- 1.95   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.13 +/- 2.12   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.03 +/- 1.21   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  26.18 +/- 1.23   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.03 +/- 1.11   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.91 +/- 0.64   0.000% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.18 +/- 0.12  99.741% * 98.7339% (1.00 10.00   6.21 315.24) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  12.43 +/- 1.37   0.230% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.86 +/- 1.85   0.014% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  28.29 +/- 1.04   0.001% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  18.53 +/- 1.14   0.014% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  28.32 +/- 1.16   0.001% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 315.1:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.03 +/- 0.21  67.873% * 96.6565% (1.00  10.0 10.00   6.62 315.24) =  99.952%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.98 +/- 1.27   5.005% *  0.4216% (0.44   1.0 10.00   0.02   0.17) =   0.032%
          QB    GLU- 114 - HD3   LYS+ 111   4.59 +/- 1.03  10.955% *  0.0547% (0.57   1.0  1.00   0.02   2.57) =   0.009%
          HB2   GLN   17 - QD    LYS+  65   5.91 +/- 2.57  12.423% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU-  15 - QD    LYS+  33   8.24 +/- 2.40   0.943% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD    LYS+  33   6.02 +/- 0.74   1.413% *  0.0193% (0.20   1.0  1.00   0.02   0.17) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.03 +/- 2.22   0.561% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  33   8.59 +/- 1.27   0.231% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   8.80 +/- 2.22   0.329% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.16 +/- 1.39   0.125% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.73 +/- 1.42   0.016% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  13.37 +/- 1.76   0.014% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  14.68 +/- 1.74   0.007% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.36 +/- 1.16   0.019% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.53 +/- 2.42   0.003% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.39 +/- 1.95   0.031% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.25 +/- 1.76   0.001% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.31 +/- 1.74   0.006% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.47 +/- 0.90   0.009% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  11.90 +/- 1.35   0.026% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.85 +/- 1.38   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.63 +/- 1.23   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  29.84 +/- 1.80   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  23.23 +/- 1.08   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.33 +/- 2.14   0.003% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  27.03 +/- 1.70   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.31 +/- 1.29   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  27.72 +/- 1.70   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.17 +/- 1.37   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  22.72 +/- 2.07   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.80 +/- 1.07   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  26.85 +/- 1.92   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.08 +/- 1.59   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.60 +/- 1.19   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.50 +/- 1.62   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  28.35 +/- 1.27   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.2:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.30 +/- 0.04  99.813% * 96.9774% (1.00  10.0 10.00   6.21 315.24) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.04 +/- 1.04   0.081% *  0.0861% (0.89   1.0  1.00   0.02   0.55) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33  10.01 +/- 0.61   0.016% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.35 +/- 0.53   0.048% *  0.0201% (0.21   1.0  1.00   0.02   1.47) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.99 +/- 0.94   0.010% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.43 +/- 0.90   0.003% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.63 +/- 1.28   0.003% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.73 +/- 0.89   0.006% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.00 +/- 1.42   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  14.56 +/- 1.58   0.002% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.20 +/- 1.36   0.006% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  16.60 +/- 0.97   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.96 +/- 1.51   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.50 +/- 1.09   0.001% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  17.10 +/- 1.41   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.86 +/- 1.78   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  17.03 +/- 1.18   0.001% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.30 +/- 1.50   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  18.75 +/- 2.31   0.000% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  28.71 +/- 1.37   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.50 +/- 1.07   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.63 +/- 0.85   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.52 +/- 0.86   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.22 +/- 0.79   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.56 +/- 1.54   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  20.26 +/- 0.89   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  17.07 +/- 0.95   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.90 +/- 1.40   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.50 +/- 1.27   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  24.83 +/- 1.49   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.40 +/- 1.63   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.03 +/- 1.09   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  20.95 +/- 1.26   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  15.98 +/- 0.88   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.88 +/- 1.35   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.98 +/- 0.87   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.92 +/- 1.51   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.35 +/- 0.72   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.21 +/- 1.47   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.2:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.91 +/- 0.11  94.020% * 97.4498% (1.00  10.0 10.00   5.40 315.24) =  99.998%  kept
          HG    LEU   71 - QD    LYS+  33   6.00 +/- 1.56   3.666% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  33   6.49 +/- 1.46   1.734% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HD3   LYS+ 111   9.79 +/- 1.42   0.134% *  0.0366% (0.38   1.0  1.00   0.02  27.89) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   8.84 +/- 1.52   0.221% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  11.95 +/- 2.29   0.036% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  14.57 +/- 1.35   0.007% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  10.28 +/- 2.43   0.120% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.77 +/- 1.08   0.010% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  17.07 +/- 1.03   0.003% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.42 +/- 1.84   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.72 +/- 1.81   0.020% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  21.79 +/- 1.22   0.001% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.88 +/- 2.01   0.020% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.32 +/- 1.67   0.002% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  28.94 +/- 1.10   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  20.54 +/- 1.01   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.46 +/- 2.55   0.004% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.42 +/- 0.86   0.001% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.72 +/- 1.51   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  27.17 +/- 1.11   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  28.23 +/- 1.57   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  29.21 +/- 1.50   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.89 +/- 1.43   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.2:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.51 +/- 0.10  99.966% * 98.5534% (1.00  10.0 10.00   4.97 315.24) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  10.27 +/- 0.96   0.027% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  15.58 +/- 0.89   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.15 +/- 1.76   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.96 +/- 1.29   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  19.12 +/- 0.85   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  16.59 +/- 0.90   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  15.70 +/- 1.95   0.002% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.65 +/- 1.08   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.2:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.96 +/- 0.39  99.860% * 99.9354% (1.00 10.00   5.62 315.24) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111   9.62 +/- 1.04   0.140% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.2:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.33 +/- 0.72  90.685% * 98.9314% (1.00 10.00   6.06 315.24) =  99.994%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.11 +/- 0.74   9.264% *  0.0560% (0.57  1.00   0.02   2.57) =   0.006%
          HB    ILE  119 - QE    LYS+ 111  12.37 +/- 1.11   0.044% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  26.73 +/- 1.71   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  23.83 +/- 1.68   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.46 +/- 1.23   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.90 +/- 1.66   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.86 +/- 1.05   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  24.21 +/- 1.97   0.001% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.99 +/- 1.31   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.53 +/- 1.20   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.43 +/- 1.21   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.2:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   3.09 +/- 0.12  99.708% * 99.2615% (1.00  10.0 10.00   5.62 315.24) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.19 +/- 1.08   0.209% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  13.14 +/- 1.61   0.031% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.20 +/- 1.40   0.009% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  14.99 +/- 1.22   0.010% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.38 +/- 1.29   0.009% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.51 +/- 0.99   0.017% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.61 +/- 0.76   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.11 +/- 1.53   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  21.68 +/- 1.51   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.15 +/- 1.13   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  26.27 +/- 1.35   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.58 +/- 1.33   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.2:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.20 +/- 0.47  99.830% * 99.3524% (1.00  10.0 10.00   5.44 315.24) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.67 +/- 1.41   0.164% *  0.0373% (0.38   1.0  1.00   0.02  27.89) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  15.29 +/- 1.34   0.005% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  19.09 +/- 1.26   0.001% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.08 +/- 1.27   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  24.55 +/- 1.20   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  25.47 +/- 1.38   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.79 +/- 1.42   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.2:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.22 +/- 0.08  99.846% * 98.3525% (1.00  10.0 10.00   4.97 315.24) = 100.000%  kept
          HG3   PRO   93 - QE    LYS+ 111   7.66 +/- 1.03   0.079% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 111   8.50 +/- 1.49   0.061% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.15 +/- 1.63   0.013% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.64 +/- 1.48   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.03 +/- 1.02   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.15 +/- 1.76   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.81 +/- 1.11   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.03 +/- 1.21   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.47 +/- 1.30   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.88 +/- 1.37   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.2:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.51 +/- 0.10  99.982% * 98.5544% (1.00  10.0 10.00   4.97 315.24) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.62 +/- 1.03   0.011% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.15 +/- 1.76   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  13.99 +/- 1.23   0.004% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  17.77 +/- 1.01   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.96 +/- 1.29   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.50 +/- 1.33   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.88 +/- 1.37   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.6:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.82 +/- 0.20  99.117% * 98.3538% (1.00  10.0 10.00   6.00 231.58) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.52 +/- 2.21   0.851% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  16.51 +/- 0.95   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.50 +/- 0.64   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.44 +/- 1.68   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.95 +/- 0.84   0.012% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  17.57 +/- 1.53   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.35 +/- 0.91   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  20.71 +/- 0.98   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.33 +/- 0.70   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.29 +/- 0.94   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.84 +/- 1.32   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  28.76 +/- 0.92   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  27.63 +/- 1.50   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.6:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.81 +/- 0.82  99.880% * 99.8441% (1.00  10.0 10.00   6.08 231.58) = 100.000%  kept
          QB    ALA   47 - HA    LYS+ 112  12.30 +/- 1.36   0.069% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HA    LYS+ 112  11.99 +/- 0.76   0.052% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.43 +/- 0.30  99.603% * 99.8009% (1.00  10.0 10.00   5.76 231.58) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  10.59 +/- 1.87   0.182% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.88 +/- 0.49   0.206% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  16.75 +/- 0.84   0.008% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  22.20 +/- 1.02   0.002% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.781, support = 6.14, residual support = 231.6:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.56 +/- 0.23  94.115% * 43.2573% (0.76  10.0 10.00   6.19 231.58) =  92.963%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.47 +/- 0.51   5.445% * 56.6026% (1.00   1.0 10.00   5.49 231.58) =   7.037%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.44 +/- 0.18   0.421% *  0.0212% (0.38   1.0  1.00   0.02  27.89) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  11.23 +/- 1.03   0.018% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.73 +/- 1.69   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.88 +/- 0.83   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.6:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.82 +/- 0.20  99.849% * 98.8850% (1.00  10.0 10.00   6.00 231.58) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42   8.93 +/- 0.94   0.134% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  16.51 +/- 0.95   0.003% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.64 +/- 0.94   0.010% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  16.30 +/- 1.59   0.003% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.67 +/- 0.89   0.002% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1425 (1.37, 1.37, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 112 - HB2   LYS+ 112  (1.00)  kept
          HB    VAL   42 - HB    VAL   42  (0.80)  kept
 
    Peak 1426 (0.36, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 0.769, support = 4.73, residual support = 119.7:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  83.548% * 40.6012% (0.70  10.0 10.00   4.17  88.48) =  78.151%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.81 +/- 0.17  16.448% * 57.6594% (1.00  10.0 10.00   6.74 231.58) =  21.849%  kept
        T QB    ALA   47 - HB2   LYS+ 112  13.10 +/- 1.61   0.003% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.14 +/- 0.80   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.10 +/- 0.26   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.24 +/- 1.36   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.57 +/- 0.32  99.517% * 98.8037% (1.00  10.0 10.00   5.76 231.58) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   7.35 +/- 1.18   0.362% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.05 +/- 0.76   0.073% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.02 +/- 1.75   0.011% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  19.19 +/- 1.03   0.001% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.41 +/- 0.55   0.016% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  12.10 +/- 0.62   0.012% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  13.21 +/- 0.92   0.007% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.21 +/- 0.70   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  24.03 +/- 1.22   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.774, support = 6.19, residual support = 231.6:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  96.578% * 42.8460% (0.76  10.0 10.00   6.19 231.58) =  95.663%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.27 +/- 0.44   3.346% * 56.0644% (1.00  10.0 10.00   6.19 231.58) =   4.337%  kept
          HB3   LEU   71 - HB    VAL   42   6.79 +/- 0.61   0.035% *  0.0468% (0.84   1.0  1.00   0.02   2.39) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.60 +/- 0.54   0.038% *  0.0210% (0.38   1.0  1.00   0.02  27.89) =   0.000%
          QG2   THR   94 - HB    VAL   42  10.45 +/- 0.51   0.002% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.94 +/- 1.15   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  18.58 +/- 1.22   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  19.85 +/- 1.38   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  15.05 +/- 0.76   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  19.61 +/- 1.81   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.56 +/- 1.12   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  25.40 +/- 0.98   0.000% *  0.0556% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.6:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.81 +/- 0.82  99.989% * 99.8459% (1.00  10.0 10.00   6.08 231.58) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  15.51 +/- 1.63   0.007% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  17.02 +/- 1.11   0.004% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 231.6:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.81 +/- 0.17  99.851% * 98.3538% (1.00  10.0 10.00   6.74 231.58) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.75 +/- 2.58   0.128% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  18.24 +/- 1.36   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.70 +/- 1.22   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  16.99 +/- 1.82   0.003% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  14.33 +/- 1.47   0.008% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.70 +/- 1.55   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.23 +/- 1.06   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  22.27 +/- 1.35   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  20.19 +/- 1.16   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.39 +/- 1.51   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  27.04 +/- 1.76   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  30.43 +/- 1.37   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  28.52 +/- 1.84   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.6:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.997% * 99.8009% (1.00  10.0 10.00   6.98 231.58) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.00 +/- 2.03   0.002% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.41 +/- 0.90   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.87 +/- 1.20   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  23.56 +/- 1.18   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.876, support = 6.77, residual support = 231.6:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.75 +/- 0.27  58.871% * 43.2573% (0.76  10.0 10.00   6.97 231.58) =  52.388%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.94 +/- 0.17  40.889% * 56.6026% (1.00  10.0 10.00   6.55 231.58) =  47.612%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.30 +/- 0.67   0.231% *  0.0212% (0.38   1.0  1.00   0.02  27.89) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  12.78 +/- 1.21   0.008% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  19.37 +/- 1.75   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  24.48 +/- 1.54   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.43 +/- 0.30  99.984% * 99.8459% (1.00  10.0 10.00   5.76 231.58) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  16.15 +/- 1.52   0.011% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.88 +/- 0.66   0.006% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.6:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.57 +/- 0.32  99.923% * 98.3538% (1.00  10.0 10.00   5.76 231.58) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112  10.28 +/- 2.33   0.068% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  19.19 +/- 1.03   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  17.32 +/- 0.58   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.87 +/- 1.83   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  15.20 +/- 1.05   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  19.12 +/- 1.47   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.81 +/- 0.93   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  23.14 +/- 1.03   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.93 +/- 0.68   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  22.18 +/- 1.03   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.74 +/- 1.28   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  31.38 +/- 1.12   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  29.26 +/- 1.69   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.6:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.999% * 99.8441% (1.00  10.0 10.00   6.98 231.58) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  13.04 +/- 1.56   0.001% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  14.24 +/- 0.83   0.000% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.939, support = 5.69, residual support = 231.6:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.40 +/- 0.13  68.534% * 56.6026% (1.00  10.0 10.00   5.57 231.58) =  74.104%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.77 +/- 0.22  31.338% * 43.2573% (0.76  10.0  1.00   6.02 231.58) =  25.896%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.05 +/- 0.62   0.126% *  0.0212% (0.38   1.0  1.00   0.02  27.89) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  13.24 +/- 0.89   0.003% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  19.89 +/- 1.48   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  25.44 +/- 1.04   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 231.6:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.47 +/- 0.51  99.931% * 99.8459% (1.00 10.00   5.49 231.58) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  16.88 +/- 1.66   0.045% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  18.24 +/- 1.26   0.024% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 231.6:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.27 +/- 0.44  99.855% * 98.3538% (1.00  10.0 10.00   6.19 231.58) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112  11.46 +/- 2.39   0.107% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  19.85 +/- 1.38   0.003% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  17.72 +/- 2.38   0.008% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  18.47 +/- 0.67   0.004% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  15.99 +/- 1.20   0.011% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.72 +/- 1.45   0.006% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  20.10 +/- 1.71   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  23.91 +/- 1.23   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  21.76 +/- 0.87   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  23.17 +/- 1.10   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  28.74 +/- 1.29   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  29.31 +/- 2.19   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  32.00 +/- 1.42   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.55, residual support = 231.6:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.94 +/- 0.17  99.977% * 99.8441% (1.00  10.0 10.00   6.55 231.58) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  13.80 +/- 1.73   0.016% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  14.84 +/- 1.07   0.007% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 231.6:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.40 +/- 0.13  99.989% * 99.8009% (1.00  10.0 10.00   5.57 231.58) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.41 +/- 2.24   0.006% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.92 +/- 0.66   0.005% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.51 +/- 1.01   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  25.00 +/- 1.24   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T QB    ASP- 113 - HA    ASP- 113   2.45 +/- 0.12 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.27) = 100.000%  kept
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T HA    ASP- 113 - QB    ASP- 113   2.45 +/- 0.12  99.962% * 99.1713% (1.00  10.0 10.00   2.00  14.27) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.26 +/- 0.66   0.012% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.06 +/- 0.45   0.023% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  14.73 +/- 0.48   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.53 +/- 0.77   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.58 +/- 0.79   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.934, support = 3.24, residual support = 48.5:
    * O T QB    GLU- 114 - HA    GLU- 114   2.26 +/- 0.12  73.266% * 63.8790% (0.97  10.0 10.00   3.13  43.63) =  95.967%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.76 +/- 0.13  22.974% *  6.0284% (0.09  10.0 10.00   6.19 228.38) =   2.840%  kept
        T QB    GLU- 114 - HA    LEU  115   4.34 +/- 0.37   1.975% * 29.3979% (0.44   1.0 10.00   4.77  15.25) =   1.190%  kept
          HB2   LYS+ 111 - HA    GLU- 114   4.78 +/- 0.66   1.173% *  0.0481% (0.73   1.0  1.00   0.02   2.57) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.57 +/- 0.08   0.340% *  0.1310% (0.20   1.0 10.00   0.02  15.25) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.31 +/- 1.00   0.263% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.24 +/- 1.37   0.007% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.59 +/- 0.91   0.001% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.07 +/- 1.60   0.000% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  21.20 +/- 1.62   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.11 +/- 0.87   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  18.90 +/- 1.24   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  19.53 +/- 0.84   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.43 +/- 0.98   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.05 +/- 0.92   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  23.34 +/- 1.18   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.88 +/- 1.31   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  22.26 +/- 1.28   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.17 +/- 1.43   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  27.38 +/- 1.19   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.74 +/- 1.61   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.73 +/- 1.47   0.000% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.861, support = 3.65, residual support = 36.4:
    * O T QG    GLU- 114 - HA    GLU- 114   3.02 +/- 0.40  57.380% * 68.1764% (1.00  10.0 10.00   3.41  43.63) =  74.539%  kept
        T QG    GLU- 114 - HA    LEU  115   3.92 +/- 1.34  42.589% * 31.3756% (0.46   1.0 10.00   4.35  15.25) =  25.461%  kept
          HG2   MET   92 - HA    GLU- 114  14.63 +/- 1.82   0.006% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  13.07 +/- 1.58   0.012% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  14.37 +/- 1.64   0.009% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  16.28 +/- 1.62   0.003% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.46 +/- 1.06   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  26.28 +/- 1.08   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  32.64 +/- 0.91   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  29.55 +/- 0.87   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  32.98 +/- 1.35   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  29.27 +/- 1.07   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.10 +/- 1.69   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  29.54 +/- 1.64   0.000% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.959, support = 3.16, residual support = 43.1:
    * O T HA    GLU- 114 - QB    GLU- 114   2.26 +/- 0.12  97.236% * 59.0968% (0.97  10.0 10.00   3.13  43.63) =  98.093%  kept
        T HA    LEU  115 - QB    GLU- 114   4.34 +/- 0.37   2.752% * 40.5940% (0.66   1.0 10.00   4.77  15.25) =   1.907%  kept
        T HA    ARG+  54 - QB    GLU- 114  14.16 +/- 0.75   0.002% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  10.97 +/- 0.89   0.010% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.30 +/- 1.16   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.48 +/- 1.05   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.55 +/- 1.28   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.40 +/- 1.13   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.62, residual support = 43.6:
    * O T QG    GLU- 114 - QB    GLU- 114   2.11 +/- 0.04  99.990% * 99.1187% (0.96  10.0 10.00   3.62  43.63) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  11.16 +/- 1.66   0.007% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.82 +/- 1.49   0.003% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.24 +/- 1.52   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  22.02 +/- 1.09   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  28.95 +/- 1.04   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  29.78 +/- 1.61   0.000% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.892, support = 3.73, residual support = 34.1:
    * O T HA    GLU- 114 - QG    GLU- 114   3.02 +/- 0.40  57.365% * 59.1519% (1.00  10.0 10.00   3.41  43.63) =  66.240%  kept
        T HA    LEU  115 - QG    GLU- 114   3.92 +/- 1.34  42.564% * 40.6319% (0.69   1.0 10.00   4.35  15.25) =  33.760%  kept
          HA    CYS   53 - QG    GLU- 114  10.35 +/- 1.46   0.060% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.50 +/- 1.45   0.009% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.32 +/- 1.39   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.30 +/- 1.32   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.30 +/- 1.45   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  25.01 +/- 1.41   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.959, support = 3.58, residual support = 43.0:
    * O T QB    GLU- 114 - QG    GLU- 114   2.11 +/- 0.04  68.766% * 94.8408% (0.96  10.0 10.00   3.62  43.63) =  98.507%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.85 +/- 0.96  25.979% *  3.8012% (0.72   1.0  1.00   1.07   2.57) =   1.492%  kept
          HB2   LEU  115 - QG    GLU- 114   4.08 +/- 1.31   5.253% *  0.0194% (0.20   1.0  1.00   0.02  15.25) =   0.002%
          HG3   PRO   58 - QG    GLU- 114  12.31 +/- 1.41   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  26.24 +/- 1.80   0.000% *  0.9296% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  19.52 +/- 1.68   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  20.04 +/- 1.35   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  20.32 +/- 1.64   0.000% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.49 +/- 1.14   0.000% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  20.35 +/- 1.33   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.86 +/- 1.45   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.61, support = 5.44, residual support = 183.4:
    * O T HB2   LEU  115 - HA    LEU  115   2.76 +/- 0.13  19.047% * 63.8902% (0.84  10.0 10.00   6.19 228.38) =  69.354%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.26 +/- 0.12  61.386% *  5.3954% (0.07  10.0 10.00   3.13  43.63) =  18.875%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.85 +/- 0.25  17.504% *  9.9598% (0.13  10.0  1.00   4.76 165.53) =   9.936%  kept
        T QB    GLU- 114 - HA    LEU  115   4.34 +/- 0.37   1.630% * 19.7195% (0.26   1.0 10.00   4.77  15.25) =   1.832%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.57 +/- 0.08   0.283% *  0.1748% (0.23   1.0 10.00   0.02  15.25) =   0.003%
          HG3   PRO   58 - HA    ARG+  54   6.59 +/- 0.89   0.131% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.62 +/- 0.85   0.004% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  11.24 +/- 1.37   0.006% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.16 +/- 0.75   0.001% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  14.00 +/- 1.59   0.001% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  15.57 +/- 1.56   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  14.08 +/- 1.16   0.001% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.65 +/- 1.12   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.59 +/- 0.91   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.07 +/- 1.60   0.000% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  19.23 +/- 1.25   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.69 +/- 1.65   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.11 +/- 0.87   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  19.29 +/- 1.13   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.48 +/- 0.94   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.12 +/- 1.51   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  23.30 +/- 1.33   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  21.20 +/- 1.62   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.43 +/- 0.98   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.332, support = 6.29, residual support = 228.4:
      O T HB3   LEU  115 - HA    LEU  115   2.23 +/- 0.05  92.971% * 25.2077% (0.26  10.0 10.00   6.29 228.38) =  84.162%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.59 +/- 0.35   6.225% * 70.8443% (0.72  10.0 10.00   6.27 228.38) =  15.836%  kept
        T HG    LEU  115 - HA    GLU- 114   6.74 +/- 0.67   0.167% *  0.1938% (0.20   1.0 10.00   0.02  15.25) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.40 +/- 0.12   0.165% *  0.0690% (0.07   1.0 10.00   0.02  15.25) =   0.000%
          QB    ALA  120 - HA    LEU  115   7.03 +/- 0.45   0.102% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.70 +/- 1.36   0.007% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   6.97 +/- 0.44   0.106% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   7.88 +/- 1.30   0.074% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  13.41 +/- 1.74   0.003% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.44 +/- 1.02   0.006% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   7.90 +/- 2.14   0.165% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.99 +/- 0.94   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  14.52 +/- 0.80   0.001% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.70 +/- 0.97   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  19.90 +/- 0.70   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  14.07 +/- 1.09   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.50 +/- 1.59   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.20 +/- 1.04   0.000% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  14.73 +/- 1.31   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  24.04 +/- 1.01   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.96 +/- 0.89   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.50 +/- 0.89   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.87 +/- 1.10   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  22.85 +/- 0.91   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  16.82 +/- 2.03   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.36 +/- 0.81   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  19.05 +/- 1.11   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  20.58 +/- 1.59   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.37 +/- 0.96   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  18.91 +/- 1.18   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.827, support = 6.16, residual support = 225.4:
    *   T QD1   LEU  115 - HA    LEU  115   3.92 +/- 0.18  93.663% * 78.0672% (0.84 10.00   6.19 228.38) =  98.607%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.62 +/- 0.63   4.808% * 21.3596% (0.23 10.00   4.45  15.25) =   1.385%  kept
        T QD1   LEU  115 - HA    ARG+  54   8.26 +/- 0.98   1.384% *  0.4377% (0.47 10.00   0.02   0.02) =   0.008%
          QG1   VAL   75 - HA    LEU  115  13.83 +/- 0.98   0.053% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    ARG+  54  12.98 +/- 0.68   0.077% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  16.82 +/- 1.01   0.016% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.798, support = 7.39, residual support = 225.5:
    *   T QD2   LEU  115 - HA    LEU  115   3.21 +/- 0.43  83.976% * 77.6784% (0.81 10.00   7.43 228.38) =  98.639%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.67 +/- 0.42   4.199% * 21.2532% (0.22 10.00   4.44  15.25) =   1.350%  kept
          QD1   LEU   63 - HA    LEU  115   5.36 +/- 0.89   7.623% *  0.0761% (0.79  1.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - HA    LEU  115   6.35 +/- 1.14   3.401% *  0.0302% (0.31  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HA    ARG+  54  10.15 +/- 0.98   0.103% *  0.4355% (0.45 10.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   8.90 +/- 0.87   0.281% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  11.57 +/- 0.77   0.049% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.29 +/- 0.95   0.062% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.47 +/- 1.09   0.205% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.33 +/- 0.53   0.008% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.88 +/- 1.15   0.031% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  12.69 +/- 1.01   0.031% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  17.70 +/- 1.94   0.004% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  16.59 +/- 1.12   0.005% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  17.51 +/- 0.72   0.004% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  16.82 +/- 1.08   0.005% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.45 +/- 0.68   0.003% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.57 +/- 0.85   0.004% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.56 +/- 0.84   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.69 +/- 1.97   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.40 +/- 1.48   0.002% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 228.4:
    * O T HA    LEU  115 - HB2   LEU  115   2.76 +/- 0.13  98.443% * 98.0930% (0.84  10.0 10.00   6.19 228.38) =  99.993%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.57 +/- 0.08   1.532% *  0.4006% (0.34   1.0 10.00   0.02  15.25) =   0.006%
        T HA    ARG+  54 - HB2   LEU  115  11.62 +/- 0.85   0.022% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.86 +/- 0.52   0.001% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  21.83 +/- 1.74   0.001% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.48 +/- 0.87   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.42 +/- 0.91   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  24.19 +/- 0.80   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  30.33 +/- 0.81   0.000% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1463 (1.98, 1.98, 42.01 ppm):
    1 diagonal assignment:
    *     HB2   LEU  115 - HB2   LEU  115  (1.00)  kept
 
    Peak 1464 (1.48, 1.98, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.419, support = 6.13, residual support = 228.4:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  91.970% * 25.8976% (0.31  10.0 10.00   6.11 228.38) =  80.323%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.71 +/- 0.28   8.017% * 72.7830% (0.87  10.0 10.00   6.22 228.38) =  19.677%  kept
          QB    ALA  120 - HB2   LEU  115   8.25 +/- 0.50   0.009% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  18.30 +/- 1.14   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.31 +/- 1.40   0.003% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  16.86 +/- 0.96   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.14 +/- 1.61   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.15 +/- 1.06   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  17.36 +/- 0.87   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.75 +/- 0.79   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 228.4:
    * O T QD1   LEU  115 - HB2   LEU  115   2.41 +/- 0.18  99.997% * 99.9055% (1.00  10.0 10.00   6.00 228.38) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.21 +/- 1.02   0.003% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.4:
    * O T QD2   LEU  115 - HB2   LEU  115   2.78 +/- 0.47  98.710% * 99.5578% (0.97  10.0 10.00   7.24 228.38) =  99.999%  kept
          QD1   LEU   63 - HB2   LEU  115   6.66 +/- 0.89   0.950% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   LEU  115   7.84 +/- 1.05   0.321% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  13.74 +/- 0.81   0.010% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.58 +/- 0.75   0.004% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.25 +/- 1.77   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  17.60 +/- 1.07   0.002% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.26, residual support = 228.3:
    * O T HA    LEU  115 - HG    LEU  115   3.59 +/- 0.35  95.267% * 97.1402% (0.72  10.0 10.00   6.27 228.38) =  99.984%  kept
        T HA    GLU- 114 - HG    LEU  115   6.74 +/- 0.67   3.221% *  0.3967% (0.30   1.0 10.00   0.02  15.25) =   0.014%
        T HA    ARG+  54 - HG    LEU  115  11.70 +/- 1.36   0.179% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HG    LEU   40   8.82 +/- 0.54   0.485% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   8.91 +/- 0.99   0.599% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  14.52 +/- 0.80   0.026% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  13.28 +/- 2.26   0.141% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.20 +/- 1.04   0.009% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.36 +/- 1.17   0.011% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.50 +/- 1.07   0.024% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  22.85 +/- 0.91   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.24 +/- 0.38   0.027% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  22.97 +/- 2.14   0.003% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  24.70 +/- 1.37   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.65 +/- 1.26   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.61 +/- 0.99   0.002% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.81 +/- 0.96   0.002% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.85 +/- 1.24   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.22, residual support = 228.4:
    * O T HB2   LEU  115 - HG    LEU  115   2.71 +/- 0.28  98.627% * 98.2266% (0.87  10.0 10.00   6.22 228.38) =  99.999%  kept
        T HB2   LEU   67 - HG    LEU   40   7.98 +/- 1.78   0.338% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU  115   6.33 +/- 0.63   0.716% *  0.0303% (0.27   1.0  1.00   0.02  15.25) =   0.000%
          HG3   PRO   58 - HG    LEU  115   8.50 +/- 1.16   0.196% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.25 +/- 1.85   0.009% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  11.30 +/- 2.16   0.060% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  16.86 +/- 0.96   0.002% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.85 +/- 1.30   0.012% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  15.16 +/- 1.65   0.006% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.68 +/- 1.92   0.011% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.31 +/- 1.12   0.015% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.92 +/- 1.97   0.002% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.51 +/- 1.09   0.004% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.49 +/- 1.53   0.001% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.77 +/- 0.79   0.001% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  25.08 +/- 0.75   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.08, residual support = 228.4:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.01  99.996% * 99.5358% (0.87  10.0 10.00   6.08 228.38) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  14.34 +/- 0.86   0.001% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  14.83 +/- 1.49   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.87 +/- 0.86   0.001% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.29, residual support = 228.4:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.01  97.121% * 99.0740% (0.84  10.0 10.00   7.29 228.38) =  99.999%  kept
          QD1   LEU  104 - HG    LEU   40   4.66 +/- 1.09   2.101% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU  115   6.06 +/- 1.16   0.369% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   6.91 +/- 1.49   0.258% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   8.19 +/- 0.89   0.034% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.45 +/- 1.11   0.032% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.45 +/- 1.21   0.079% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  13.54 +/- 1.38   0.002% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.59 +/- 1.01   0.002% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  16.49 +/- 1.02   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.71 +/- 2.34   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.30 +/- 1.80   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  14.21 +/- 1.29   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  18.27 +/- 1.34   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.825, support = 6.15, residual support = 224.0:
    *   T HA    LEU  115 - QD1   LEU  115   3.92 +/- 0.18  93.741% * 70.2377% (0.84 10.00   6.19 228.38) =  97.931%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.62 +/- 0.63   4.812% * 28.6837% (0.34 10.00   4.45  15.25) =   2.053%  kept
        T HA    ARG+  54 - QD1   LEU  115   8.26 +/- 0.98   1.385% *  0.7762% (0.92 10.00   0.02   0.02) =   0.016%
          HA    ALA  124 - QD1   LEU  115  14.81 +/- 0.74   0.034% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  18.52 +/- 1.53   0.010% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.64 +/- 0.85   0.005% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  20.17 +/- 0.81   0.005% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  19.52 +/- 0.83   0.007% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  25.43 +/- 0.82   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 228.4:
    * O T HB2   LEU  115 - QD1   LEU  115   2.41 +/- 0.18  97.765% * 99.6279% (1.00  10.0 10.00   6.00 228.38) =  99.998%  kept
          HG3   PRO   58 - QD1   LEU  115   5.82 +/- 1.30   1.591% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QB    GLU- 114 - QD1   LEU  115   5.83 +/- 0.55   0.577% *  0.0307% (0.31   1.0  1.00   0.02  15.25) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.18 +/- 1.02   0.049% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.26 +/- 1.26   0.007% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  12.20 +/- 1.29   0.008% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.47 +/- 1.33   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  16.08 +/- 0.89   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.776, support = 6.09, residual support = 228.4:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.01  64.548% * 72.7830% (0.87  10.0 10.00   6.08 228.38) =  83.679%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.40 +/- 0.36  35.383% * 25.8976% (0.31  10.0 10.00   6.11 228.38) =  16.321%  kept
          QB    ALA  120 - QD1   LEU  115   7.16 +/- 0.64   0.052% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  15.41 +/- 1.20   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  14.34 +/- 0.86   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.76 +/- 1.03   0.009% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  11.95 +/- 1.30   0.003% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  10.96 +/- 1.15   0.004% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.72 +/- 0.87   0.001% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.88 +/- 0.81   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.4:
    * O T QD2   LEU  115 - QD1   LEU  115   2.00 +/- 0.05  99.060% * 99.5578% (0.97  10.0 10.00   7.24 228.38) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.24 +/- 0.91   0.640% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   6.21 +/- 1.07   0.296% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.26 +/- 0.78   0.002% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.78 +/- 0.72   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.25 +/- 1.56   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  15.05 +/- 0.97   0.001% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.796, support = 7.37, residual support = 223.8:
    *   T HA    LEU  115 - QD2   LEU  115   3.21 +/- 0.43  94.776% * 70.2377% (0.81 10.00   7.43 228.38) =  97.861%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.67 +/- 0.42   5.068% * 28.6837% (0.33 10.00   4.44  15.25) =   2.137%  kept
        T HA    ARG+  54 - QD2   LEU  115  10.15 +/- 0.98   0.124% *  0.7762% (0.89 10.00   0.02   0.02) =   0.001%
          HA    ALA  124 - QD2   LEU  115  13.09 +/- 0.58   0.024% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.74 +/- 1.54   0.002% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.92 +/- 1.52   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  20.90 +/- 1.59   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  19.75 +/- 2.01   0.002% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  24.90 +/- 1.49   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.4:
    * O T HB2   LEU  115 - QD2   LEU  115   2.78 +/- 0.47  97.359% * 99.6279% (0.97  10.0 10.00   7.24 228.38) =  99.999%  kept
          HG3   PRO   58 - QD2   LEU  115   7.08 +/- 1.01   0.687% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD2   LEU  115   5.59 +/- 0.41   1.828% *  0.0307% (0.30   1.0  1.00   0.02  15.25) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  11.72 +/- 1.46   0.047% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  12.76 +/- 1.50   0.026% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  11.09 +/- 1.02   0.038% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.64 +/- 1.24   0.009% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.41 +/- 1.54   0.005% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.792, support = 7.29, residual support = 228.4:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.01  79.466% * 72.7830% (0.84  10.0 10.00   7.29 228.38) =  91.700%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.75 +/- 0.40  20.214% * 25.8976% (0.30  10.0 10.00   7.31 228.38) =   8.300%  kept
          QB    ALA  120 - QD2   LEU  115   5.50 +/- 0.57   0.280% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  14.54 +/- 1.52   0.001% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.27 +/- 1.22   0.028% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  13.54 +/- 1.38   0.001% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.29 +/- 1.83   0.005% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.06 +/- 0.90   0.004% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  14.62 +/- 1.67   0.001% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  17.33 +/- 1.37   0.000% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.4:
    * O T QD1   LEU  115 - QD2   LEU  115   2.00 +/- 0.05  99.998% * 99.9055% (0.97  10.0 10.00   7.24 228.38) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  12.79 +/- 1.50   0.002% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.2:
    * O T HB2   GLN  116 - HA    GLN  116   2.90 +/- 0.10  99.860% * 98.6426% (1.00  10.0 10.00   5.31 115.15) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   9.43 +/- 1.30   0.120% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  12.43 +/- 1.09   0.020% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  22.18 +/- 0.97   0.001% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  26.79 +/- 0.79   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  24.47 +/- 1.34   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 115.2:
    * O T HG2   GLN  116 - HA    GLN  116   2.47 +/- 0.47  99.953% * 99.8732% (1.00  10.0 10.00   4.94 115.15) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116   9.99 +/- 1.01   0.047% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  31.48 +/- 1.01   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.2:
    * O T HA    GLN  116 - HB2   GLN  116   2.90 +/- 0.10  99.996% * 98.1197% (1.00  10.0 10.00   5.31 115.15) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  20.19 +/- 1.08   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  19.32 +/- 1.10   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.44 +/- 0.84   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  31.45 +/- 0.91   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  20.25 +/- 1.13   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  23.21 +/- 1.56   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.48 +/- 1.01   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  30.09 +/- 1.12   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1486 (2.37, 2.37, 29.51 ppm):
    1 diagonal assignment:
    *     HB2   GLN  116 - HB2   GLN  116  (1.00)  kept
 
    Peak 1487 (2.54, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 115.2:
    * O T HG2   GLN  116 - HB2   GLN  116   2.62 +/- 0.14  99.984% * 99.8732% (1.00  10.0 10.00   5.52 115.15) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.57 +/- 0.85   0.016% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  33.43 +/- 0.99   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 115.2:
    * O T HA    GLN  116 - HG2   GLN  116   2.47 +/- 0.47  99.997% * 99.5202% (1.00  10.0 10.00   4.94 115.15) = 100.000%  kept
          HA    VAL   18 - HG2   GLN  116  17.98 +/- 1.34   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLN  116  19.22 +/- 1.62   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  18.71 +/- 1.63   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.59 +/- 1.86   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  26.61 +/- 1.53   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  29.66 +/- 1.32   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  30.79 +/- 1.33   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  29.96 +/- 1.25   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 115.2:
    * O T HB2   GLN  116 - HG2   GLN  116   2.62 +/- 0.14  99.893% * 99.6852% (1.00  10.0 10.00   5.52 115.15) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   9.03 +/- 1.48   0.101% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  14.42 +/- 1.30   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  24.20 +/- 1.33   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  25.24 +/- 1.57   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.37 +/- 1.06   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 1.52, residual support = 15.9:
    * O T QB    SER  117 - HA    SER  117   2.45 +/- 0.08  98.257% * 98.0631% (1.00  10.0 10.00   1.52  15.91) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   5.62 +/- 0.67   0.855% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    SER  117   5.45 +/- 0.26   0.882% *  0.0403% (0.41   1.0  1.00   0.02   6.28) =   0.000%
          HA    PHE   60 - HA    SER  117  12.89 +/- 0.79   0.005% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.77 +/- 1.48   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  24.36 +/- 1.29   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  17.18 +/- 0.91   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  25.22 +/- 1.22   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.05 +/- 1.17   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.52, residual support = 15.9:
    * O T HA    SER  117 - QB    SER  117   2.45 +/- 0.08  99.922% * 99.1287% (1.00  10.0 10.00   1.52  15.91) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.57 +/- 0.50   0.059% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.76 +/- 0.89   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.25 +/- 1.01   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.32 +/- 1.35   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.33 +/- 0.64   0.007% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  24.36 +/- 1.29   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.35 +/- 0.81   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.55 +/- 0.58   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  25.22 +/- 1.22   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.60 +/- 0.96   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  25.55 +/- 0.70   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  19.73 +/- 0.69   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.31 +/- 0.66   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  24.71 +/- 0.47   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.62, residual support = 255.5:
    * O T HB    ILE  119 - HA    ILE  119   3.01 +/- 0.01  99.907% * 99.2403% (0.87  10.0 10.00   6.62 255.51) = 100.000%  kept
          HB2   LYS+ 111 - HA    ILE  119  12.00 +/- 0.85   0.027% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE  119  13.67 +/- 1.47   0.014% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  13.27 +/- 0.92   0.015% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  13.17 +/- 1.38   0.018% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  15.56 +/- 0.93   0.006% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  18.10 +/- 1.41   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.02 +/- 1.44   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  19.02 +/- 0.88   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  18.44 +/- 1.10   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  20.64 +/- 1.30   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  27.00 +/- 0.70   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 255.5:
    * O T QG2   ILE  119 - HA    ILE  119   2.45 +/- 0.08  98.495% * 99.7168% (1.00  10.0 10.00   6.94 255.51) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   6.43 +/- 2.15   1.385% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   8.33 +/- 0.99   0.089% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  10.47 +/- 0.90   0.020% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  12.83 +/- 1.05   0.006% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  13.58 +/- 0.57   0.004% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.41 +/- 1.03   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.8, residual support = 255.5:
    * O T HG12  ILE  119 - HA    ILE  119   2.89 +/- 0.17  99.119% * 99.4466% (1.00  10.0 10.00   6.80 255.51) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   6.92 +/- 1.01   0.818% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  11.73 +/- 0.86   0.031% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  11.91 +/- 0.54   0.023% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  15.90 +/- 1.20   0.004% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.42 +/- 0.93   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  19.69 +/- 1.17   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  19.62 +/- 1.17   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  24.99 +/- 0.93   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  21.98 +/- 1.14   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  25.57 +/- 1.69   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 255.5:
    * O T HG13  ILE  119 - HA    ILE  119   2.73 +/- 0.43  93.569% * 99.6771% (1.00  10.0 10.00   6.04 255.51) =  99.999%  kept
          QG1   VAL  107 - HA    ILE  119   5.29 +/- 0.76   5.190% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    ILE  119   7.00 +/- 0.63   0.619% *  0.0308% (0.31   1.0  1.00   0.02   2.92) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.08 +/- 0.73   0.594% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  12.21 +/- 1.68   0.024% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  16.93 +/- 1.11   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  19.71 +/- 1.16   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  20.26 +/- 1.78   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.04, residual support = 255.5:
    *   T QD1   ILE  119 - HA    ILE  119   3.60 +/- 0.54  99.288% * 99.2846% (0.97 10.00   6.04 255.51) =  99.999%  kept
          HB2   LEU  104 - HA    ILE  119   9.26 +/- 1.06   0.541% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  10.95 +/- 0.78   0.156% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  16.29 +/- 0.85   0.015% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.53 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.58, residual support = 251.4:
    * O T HA    ILE  119 - HB    ILE  119   3.01 +/- 0.01  98.070% * 50.8167% (0.87  10.0 10.00   6.62 255.51) =  98.147%  kept
        T HA    THR  118 - HB    ILE  119   5.81 +/- 0.09   1.918% * 49.0416% (0.84   1.0 10.00   4.76  35.96) =   1.853%  kept
          HA2   GLY  109 - HB    ILE  119  14.69 +/- 1.25   0.009% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  21.45 +/- 1.14   0.001% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.26 +/- 1.12   0.000% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  19.80 +/- 0.72   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 255.5:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  99.919% * 99.7168% (0.87  10.0 10.00   6.31 255.51) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   8.23 +/- 2.03   0.069% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  10.75 +/- 1.01   0.007% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.77 +/- 1.08   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.36 +/- 0.84   0.003% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  15.41 +/- 0.83   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.35 +/- 1.13   0.000% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.9, residual support = 255.5:
    * O T HG12  ILE  119 - HB    ILE  119   2.52 +/- 0.10  99.922% * 99.4466% (0.87  10.0 10.00   5.90 255.51) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   8.80 +/- 0.91   0.066% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  12.94 +/- 0.90   0.006% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  13.66 +/- 0.66   0.004% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.84 +/- 1.11   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  17.52 +/- 1.36   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  20.26 +/- 1.15   0.000% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  20.93 +/- 1.26   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.24 +/- 1.16   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  22.87 +/- 1.25   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  27.05 +/- 1.66   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 255.5:
    * O T HG13  ILE  119 - HB    ILE  119   2.92 +/- 0.26  95.417% * 99.4020% (0.87  10.0 10.00   5.44 255.51) =  99.993%  kept
        T QG1   VAL  107 - HB    ILE  119   5.50 +/- 0.89   3.267% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.005%
        T QG2   VAL  107 - HB    ILE  119   6.77 +/- 1.09   0.917% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119   9.67 +/- 1.88   0.177% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.33 +/- 0.53   0.218% *  0.0307% (0.27   1.0  1.00   0.02   2.92) =   0.000%
          QB    ALA   20 - HB    ILE  119  17.92 +/- 1.23   0.002% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  22.38 +/- 1.21   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  21.79 +/- 1.78   0.001% *  0.0409% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 255.5:
    * O T QD1   ILE  119 - HB    ILE  119   2.43 +/- 0.30  99.971% * 99.2846% (0.84  10.0 10.00   5.44 255.51) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.48 +/- 0.88   0.016% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  11.94 +/- 0.93   0.011% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  17.67 +/- 0.96   0.001% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 255.5:
    * O T HA    ILE  119 - QG2   ILE  119   2.45 +/- 0.08  99.567% * 98.7713% (1.00  10.0 10.00   6.94 255.51) =  99.996%  kept
        T HA    THR  118 - QG2   ILE  119   6.10 +/- 0.03   0.426% *  0.9532% (0.97   1.0 10.00   0.02  35.96) =   0.004%
          HA2   GLY  109 - QG2   ILE  119  13.69 +/- 1.01   0.004% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  18.16 +/- 1.00   0.001% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  19.84 +/- 0.97   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  16.05 +/- 0.72   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 255.5:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  99.971% * 99.2403% (0.87  10.0 10.00   6.31 255.51) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  10.66 +/- 1.11   0.007% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  10.70 +/- 0.71   0.006% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.68 +/- 0.97   0.002% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  11.42 +/- 0.99   0.005% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  12.49 +/- 1.23   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  12.69 +/- 1.02   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.46 +/- 0.97   0.001% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  16.80 +/- 1.36   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  16.72 +/- 1.17   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  17.87 +/- 1.48   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  23.33 +/- 0.83   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 255.5:
    * O T HG12  ILE  119 - QG2   ILE  119   3.21 +/- 0.04  99.266% * 99.4466% (1.00  10.0 10.00   6.21 255.51) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   8.19 +/- 0.82   0.447% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  10.03 +/- 0.68   0.119% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  10.19 +/- 0.88   0.115% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  12.97 +/- 1.22   0.028% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  15.85 +/- 1.10   0.008% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  15.92 +/- 0.82   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  17.45 +/- 0.92   0.004% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  21.70 +/- 1.19   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  18.71 +/- 1.13   0.003% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  20.84 +/- 1.43   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 255.5:
    * O T HG13  ILE  119 - QG2   ILE  119   2.42 +/- 0.16  98.699% * 99.6771% (1.00  10.0 10.00   5.75 255.51) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   5.78 +/- 0.68   0.785% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   6.79 +/- 0.81   0.315% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   9.28 +/- 1.77   0.077% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.59 +/- 0.47   0.121% *  0.0308% (0.31   1.0  1.00   0.02   2.92) =   0.000%
          QB    ALA   20 - QG2   ILE  119  14.00 +/- 1.09   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  17.91 +/- 1.19   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  17.82 +/- 1.42   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 255.5:
    *   T QD1   ILE  119 - QG2   ILE  119   2.00 +/- 0.15  99.986% * 99.8078% (0.97 10.00   5.75 255.51) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.01 +/- 0.94   0.008% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  10.57 +/- 0.74   0.005% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  14.44 +/- 0.89   0.001% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.76, residual support = 249.1:
    * O T HA    ILE  119 - HG12  ILE  119   2.89 +/- 0.17  96.960% * 50.8167% (1.00  10.0 10.00   6.80 255.51) =  97.080%  kept
        T HA    THR  118 - HG12  ILE  119   5.21 +/- 0.16   3.022% * 49.0416% (0.97   1.0 10.00   5.46  35.96) =   2.920%  kept
          HA2   GLY  109 - HG12  ILE  119  12.88 +/- 1.13   0.015% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  19.01 +/- 1.08   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.48 +/- 1.14   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  17.63 +/- 0.61   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.9, residual support = 255.5:
    * O T HB    ILE  119 - HG12  ILE  119   2.52 +/- 0.10  99.916% * 98.6651% (0.87  10.0 10.00   5.90 255.51) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119   9.64 +/- 0.78   0.038% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.86 +/- 1.08   0.002% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  11.60 +/- 1.15   0.013% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  10.76 +/- 1.34   0.025% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  15.55 +/- 1.35   0.002% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  16.40 +/- 1.38   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  16.90 +/- 1.00   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  20.14 +/- 1.41   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  19.75 +/- 0.94   0.000% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  21.23 +/- 1.44   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  26.85 +/- 0.89   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 255.5:
    * O T QG2   ILE  119 - HG12  ILE  119   3.21 +/- 0.04  98.708% * 99.7168% (1.00  10.0 10.00   6.21 255.51) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   7.99 +/- 1.96   1.027% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119   9.90 +/- 1.07   0.147% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  13.19 +/- 1.19   0.025% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  10.95 +/- 0.89   0.073% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  14.64 +/- 0.75   0.012% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.62 +/- 1.00   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.29 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 255.5:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  95.853% * 99.6771% (1.00  10.0 10.00   5.44 255.51) =  99.999%  kept
          QG1   VAL  107 - HG12  ILE  119   3.76 +/- 0.92   3.773% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL  107 - HG12  ILE  119   5.05 +/- 0.96   0.361% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   9.78 +/- 1.56   0.005% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.72 +/- 0.59   0.007% *  0.0308% (0.31   1.0  1.00   0.02   2.92) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.62 +/- 1.17   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  20.68 +/- 1.23   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  19.94 +/- 1.81   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.44, residual support = 255.5:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.977% * 99.8078% (0.97  10.0 10.00   5.44 255.51) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.67 +/- 0.92   0.015% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  10.78 +/- 0.99   0.007% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  15.40 +/- 0.87   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 253.5:
    * O T HA    ILE  119 - HG13  ILE  119   2.73 +/- 0.43  99.019% * 50.8167% (1.00  10.0 10.00   6.04 255.51) =  99.075%  kept
        T HA    THR  118 - HG13  ILE  119   6.26 +/- 0.29   0.958% * 49.0416% (0.97   1.0 10.00   4.52  35.96) =   0.925%  kept
          HA2   GLY  109 - HG13  ILE  119  13.96 +/- 1.25   0.019% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  19.11 +/- 1.17   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.66 +/- 1.11   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  17.10 +/- 0.95   0.002% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 255.5:
    * O T HB    ILE  119 - HG13  ILE  119   2.92 +/- 0.26  99.867% * 99.2403% (0.87  10.0 10.00   5.44 255.51) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  11.02 +/- 1.13   0.038% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  12.52 +/- 1.20   0.019% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  11.18 +/- 1.21   0.043% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  14.17 +/- 1.47   0.011% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  14.98 +/- 1.53   0.008% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.92 +/- 1.03   0.005% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  15.64 +/- 1.33   0.006% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  18.83 +/- 1.31   0.002% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  19.68 +/- 1.45   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  20.24 +/- 1.79   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  26.16 +/- 1.11   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 255.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.42 +/- 0.16  99.420% * 99.7168% (1.00  10.0 10.00   5.75 255.51) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   7.00 +/- 1.94   0.510% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119   9.37 +/- 1.37   0.048% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.38 +/- 1.25   0.004% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  11.30 +/- 0.99   0.012% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  13.58 +/- 0.95   0.003% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  14.73 +/- 1.28   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 255.5:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.980% * 99.4466% (1.00  10.0 10.00   5.44 255.51) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   8.15 +/- 1.08   0.014% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  10.24 +/- 1.20   0.003% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  11.16 +/- 1.06   0.002% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  15.98 +/- 1.45   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.59 +/- 0.94   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  18.47 +/- 1.19   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  19.14 +/- 1.49   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  24.65 +/- 1.53   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.26 +/- 1.41   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  25.63 +/- 1.85   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 255.5:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.982% * 99.8078% (0.97  10.0 10.00   5.00 255.51) = 100.000%  kept
          HB2   LEU  104 - HG13  ILE  119  10.89 +/- 1.18   0.008% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  10.46 +/- 0.96   0.009% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  15.00 +/- 1.06   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.02, residual support = 253.4:
    *   T HA    ILE  119 - QD1   ILE  119   3.60 +/- 0.54  95.652% * 81.8045% (0.97 10.00   6.04 255.51) =  99.060%  kept
          HA    THR  118 - QD1   ILE  119   6.25 +/- 0.24   4.161% * 17.8384% (0.93  1.00   4.52  35.96) =   0.940%  kept
          HA2   GLY  109 - QD1   ILE  119  11.29 +/- 1.11   0.136% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  14.64 +/- 0.81   0.026% *  0.1433% (0.17 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  16.30 +/- 1.16   0.013% *  0.0734% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.26 +/- 1.09   0.011% *  0.0811% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 255.5:
    * O T HB    ILE  119 - QD1   ILE  119   2.43 +/- 0.30  99.794% * 98.5836% (0.84  10.0 10.00   5.44 255.51) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  10.71 +/- 1.29   0.045% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   8.66 +/- 0.69   0.066% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   8.89 +/- 1.06   0.060% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  12.50 +/- 1.10   0.008% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  12.09 +/- 1.21   0.008% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  12.71 +/- 1.21   0.007% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  13.72 +/- 1.10   0.005% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  17.90 +/- 1.80   0.002% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  16.67 +/- 1.35   0.002% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  17.74 +/- 1.60   0.001% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  22.45 +/- 1.07   0.000% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 255.5:
    *   T QG2   ILE  119 - QD1   ILE  119   2.00 +/- 0.15  99.618% * 99.7168% (0.97 10.00   5.75 255.51) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   6.75 +/- 1.62   0.347% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.03 +/- 1.29   0.020% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  12.15 +/- 1.37   0.003% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  12.10 +/- 1.11   0.003% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  10.45 +/- 1.13   0.007% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.41 +/- 0.95   0.002% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.44, residual support = 255.5:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.894% * 99.4466% (0.97  10.0 10.00   5.44 255.51) = 100.000%  kept
          HB2   ASP- 105 - QD1   ILE  119   7.96 +/- 1.07   0.064% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119   8.91 +/- 0.88   0.024% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  10.02 +/- 0.87   0.012% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.29 +/- 0.96   0.002% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  13.98 +/- 1.33   0.002% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  15.48 +/- 0.88   0.001% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  16.37 +/- 1.10   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.43 +/- 1.41   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.97 +/- 1.11   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  21.85 +/- 1.41   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 255.5:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  95.648% * 99.6771% (0.97  10.0 10.00   5.00 255.51) =  99.999%  kept
          QG1   VAL  107 - QD1   ILE  119   4.38 +/- 0.80   2.744% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   4.86 +/- 0.95   1.435% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   7.46 +/- 1.73   0.148% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   8.82 +/- 0.59   0.022% *  0.0308% (0.30   1.0  1.00   0.02   2.92) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.32 +/- 1.02   0.002% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  17.95 +/- 1.54   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  16.87 +/- 1.51   0.000% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.46, residual support = 14.4:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.815% * 99.2082% (0.95  10.0 10.00   2.46  14.36) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.64 +/- 0.55   0.129% *  0.1618% (0.15   1.0 10.00   0.02   2.14) =   0.000%
          HG    LEU  115 - HA    ALA  120   9.18 +/- 1.13   0.021% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  10.35 +/- 2.51   0.018% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  13.77 +/- 1.57   0.002% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.16 +/- 0.77   0.010% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  13.83 +/- 1.48   0.002% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.20 +/- 1.55   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.99 +/- 0.84   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.00 +/- 0.65   0.000% *  0.0262% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.46, residual support = 14.4:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  95.902% * 99.3786% (0.95  10.0 10.00   2.46  14.36) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.89 +/- 0.02   2.675% *  0.0759% (0.72   1.0  1.00   0.02   2.14) =   0.002%
          QB    SER  117 - QB    ALA  120   4.37 +/- 0.22   1.418% *  0.0409% (0.39   1.0  1.00   0.02   6.28) =   0.001%
          HA    LYS+  65 - QB    ALA  120  12.84 +/- 0.87   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  15.89 +/- 1.00   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.86 +/- 0.57   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  20.17 +/- 0.93   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  21.36 +/- 0.73   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.45 +/- 0.88   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.89 +/- 0.93   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.951, support = 8.13, residual support = 308.2:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.92 +/- 0.06  52.269% * 91.1605% (1.00  10.0 10.00   8.31 316.18) =  94.793%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.06 +/- 0.64  45.748% *  5.7090% (0.06   1.0 10.00   4.75 163.49) =   5.196%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.22 +/- 0.51   1.937% *  0.2814% (0.31   1.0 10.00   0.02   2.29) =   0.011%
        T QD    LYS+ 102 - HA    LYS+ 121  15.38 +/- 1.99   0.004% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.37 +/- 1.15   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.68 +/- 1.50   0.001% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.22 +/- 1.11   0.002% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.63 +/- 1.29   0.002% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.71 +/- 0.99   0.006% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  17.09 +/- 0.82   0.001% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.25 +/- 1.04   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  18.32 +/- 1.63   0.001% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.44 +/- 0.65   0.016% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.99 +/- 1.03   0.008% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.15 +/- 1.42   0.000% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  25.32 +/- 1.15   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.55 +/- 1.36   0.000% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.99 +/- 1.49   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  19.15 +/- 1.49   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  22.53 +/- 0.87   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.36, residual support = 316.2:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.37 +/- 0.50  99.829% * 99.6412% (1.00  10.0 10.00   7.36 316.18) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.26 +/- 0.40   0.038% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.88 +/- 0.20   0.072% *  0.0308% (0.31   1.0  1.00   0.02   2.92) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.40 +/- 1.57   0.004% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  14.70 +/- 1.24   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.00 +/- 0.97   0.015% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  10.91 +/- 1.43   0.030% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.60 +/- 1.02   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.00 +/- 0.91   0.005% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.16 +/- 1.19   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.22 +/- 1.53   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.05 +/- 0.90   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 316.2:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.23 +/- 0.41  98.466% * 99.4380% (1.00  10.0 10.00   6.77 316.18) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.05 +/- 0.26   1.141% *  0.0484% (0.49   1.0  1.00   0.02   2.29) =   0.001%
        T QD2   LEU   73 - HA    LYS+  65  10.66 +/- 0.59   0.105% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  16.41 +/- 0.91   0.007% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+ 121  12.68 +/- 0.71   0.033% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65   9.80 +/- 1.11   0.214% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  17.83 +/- 1.51   0.005% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  13.04 +/- 0.37   0.027% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  22.20 +/- 1.18   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.32 +/- 1.00   0.003% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.465, support = 7.8, residual support = 302.0:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.63 +/- 0.24  54.747% * 21.3664% (0.31  10.0 10.00   8.24 316.18) =  64.986%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.91 +/- 0.46   6.716% * 69.2258% (1.00   1.0 10.00   7.61 316.18) =  25.827%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.42  38.053% *  4.3065% (0.06  10.0 10.00   5.27 163.49) =   9.104%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.00 +/- 0.39   0.425% *  3.4792% (0.05   1.0 10.00   5.46  25.06) =   0.082%
        T QD    LYS+  66 - HA    LYS+ 121  10.75 +/- 1.54   0.018% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  17.14 +/- 1.32   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.83 +/- 1.03   0.015% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.81 +/- 1.17   0.006% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.45 +/- 1.83   0.001% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.65 +/- 0.88   0.005% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.12 +/- 0.90   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.36 +/- 1.13   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.35 +/- 1.48   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.38 +/- 0.86   0.004% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.45 +/- 0.53   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.39 +/- 1.05   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.90 +/- 0.93   0.002% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.08 +/- 1.03   0.004% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.94 +/- 1.58   0.001% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.67 +/- 1.52   0.000% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 6.61, residual support = 283.5:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.25 +/- 0.63  83.250% * 57.9555% (1.00   6.72 316.18) =  87.670%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.74 +/- 0.15  16.238% * 41.7884% (0.84   5.80  51.00) =  12.330%  kept
          HB3   HIS  122 - HA    LYS+  65  11.52 +/- 1.76   0.417% *  0.0090% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  16.20 +/- 1.95   0.056% *  0.0108% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  24.89 +/- 0.71   0.002% *  0.1184% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  16.90 +/- 1.02   0.028% *  0.0074% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  27.40 +/- 0.94   0.001% *  0.0773% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  30.19 +/- 1.29   0.001% *  0.0266% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  23.60 +/- 1.06   0.004% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  23.63 +/- 0.71   0.003% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.31, residual support = 316.2:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.92 +/- 0.06  94.490% * 99.1042% (1.00  10.0 10.00   8.31 316.18) =  99.995%  kept
          QB    SER  117 - HB2   LYS+ 121   5.34 +/- 0.82   3.522% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - HB2   LYS+ 121   5.61 +/- 0.24   1.953% *  0.0757% (0.76   1.0  1.00   0.02   2.14) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  15.63 +/- 1.29   0.004% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.89 +/- 1.02   0.024% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.90 +/- 0.91   0.004% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.39 +/- 1.44   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  24.11 +/- 1.09   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  24.36 +/- 1.18   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  23.30 +/- 1.22   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.79, residual support = 316.2:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.88 +/- 0.13  99.255% * 99.7211% (1.00  10.0 10.00   7.79 316.18) = 100.000%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.19 +/- 0.51   0.207% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.08 +/- 0.51   0.519% *  0.0308% (0.31   1.0  1.00   0.02   2.92) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  12.47 +/- 1.06   0.018% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.84 +/- 1.14   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.26 +/- 1.31   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 316.2:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.81 +/- 0.18  99.758% * 99.0974% (1.00  10.0 10.00   7.21 316.18) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   8.01 +/- 0.18   0.200% *  0.4824% (0.49   1.0 10.00   0.02   2.29) =   0.001%
        T QD2   LEU   73 - HB2   LYS+ 121  14.76 +/- 1.07   0.006% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB2   LYS+ 121  11.07 +/- 0.98   0.035% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.08 +/- 1.26   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.637, support = 8.47, residual support = 316.2:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  78.210% * 23.0703% (0.31  10.0 10.00   8.82 316.18) =  52.569%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.27 +/- 0.43  21.780% * 74.7463% (1.00  10.0 10.00   8.08 316.18) =  47.431%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.77 +/- 1.76   0.002% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.42 +/- 1.13   0.005% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.08 +/- 1.36   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  20.07 +/- 1.12   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.90 +/- 1.23   0.001% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.14 +/- 1.23   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.02 +/- 1.31   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.72 +/- 0.63   0.000% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.982, support = 7.07, residual support = 287.0:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.68 +/- 0.31  85.488% * 57.7061% (1.00   7.17 316.18) =  88.985%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.10 +/- 0.36  14.509% * 42.0864% (0.84   6.26  51.00) =  11.015%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.93 +/- 0.87   0.002% *  0.1106% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  25.21 +/- 1.05   0.001% *  0.0722% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.49 +/- 1.35   0.001% *  0.0248% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.36, residual support = 316.2:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.37 +/- 0.50  98.452% * 99.1042% (1.00  10.0 10.00   7.36 316.18) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.05 +/- 1.44   1.044% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   LYS+ 121   6.56 +/- 0.38   0.488% *  0.0757% (0.76   1.0  1.00   0.02   2.14) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.40 +/- 1.57   0.003% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.27 +/- 1.22   0.009% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.92 +/- 1.21   0.002% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  19.88 +/- 1.96   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  26.09 +/- 1.22   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.55 +/- 1.33   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  24.71 +/- 1.26   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.79, residual support = 316.2:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.88 +/- 0.13  99.477% * 99.4783% (1.00  10.0 10.00   7.79 316.18) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.15 +/- 0.75   0.497% *  0.0307% (0.31   1.0  1.00   0.02   2.29) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  14.23 +/- 1.66   0.010% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  17.27 +/- 1.87   0.003% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.27 +/- 1.48   0.003% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  15.64 +/- 1.65   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  17.87 +/- 1.98   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  17.35 +/- 1.11   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  21.05 +/- 1.75   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  24.42 +/- 1.12   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1551 (1.15, 1.15, 24.39 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 121 - HG2   LYS+ 121  (1.00)  kept
 
    Peak 1552 (0.80, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.2:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.991% * 99.3314% (1.00  10.0 10.00   6.31 316.18) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.53 +/- 0.45   0.008% *  0.0483% (0.49   1.0  1.00   0.02   2.29) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  16.20 +/- 1.28   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.84 +/- 1.14   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  21.44 +/- 1.76   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.852, support = 7.22, residual support = 316.2:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.75 +/- 0.19  52.989% * 75.5250% (1.00  10.0 10.00   7.09 316.18) =  78.524%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.81 +/- 0.18  46.954% * 23.3106% (0.31  10.0 10.00   7.73 316.18) =  21.476%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.03 +/- 1.78   0.011% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121   9.78 +/- 1.39   0.033% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  13.66 +/- 1.39   0.004% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.70 +/- 1.66   0.007% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.01 +/- 1.62   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.33 +/- 1.64   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.22 +/- 1.05   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  22.28 +/- 1.25   0.000% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.2:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.57 +/- 0.47  98.445% * 99.7880% (1.00  10.0   6.31 316.18) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.48 +/- 1.10   1.555% *  0.0833% (0.84   1.0   0.02  51.00) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  24.59 +/- 1.29   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  26.58 +/- 1.47   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.71 +/- 1.41   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.77, residual support = 316.2:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.23 +/- 0.41  96.423% * 98.4706% (1.00  10.0 10.00   6.77 316.18) =  99.997%  kept
          QB    SER  117 - HG3   LYS+ 121   6.18 +/- 0.87   2.245% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.51 +/- 0.34   0.687% *  0.0753% (0.76   1.0  1.00   0.02   2.14) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  10.66 +/- 0.59   0.102% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73   9.83 +/- 1.35   0.239% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.41 +/- 0.91   0.006% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  17.83 +/- 1.51   0.005% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.79 +/- 1.09   0.171% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  12.03 +/- 1.43   0.047% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  17.20 +/- 1.07   0.006% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  14.26 +/- 1.14   0.019% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  15.01 +/- 0.78   0.012% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.28 +/- 0.94   0.017% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  16.05 +/- 0.89   0.007% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.13 +/- 0.86   0.008% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  20.17 +/- 1.80   0.003% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  19.61 +/- 0.97   0.002% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.71 +/- 1.23   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  26.48 +/- 1.30   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  23.83 +/- 1.30   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 316.2:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.81 +/- 0.18  99.187% * 98.6953% (1.00  10.0 10.00   7.21 316.18) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.22 +/- 0.56   0.196% *  0.3046% (0.31   1.0 10.00   0.02   2.29) =   0.001%
          HD2   LYS+  74 - QD2   LEU   73   7.24 +/- 0.71   0.420% *  0.0204% (0.21   1.0  1.00   0.02  41.43) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.76 +/- 1.07   0.006% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  10.14 +/- 1.13   0.062% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.01 +/- 1.28   0.037% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.24 +/- 1.65   0.015% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.62 +/- 0.68   0.022% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  12.57 +/- 0.96   0.014% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  16.78 +/- 1.47   0.003% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.72 +/- 1.33   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  12.00 +/- 0.78   0.018% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  15.42 +/- 1.39   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  17.57 +/- 1.90   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  17.45 +/- 1.04   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  15.61 +/- 1.49   0.005% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.74 +/- 1.82   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  23.58 +/- 1.14   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.83 +/- 0.92   0.002% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.87 +/- 1.55   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.2:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.907% * 98.9593% (1.00  10.0 10.00   6.31 316.18) = 100.000%  kept
        T HB3   LEU   31 - QD2   LEU   73   6.85 +/- 0.35   0.029% *  0.0938% (0.09   1.0 10.00   0.02   3.35) =   0.000%
          QB    ALA   20 - QD2   LEU   73   6.29 +/- 0.37   0.050% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.64 +/- 0.46   0.004% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.56 +/- 0.48   0.004% *  0.0305% (0.31   1.0  1.00   0.02   2.92) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  16.20 +/- 1.28   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  12.25 +/- 1.21   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.89 +/- 0.96   0.001% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.03 +/- 1.40   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  20.58 +/- 1.11   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  12.47 +/- 1.04   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.42 +/- 1.29   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1558 (0.80, 0.80, 24.39 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 121 - HG3   LYS+ 121  (1.00)  kept
          QD2   LEU   73 - QD2   LEU   73  (0.12)  kept
 
    Peak 1559 (1.50, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.625, support = 6.82, residual support = 316.2:
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.34 +/- 0.12  78.162% * 23.1874% (0.31  10.0 10.00   7.06 316.18) =  54.265%  kept
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.94 +/- 0.09  20.332% * 75.1260% (1.00  10.0 10.00   6.53 316.18) =  45.734%  kept
          QG2   THR   26 - QD2   LEU   73   5.00 +/- 0.68   1.047% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   6.24 +/- 0.54   0.278% *  0.0196% (0.26   1.0  1.00   0.02  41.43) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   8.09 +/- 0.48   0.058% *  0.0507% (0.07   1.0 10.00   0.02  41.43) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.68 +/- 1.80   0.005% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   8.80 +/- 1.15   0.041% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.54 +/- 0.73   0.004% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  15.06 +/- 1.51   0.002% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  10.93 +/- 1.31   0.010% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.33 +/- 0.69   0.045% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  15.13 +/- 1.31   0.001% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  12.36 +/- 1.28   0.005% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.37 +/- 0.96   0.007% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.47 +/- 1.19   0.003% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.43 +/- 1.46   0.000% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  21.09 +/- 1.63   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.82 +/- 0.74   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.95 +/- 1.23   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  18.25 +/- 1.54   0.000% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 316.2:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.64 +/- 0.45  90.641% * 99.6820% (1.00  10.0   6.00 316.18) =  99.997%  kept
          HG2   GLN   30 - QD2   LEU   73   4.43 +/- 0.85   8.728% *  0.0233% (0.23   1.0   0.02   5.35) =   0.002%
          HB3   HIS  122 - HG3   LYS+ 121   6.80 +/- 0.76   0.528% *  0.0833% (0.84   1.0   0.02  51.00) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   9.05 +/- 0.57   0.079% *  0.0152% (0.15   1.0   0.02   0.97) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.38 +/- 0.94   0.013% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  14.32 +/- 1.72   0.006% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.52 +/- 0.75   0.004% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  24.08 +/- 0.93   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  25.75 +/- 0.98   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  29.20 +/- 1.48   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.991, support = 7.48, residual support = 304.5:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.91 +/- 0.46  50.640% * 56.2480% (1.00 10.00   7.61 316.18) =  96.280%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.64 +/- 0.55   2.517% * 42.9863% (0.76 10.00   4.18   2.14) =   3.657%  kept
          QB    SER  117 - HD2   LYS+ 121   5.07 +/- 1.97  36.355% *  0.0470% (0.84  1.00   0.02   0.02) =   0.058%
        T HA    LYS+  65 - QD    LYS+  66   6.00 +/- 0.39   4.481% *  0.0239% (0.04 10.00   0.02  25.06) =   0.004%
          HA    ALA  120 - QD    LYS+  66   7.27 +/- 1.51   3.518% *  0.0053% (0.10  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QD    LYS+  66  10.75 +/- 1.54   0.187% *  0.0699% (0.12 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  16.45 +/- 1.83   0.018% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   8.07 +/- 1.05   1.038% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.43 +/- 1.43   0.098% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  12.65 +/- 0.88   0.051% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  11.04 +/- 1.16   0.138% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.33 +/- 1.08   0.327% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  11.07 +/- 0.70   0.097% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.78 +/- 1.29   0.014% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.61 +/- 1.15   0.340% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  11.80 +/- 1.38   0.095% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  19.17 +/- 2.26   0.009% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  21.36 +/- 1.13   0.002% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  14.53 +/- 0.95   0.021% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.69 +/- 0.80   0.019% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  24.11 +/- 1.43   0.001% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  24.44 +/- 1.58   0.001% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.23 +/- 1.18   0.006% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.29 +/- 0.82   0.010% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.40 +/- 1.33   0.005% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  23.05 +/- 1.17   0.001% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.57 +/- 0.88   0.004% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.35 +/- 1.57   0.002% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  21.81 +/- 1.12   0.002% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  24.87 +/- 0.98   0.001% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1562 (1.66, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.771, support = 6.88, residual support = 283.6:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.27 +/- 0.43  21.780% * 87.6744% (1.00  10.0 10.00   8.08 316.18) =  74.669%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  78.098% *  8.2944% (0.09  10.0  1.00   3.34 187.75) =  25.331%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.24 +/- 0.76   0.052% *  0.1088% (0.12   1.0 10.00   0.02  25.06) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.77 +/- 0.78   0.012% *  0.0271% (0.31   1.0  1.00   0.02   2.29) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.77 +/- 1.76   0.002% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  14.08 +/- 1.69   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  11.54 +/- 1.51   0.001% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  16.36 +/- 1.60   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.14 +/- 2.11   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  17.44 +/- 2.39   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   7.42 +/- 1.18   0.023% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   7.36 +/- 1.25   0.026% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.13 +/- 1.87   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  12.30 +/- 0.85   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  17.76 +/- 1.43   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  19.02 +/- 1.31   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  15.73 +/- 2.16   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  12.70 +/- 1.67   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.73 +/- 1.33   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.55 +/- 1.20   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.02 +/- 1.93   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.02 +/- 0.94   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  20.85 +/- 1.63   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.14 +/- 1.87   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  22.55 +/- 0.84   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  15.20 +/- 1.00   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  21.07 +/- 1.45   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.09 +/- 1.72   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  22.94 +/- 1.28   0.000% *  0.0107% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  21.09 +/- 0.93   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.09, residual support = 316.2:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.75 +/- 0.19  96.816% * 99.3656% (1.00  10.0 10.00   7.09 316.18) =  99.999%  kept
          QB    ALA   20 - HD3   LYS+  74   5.80 +/- 0.91   1.886% *  0.0124% (0.12   1.0  1.00   0.02   8.18) =   0.000%
          QG2   VAL  107 - HD2   LYS+ 121   8.20 +/- 1.00   0.178% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   7.79 +/- 1.05   0.268% *  0.0307% (0.31   1.0  1.00   0.02   2.92) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   7.74 +/- 1.84   0.743% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.03 +/- 1.78   0.020% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.25 +/- 1.41   0.017% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.57 +/- 0.94   0.023% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.51 +/- 1.40   0.027% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.33 +/- 1.64   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.19 +/- 1.62   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.86 +/- 0.91   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  13.56 +/- 1.29   0.008% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  20.34 +/- 1.95   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.08 +/- 2.22   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.11 +/- 1.38   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.82 +/- 0.69   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  20.51 +/- 1.04   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.53, residual support = 316.2:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.94 +/- 0.09  80.537% * 99.1222% (1.00  10.0 10.00   6.53 316.18) =  99.998%  kept
          QD2   LEU  123 - QD    LYS+  66   4.43 +/- 1.19  18.963% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HD3   LYS+  74   8.09 +/- 0.48   0.220% *  0.0527% (0.05   1.0 10.00   0.02  41.43) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.78 +/- 0.59   0.125% *  0.0482% (0.49   1.0  1.00   0.02   2.29) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.27 +/- 1.40   0.034% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.68 +/- 1.80   0.016% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  15.06 +/- 1.51   0.006% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.54 +/- 0.73   0.015% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.70 +/- 1.31   0.047% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74  11.34 +/- 0.95   0.027% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  21.09 +/- 1.63   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.17 +/- 2.03   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.08 +/- 1.29   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.76 +/- 0.69   0.005% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.12 +/- 1.07   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 0.999, support = 6.45, residual support = 314.0:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.25 +/- 0.10  95.909% * 82.0195% (1.00  10.0  1.00   6.46 316.18) =  99.172%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.07 +/- 1.65   3.829% * 17.1537% (0.84   1.0  1.00   5.01  51.00) =   0.828%  kept
          HB3   HIS  122 - QD    LYS+  66   7.45 +/- 2.13   0.243% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  12.60 +/- 0.51   0.003% *  0.0879% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.78 +/- 1.95   0.007% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  23.23 +/- 1.54   0.000% *  0.5634% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.34 +/- 0.65   0.000% *  0.0701% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.13 +/- 1.00   0.008% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  17.10 +/- 1.05   0.001% *  0.0107% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.64 +/- 1.98   0.000% *  0.0128% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.38 +/- 0.71   0.000% *  0.0057% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.24 +/- 1.78   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.53 +/- 1.60   0.000% *  0.0127% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  24.44 +/- 0.91   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.52 +/- 1.34   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 69.9:
    * O T HB2   HIS  122 - HA    HIS  122   2.48 +/- 0.05  99.998% * 99.8210% (1.00  10.0 10.00   2.76  69.94) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.67 +/- 0.65   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  21.41 +/- 1.12   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.997, support = 3.75, residual support = 69.6:
    * O T HB3   HIS  122 - HA    HIS  122   2.82 +/- 0.29  87.459% * 87.7293% (1.00  10.0 10.00   3.76  69.94) =  98.047%  kept
          QE    LYS+ 121 - HA    HIS  122   6.20 +/- 2.01  12.540% * 12.1893% (0.84   1.0  1.00   3.33  51.00) =   1.953%  kept
          HG2   GLN   30 - HA    HIS  122  21.59 +/- 0.88   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  24.73 +/- 1.23   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  29.06 +/- 1.03   0.000% *  0.0361% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 69.9:
    * O T HA    HIS  122 - HB2   HIS  122   2.48 +/- 0.05  99.983% * 99.8702% (1.00  10.0 10.00   2.76  69.94) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  11.12 +/- 1.28   0.016% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.86 +/- 0.95   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  22.15 +/- 0.94   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.64, residual support = 69.9:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.703% * 99.8240% (1.00  10.0 10.00   3.64  69.94) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.57 +/- 2.12   0.297% *  0.0834% (0.84   1.0  1.00   0.02  51.00) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  19.69 +/- 0.95   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  23.37 +/- 1.42   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  27.38 +/- 1.04   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 69.9:
    * O T HA    HIS  122 - HB3   HIS  122   2.82 +/- 0.29  99.973% * 99.8702% (1.00  10.0 10.00   3.76  69.94) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  11.60 +/- 1.31   0.024% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.15 +/- 0.94   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.89 +/- 0.93   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.64, residual support = 69.9:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.999% * 99.8210% (1.00  10.0 10.00   3.64  69.94) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  13.88 +/- 0.82   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.92 +/- 1.18   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 200.3:
    * O T HB2   LEU  123 - HA    LEU  123   2.92 +/- 0.12  99.634% * 98.5720% (1.00  10.0 10.00   6.10 200.30) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  11.16 +/- 1.58   0.049% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.81 +/- 0.10   0.280% *  0.0304% (0.31   1.0  1.00   0.02   2.29) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.85 +/- 0.86   0.004% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.22 +/- 1.24   0.023% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  18.26 +/- 2.29   0.003% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  17.65 +/- 2.04   0.003% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.60 +/- 0.84   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  20.26 +/- 1.17   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  19.87 +/- 1.49   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.19 +/- 1.31   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  26.64 +/- 1.50   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 200.3:
    * O T HB3   LEU  123 - HA    LEU  123   2.66 +/- 0.17  99.996% * 99.6484% (1.00  10.0 10.00   5.51 200.30) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  16.16 +/- 0.61   0.002% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  20.91 +/- 2.12   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.25 +/- 0.80   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  20.19 +/- 1.28   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  24.40 +/- 1.55   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.3:
    * O T HG    LEU  123 - HA    LEU  123   3.45 +/- 0.59  89.555% * 98.6685% (0.69  10.0 10.00   5.42 200.30) =  99.996%  kept
          QB    LYS+  66 - HA    LEU  123   5.76 +/- 0.99   9.105% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - HA    LEU  123   9.39 +/- 2.32   1.196% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  123  11.54 +/- 0.73   0.088% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  17.67 +/- 1.46   0.008% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  15.09 +/- 0.84   0.018% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  18.50 +/- 1.61   0.007% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.03 +/- 1.91   0.011% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  17.79 +/- 1.27   0.007% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  20.60 +/- 1.44   0.003% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.76 +/- 1.38   0.001% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  24.32 +/- 0.89   0.001% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  29.06 +/- 1.61   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  29.11 +/- 1.35   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.3:
    *   T QD1   LEU  123 - HA    LEU  123   2.26 +/- 0.54  99.794% * 99.6081% (1.00 10.00   6.05 200.30) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  123   8.16 +/- 1.38   0.117% *  0.0919% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123   9.47 +/- 1.27   0.067% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.40 +/- 1.27   0.013% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  14.44 +/- 1.31   0.005% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  15.15 +/- 1.71   0.003% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.3:
    *   T QD2   LEU  123 - HA    LEU  123   2.76 +/- 0.25  99.896% * 99.9316% (1.00 10.00   4.75 200.30) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.25 +/- 0.41   0.086% *  0.0486% (0.49  1.00   0.02   2.29) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.40 +/- 1.27   0.018% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 200.3:
    * O T HA    LEU  123 - HB2   LEU  123   2.92 +/- 0.12  99.960% * 98.7431% (1.00  10.0 10.00   6.10 200.30) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  15.98 +/- 1.34   0.005% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.38 +/- 0.77   0.020% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.83 +/- 0.84   0.004% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  15.89 +/- 1.61   0.005% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  15.65 +/- 0.69   0.005% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  19.73 +/- 1.30   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  23.70 +/- 1.54   0.000% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  24.29 +/- 1.66   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.3:
    * O T HG    LEU  123 - HB2   LEU  123   2.37 +/- 0.22  99.790% * 97.8726% (0.69  10.0 10.00   5.42 200.30) = 100.000%  kept
          QB    LYS+  66 - HB2   LEU  123   7.24 +/- 1.02   0.179% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LEU  123  12.00 +/- 2.22   0.016% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.73 +/- 0.76   0.002% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  11.18 +/- 0.73   0.010% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.54 +/- 1.57   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  18.72 +/- 1.43   0.001% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.28 +/- 1.03   0.001% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  16.95 +/- 1.52   0.001% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.53 +/- 1.17   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  23.39 +/- 1.63   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  23.36 +/- 1.16   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  28.68 +/- 1.61   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  29.49 +/- 1.22   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 200.3:
    * O T QD1   LEU  123 - HB2   LEU  123   2.77 +/- 0.16  99.868% * 99.6081% (1.00  10.0 10.00   5.94 200.30) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123  10.07 +/- 1.23   0.059% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.48 +/- 1.23   0.053% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  12.62 +/- 1.06   0.014% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  15.59 +/- 1.30   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  17.02 +/- 1.56   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 200.3:
    * O T QD2   LEU  123 - HB2   LEU  123   2.91 +/- 0.37  99.697% * 99.4960% (1.00  10.0 10.00   4.85 200.30) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.22 +/- 0.56   0.283% *  0.4843% (0.49   1.0 10.00   0.02   2.29) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  12.62 +/- 1.06   0.020% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.3:
    * O T HA    LEU  123 - HG    LEU  123   3.45 +/- 0.59  99.798% * 99.5102% (0.69  10.0 10.00   5.42 200.30) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  11.74 +/- 1.05   0.105% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  14.28 +/- 1.10   0.029% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.83 +/- 0.96   0.033% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  16.56 +/- 1.59   0.012% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  16.29 +/- 1.83   0.014% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  18.92 +/- 1.59   0.005% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  24.15 +/- 1.76   0.001% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  23.56 +/- 1.64   0.001% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.3:
    * O T HB2   LEU  123 - HG    LEU  123   2.37 +/- 0.22  99.880% * 96.6014% (0.69  10.0 10.00   5.42 200.30) = 100.000%  kept
        T QD    LYS+  65 - HG    LEU  123  12.10 +/- 1.56   0.012% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG    LEU  123   7.54 +/- 0.44   0.098% *  0.0298% (0.21   1.0  1.00   0.02   2.29) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.17 +/- 1.08   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  18.37 +/- 1.43   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  19.61 +/- 1.98   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  13.23 +/- 1.51   0.005% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.52 +/- 0.91   0.002% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  20.07 +/- 1.98   0.000% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  20.64 +/- 1.47   0.000% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.51 +/- 1.61   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  26.74 +/- 1.35   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 200.3:
    * O T HB3   LEU  123 - HG    LEU  123   2.68 +/- 0.13  99.993% * 97.8109% (0.69  10.0 10.00   5.12 200.30) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  17.92 +/- 1.04   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.70 +/- 0.88   0.004% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  22.72 +/- 2.04   0.000% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  22.30 +/- 1.79   0.000% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  19.93 +/- 1.28   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.3:
    * O T QD1   LEU  123 - HG    LEU  123   2.11 +/- 0.02  99.957% * 99.6081% (0.69  10.0 10.00   5.61 200.30) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123   9.96 +/- 1.44   0.014% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   9.51 +/- 1.54   0.025% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.56 +/- 1.17   0.002% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  14.55 +/- 1.17   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  16.78 +/- 1.68   0.001% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.3:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.985% * 99.9316% (0.69  10.0 10.00   4.44 200.30) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.38 +/- 0.42   0.014% *  0.0486% (0.33   1.0  1.00   0.02   2.29) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.56 +/- 1.17   0.002% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.3:
    *   T HA    LEU  123 - QD1   LEU  123   2.26 +/- 0.54  99.909% * 99.5102% (1.00 10.00   6.05 200.30) = 100.000%  kept
          HA    ASP- 113 - QD1   LEU  123  10.32 +/- 0.62   0.038% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU  123  11.58 +/- 1.11   0.016% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.96 +/- 1.10   0.018% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  12.43 +/- 1.39   0.007% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  12.14 +/- 1.61   0.008% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  14.42 +/- 1.33   0.003% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  18.70 +/- 1.51   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  18.39 +/- 1.59   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 200.3:
    * O T HB2   LEU  123 - QD1   LEU  123   2.77 +/- 0.16  98.546% * 99.3293% (1.00  10.0 10.00   5.94 200.30) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.78 +/- 0.26   1.237% *  0.0307% (0.31   1.0  1.00   0.02   2.29) =   0.000%
          QD    LYS+  65 - QD1   LEU  123   9.36 +/- 1.25   0.102% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123   9.94 +/- 1.32   0.074% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.27 +/- 0.81   0.016% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  14.87 +/- 1.34   0.005% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.46 +/- 0.84   0.006% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  15.37 +/- 1.69   0.005% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  15.80 +/- 1.48   0.004% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  15.58 +/- 1.46   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.44 +/- 1.46   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  21.07 +/- 1.30   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 200.3:
    * O T HB3   LEU  123 - QD1   LEU  123   2.97 +/- 0.36  99.948% * 99.6484% (1.00  10.0 10.00   5.73 200.30) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.80 +/- 0.91   0.032% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.08 +/- 0.82   0.007% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  15.47 +/- 1.23   0.007% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  17.61 +/- 1.84   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  18.28 +/- 1.40   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.39 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.3:
    * O T HG    LEU  123 - QD1   LEU  123   2.11 +/- 0.02  91.929% * 98.8924% (0.69  10.0 10.00   5.61 200.30) =  99.998%  kept
          QB    LYS+  66 - QD1   LEU  123   4.15 +/- 1.19   7.991% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - QD1   LEU  123   8.56 +/- 1.73   0.051% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD1   LEU  123   8.91 +/- 0.53   0.018% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.52 +/- 0.83   0.004% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.06 +/- 1.21   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.62 +/- 1.54   0.003% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.02 +/- 1.63   0.002% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  14.41 +/- 1.08   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.75 +/- 1.47   0.000% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.34 +/- 1.28   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  18.18 +/- 1.10   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  22.51 +/- 1.30   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  23.03 +/- 1.24   0.000% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 200.3:
    * O T QD2   LEU  123 - QD1   LEU  123   2.08 +/- 0.06  99.936% * 99.7540% (1.00  10.0 10.00   4.91 200.30) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.40 +/- 0.50   0.056% *  0.0486% (0.49   1.0  1.00   0.02   2.29) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  10.28 +/- 1.02   0.009% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.3:
    *   T HA    LEU  123 - QD2   LEU  123   2.76 +/- 0.25  99.919% * 99.5102% (1.00 10.00   4.75 200.30) = 100.000%  kept
          HA    ASP- 113 - QD2   LEU  123  11.15 +/- 0.71   0.029% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU  123  12.79 +/- 1.10   0.013% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.80 +/- 0.98   0.018% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  14.53 +/- 1.41   0.007% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  14.12 +/- 1.68   0.008% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  15.41 +/- 1.56   0.004% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  20.58 +/- 1.60   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  18.95 +/- 1.76   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 200.3:
    * O T HB2   LEU  123 - QD2   LEU  123   2.91 +/- 0.37  99.489% * 99.0560% (1.00  10.0 10.00   4.85 200.30) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   8.01 +/- 0.18   0.286% *  0.3057% (0.31   1.0 10.00   0.02   2.29) =   0.001%
          QD    LYS+  65 - QD2   LEU  123   9.59 +/- 1.46   0.157% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  11.63 +/- 1.33   0.038% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  15.83 +/- 0.84   0.005% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  17.31 +/- 1.84   0.005% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.40 +/- 0.79   0.008% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  16.62 +/- 1.28   0.004% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  17.01 +/- 1.64   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  17.84 +/- 1.52   0.003% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  19.33 +/- 1.41   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.36 +/- 1.33   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 200.3:
    * O T HB3   LEU  123 - QD2   LEU  123   2.32 +/- 0.35  99.991% * 99.6484% (1.00  10.0 10.00   4.43 200.30) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.72 +/- 0.87   0.005% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.51 +/- 0.68   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  19.01 +/- 1.98   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.24 +/- 1.29   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  19.30 +/- 1.55   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.3:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  97.921% * 98.6685% (0.69  10.0 10.00   4.44 200.30) =  99.999%  kept
          QB    LYS+  66 - QD2   LEU  123   4.93 +/- 1.26   2.024% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD2   LEU  123   8.84 +/- 1.82   0.045% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  11.34 +/- 0.50   0.004% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  14.05 +/- 1.67   0.002% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.69 +/- 0.84   0.001% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  17.46 +/- 1.24   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  18.78 +/- 1.57   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  16.22 +/- 1.68   0.001% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  16.83 +/- 1.07   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.84 +/- 1.38   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.64 +/- 1.15   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  24.66 +/- 1.32   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  24.98 +/- 1.29   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 200.3:
    * O T QD1   LEU  123 - QD2   LEU  123   2.08 +/- 0.06  99.850% * 99.6081% (1.00  10.0 10.00   4.91 200.30) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   8.38 +/- 1.47   0.055% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   8.58 +/- 1.59   0.088% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.38 +/- 1.20   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  12.59 +/- 1.03   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  14.08 +/- 1.65   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1611 (0.82, 0.82, 23.66 ppm):
    1 diagonal assignment:
    *     QD2   LEU  123 - QD2   LEU  123  (1.00)  kept
 
    Peak 1612 (4.11, 4.11, 54.16 ppm):
    2 diagonal assignments:
    *     HA    ALA  124 - HA    ALA  124  (1.00)  kept
          HA    ALA   34 - HA    ALA   34  (0.04)  kept
 
    Peak 1614 (1.35, 4.11, 54.16 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.24:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.01  99.770% * 97.4620% (1.00  10.0 10.00   1.00   9.24) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.59 +/- 0.17   0.049% *  0.0730% (0.07   1.0 10.00   0.02   4.71) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.53 +/- 0.26   0.124% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.81 +/- 1.42   0.023% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.36 +/- 1.00   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   9.22 +/- 0.65   0.017% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  14.09 +/- 1.92   0.002% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  17.67 +/- 1.91   0.000% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  26.32 +/- 1.35   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  25.53 +/- 1.86   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  18.85 +/- 0.79   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  19.21 +/- 1.45   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.51 +/- 0.67   0.008% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.53 +/- 1.18   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  18.42 +/- 0.88   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.03 +/- 1.48   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.46 +/- 0.92   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  20.08 +/- 2.68   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.71 +/- 0.47   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  13.39 +/- 1.47   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  20.42 +/- 2.71   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.78 +/- 0.81   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.81 +/- 1.17   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  18.53 +/- 0.94   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.63 +/- 0.77   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  22.81 +/- 1.31   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  30.55 +/- 1.91   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  23.30 +/- 1.00   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.59 +/- 1.50   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  29.10 +/- 0.87   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.24:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.01  99.998% * 98.8388% (1.00  10.0 10.00   1.00   9.24) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  17.67 +/- 1.91   0.000% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.08 +/- 0.51   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  23.75 +/- 1.56   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.86 +/- 0.97   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  21.33 +/- 2.19   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  18.55 +/- 1.64   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.75 +/- 1.41   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 200.3:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.48 200.30) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.35 +/- 1.01   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  22.91 +/- 1.88   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  21.12 +/- 1.27   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  16.13 +/- 0.64   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  23.95 +/- 1.80   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.48, residual support = 200.3:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.982% * 96.4170% (0.99  10.0 10.00   5.48 200.30) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.84 +/- 0.70   0.016% *  0.0365% (0.38   1.0  1.00   0.02   2.29) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.33 +/- 1.45   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  19.45 +/- 2.39   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  18.57 +/- 1.12   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  19.55 +/- 2.06   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  12.73 +/- 1.62   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  16.18 +/- 1.18   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  20.18 +/- 1.48   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  27.97 +/- 1.49   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  21.69 +/- 1.46   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.18 +/- 1.53   0.000% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 200.3:
    * O T QD1   LEU  123 - HB3   LEU  123   2.97 +/- 0.36  99.788% * 99.6081% (1.00  10.0 10.00   5.73 200.30) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  10.10 +/- 1.39   0.121% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  10.83 +/- 1.50   0.065% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.44 +/- 1.65   0.014% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  15.75 +/- 1.32   0.006% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  17.12 +/- 1.70   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 200.3:
    * O T QD2   LEU  123 - HB3   LEU  123   2.32 +/- 0.35  99.899% * 99.9316% (1.00  10.0 10.00   4.43 200.30) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.21 +/- 0.84   0.089% *  0.0486% (0.49   1.0  1.00   0.02   2.29) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.44 +/- 1.65   0.012% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 200.3:
    * O T HG    LEU  123 - HB3   LEU  123   2.68 +/- 0.13  99.524% * 95.7694% (0.69  10.0 10.00   5.12 200.30) =  99.999%  kept
        T HG3   PRO   68 - HB3   LEU  123  11.56 +/- 2.19   0.028% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU  123   7.13 +/- 1.02   0.423% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.12 +/- 1.12   0.016% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.69 +/- 1.46   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.76 +/- 1.56   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.57 +/- 0.97   0.003% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  19.55 +/- 1.77   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.06 +/- 1.48   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  17.52 +/- 1.54   0.002% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.00 +/- 1.92   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  24.02 +/- 1.26   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  29.50 +/- 1.62   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  30.09 +/- 1.38   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 200.3:
    * O T HA    LEU  123 - HB3   LEU  123   2.66 +/- 0.17  99.980% * 99.5102% (1.00  10.0 10.00   5.51 200.30) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.11 +/- 0.72   0.008% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.30 +/- 1.01   0.002% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  16.47 +/- 1.71   0.003% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.27 +/- 1.95   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  15.82 +/- 0.66   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  19.57 +/- 1.58   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  24.04 +/- 1.88   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  23.90 +/- 1.94   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 5.54, residual support = 316.2:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  97.426% * 76.1572% (1.00  10.0   5.53 316.18) =  99.197%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.60 +/- 0.54   2.555% * 23.5057% (0.31  10.0   7.07 316.18) =   0.803%  kept
          HG    LEU  104 - HD3   LYS+ 121   9.07 +/- 2.03   0.014% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.63 +/- 1.86   0.001% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  12.52 +/- 2.49   0.002% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.34 +/- 1.78   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.98 +/- 1.52   0.000% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.37 +/- 1.41   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  21.17 +/- 1.22   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.21 +/- 1.69   0.000% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 316.2:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.77 +/- 0.33  99.662% * 99.7211% (1.00  10.0   6.28 316.18) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.73 +/- 1.04   0.169% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   8.90 +/- 0.86   0.136% *  0.0308% (0.31   1.0   0.02   2.92) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.95 +/- 1.55   0.031% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.82 +/- 1.46   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  20.34 +/- 2.28   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 316.2:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.55 +/- 0.27  99.924% * 98.9917% (1.00  10.0 10.00   5.98 316.18) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  12.06 +/- 1.22   0.013% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.49 +/- 0.67   0.060% *  0.0482% (0.49   1.0  1.00   0.02   2.29) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.48 +/- 1.61   0.003% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  20.27 +/- 2.42   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.15, residual support = 316.2:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.04 +/- 0.29  99.615% * 99.2313% (1.00  10.0  1.00   7.15 316.18) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.53 +/- 0.87   0.323% *  0.0306% (0.31   1.0  1.00   0.02   2.29) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  14.38 +/- 2.16   0.015% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  13.51 +/- 1.86   0.024% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  17.22 +/- 2.60   0.006% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.38 +/- 1.44   0.003% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  16.38 +/- 2.16   0.007% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.59 +/- 1.14   0.004% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  19.90 +/- 1.71   0.002% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  22.79 +/- 1.14   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 316.2:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.47 +/- 0.10  98.781% * 99.7880% (1.00  10.0   5.85 316.18) =  99.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   6.86 +/- 1.58   1.219% *  0.0833% (0.84   1.0   0.02  51.00) =   0.001%
          HG2   GLN   30 - HD3   LYS+ 121  23.64 +/- 1.72   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  25.32 +/- 2.11   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  28.13 +/- 1.32   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.71, residual support = 316.0:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.24 +/- 0.62  63.244% * 99.1042% (1.00 10.00   6.72 316.18) =  99.952%  kept
          QB    SER  117 - HD3   LYS+ 121   5.49 +/- 1.91  34.211% *  0.0828% (0.84  1.00   0.02   0.02) =   0.045%
          HA    ALA  120 - HD3   LYS+ 121   7.58 +/- 0.62   2.352% *  0.0757% (0.76  1.00   0.02   2.14) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 121  17.50 +/- 1.75   0.025% *  0.3381% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.42 +/- 1.21   0.115% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  16.13 +/- 1.20   0.030% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  20.00 +/- 2.30   0.015% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.69 +/- 1.16   0.002% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  25.27 +/- 1.41   0.002% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  23.08 +/- 1.28   0.004% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.73, residual support = 316.2:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.81 +/- 0.18  99.692% * 99.7211% (0.84  10.0 10.00   7.73 316.18) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.98 +/- 0.37   0.103% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.14 +/- 0.46   0.183% *  0.0308% (0.26   1.0  1.00   0.02   2.92) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  12.51 +/- 1.32   0.020% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.49 +/- 1.36   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.38 +/- 1.29   0.001% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.06, residual support = 316.2:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.34 +/- 0.12  99.938% * 99.5295% (0.84  10.0 10.00   7.06 316.18) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.37 +/- 0.19   0.053% *  0.0484% (0.41   1.0  1.00   0.02   2.29) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  15.13 +/- 1.31   0.002% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  12.00 +/- 0.82   0.007% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  20.34 +/- 1.05   0.000% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.82, residual support = 316.2:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.974% * 97.1314% (0.84  10.0 10.00   8.82 316.18) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.11 +/- 0.52   0.025% *  0.0300% (0.26   1.0  1.00   0.02   2.29) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  13.89 +/- 2.02   0.001% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.36 +/- 1.24   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  16.91 +/- 1.23   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.19 +/- 1.32   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  16.86 +/- 1.66   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  16.36 +/- 0.96   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.64 +/- 1.82   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.18 +/- 1.51   0.000% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1670 (2.75, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.816, support = 6.77, residual support = 279.8:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.07 +/- 0.31  79.971% * 60.3871% (0.84  1.00   7.01 316.18) =  86.288%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.45 +/- 0.75  20.024% * 38.3247% (0.70  1.00   5.32  51.00) =  13.712%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  23.36 +/- 1.16   0.002% *  1.1843% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  25.49 +/- 1.03   0.001% *  0.0773% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  28.39 +/- 1.47   0.001% *  0.0266% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.24, residual support = 316.2:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.63 +/- 0.24  98.333% * 99.1042% (0.84  10.0 10.00   8.24 316.18) =  99.999%  kept
          QB    SER  117 - HB3   LYS+ 121   5.87 +/- 0.66   0.963% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   LYS+ 121   6.20 +/- 0.29   0.688% *  0.0757% (0.64   1.0  1.00   0.02   2.14) =   0.001%
        T HA    LYS+  65 - HB3   LYS+ 121  16.35 +/- 1.48   0.002% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.89 +/- 1.11   0.010% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  16.68 +/- 1.06   0.002% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  18.87 +/- 1.57   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.97 +/- 1.14   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  25.45 +/- 1.14   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  23.75 +/- 1.42   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.802, support = 8.69, residual support = 316.2:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  78.211% * 55.3563% (0.84  10.0 10.00   8.82 316.18) =  82.259%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.27 +/- 0.43  21.780% * 42.8727% (0.65  10.0 10.00   8.08 316.18) =  17.741%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.77 +/- 1.76   0.002% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.42 +/- 1.13   0.005% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.08 +/- 1.36   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.14 +/- 1.23   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.02 +/- 1.31   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  20.07 +/- 1.12   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.72 +/- 0.63   0.000% *  0.0323% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.798, support = 8.1, residual support = 312.0:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.63 +/- 0.24  54.752% * 52.0655% (0.84  10.0 10.00   8.24 316.18) =  88.878%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.91 +/- 0.46   6.716% * 40.3240% (0.65   1.0 10.00   7.61 316.18) =   8.444%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.85 +/- 0.42  38.056% *  2.2150% (0.04  10.0 10.00   5.27 163.49) =   2.628%  kept
        T QD    LYS+  66 - HA    LYS+  65   6.00 +/- 0.39   0.425% *  3.7757% (0.06   1.0 10.00   5.46  25.06) =   0.050%
        T QD    LYS+  66 - HA    LYS+ 121  10.75 +/- 1.54   0.018% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.83 +/- 1.03   0.015% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.14 +/- 1.32   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.65 +/- 0.88   0.005% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.12 +/- 0.90   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.36 +/- 1.13   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.35 +/- 1.48   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.45 +/- 1.83   0.001% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.45 +/- 0.53   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.38 +/- 0.86   0.004% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  14.90 +/- 0.93   0.002% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  22.39 +/- 1.05   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.94 +/- 1.58   0.001% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.67 +/- 1.52   0.000% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.96, support = 6.66, residual support = 310.0:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.24 +/- 0.62  21.715% * 97.6597% (1.00   1.0 10.00   6.72 316.18) =  95.958%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.05 +/- 0.70  73.630% *  1.2130% (0.01  10.0 10.00   5.27 163.49) =   4.041%  kept
          QB    ALA   61 - HA    LYS+  65   5.74 +/- 0.57   2.676% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.54 +/- 0.98   1.707% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.84 +/- 0.80   0.012% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.58 +/- 1.33   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.49 +/- 1.19   0.010% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  12.86 +/- 1.95   0.021% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  10.58 +/- 1.44   0.074% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.70 +/- 0.73   0.012% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  15.22 +/- 0.76   0.007% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.50 +/- 1.75   0.003% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  24.18 +/- 1.41   0.000% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.48 +/- 0.92   0.016% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.08 +/- 0.53   0.078% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.77 +/- 0.86   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  21.96 +/- 1.83   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.02 +/- 1.43   0.003% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.25 +/- 1.46   0.009% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  15.70 +/- 0.73   0.006% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  26.81 +/- 1.38   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.86 +/- 1.75   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.68 +/- 0.79   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.07 +/- 1.54   0.003% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  26.86 +/- 1.69   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.30 +/- 0.68   0.010% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  21.99 +/- 1.12   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  21.50 +/- 1.32   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 228.4:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.818% * 98.6779% (1.00  10.0 10.00   6.11 228.38) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.45 +/- 0.50   0.133% *  0.0305% (0.31   1.0  1.00   0.02  15.25) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   7.68 +/- 1.55   0.028% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   9.36 +/- 1.58   0.007% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.19 +/- 1.62   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  10.20 +/- 2.40   0.011% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.61 +/- 1.14   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.66 +/- 1.47   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  18.30 +/- 1.14   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.38 +/- 1.10   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  18.36 +/- 1.60   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.03 +/- 1.39   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.63 +/- 0.84   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.98 +/- 1.00   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  21.70 +/- 1.16   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  26.34 +/- 0.90   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 231.6:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.988% * 98.3538% (1.00  10.0 10.00   6.19 231.58) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.49 +/- 2.26   0.011% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  18.58 +/- 1.22   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.82 +/- 0.69   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.33 +/- 1.95   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  14.98 +/- 1.31   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  19.25 +/- 1.73   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  16.97 +/- 1.08   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.83 +/- 1.43   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.40 +/- 0.83   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.64 +/- 0.97   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.05 +/- 1.36   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  30.81 +/- 1.26   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  28.81 +/- 1.69   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 4.42, residual support = 231.6:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  87.316% * 56.6026% (0.95  10.0   4.28 231.58) =  90.027%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.78 +/- 0.68  12.657% * 43.2573% (0.72  10.0   5.68 231.58) =   9.973%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.35 +/- 1.35   0.027% *  0.0212% (0.36   1.0   0.02  27.89) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  13.91 +/- 0.87   0.000% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  20.76 +/- 1.42   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  25.24 +/- 1.74   0.000% *  0.0561% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 6.8, residual support = 313.5:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  79.506% * 97.3629% (1.00  10.0   6.84 315.24) =  99.456%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.66 +/- 1.09  20.491% *  2.0671% (0.57   1.0   0.75   2.57) =   0.544%  kept
          HB    ILE  119 - HB3   LYS+ 111  10.54 +/- 1.03   0.002% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.68 +/- 1.59   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.36 +/- 1.41   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.50 +/- 1.76   0.000% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.55 +/- 1.18   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.68 +/- 2.00   0.000% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  26.78 +/- 1.81   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.99 +/- 1.10   0.000% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.04 +/- 1.77   0.000% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.32 +/- 1.33   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 58.2:
    * O T QG1   VAL  107 - HA    VAL  107   2.24 +/- 0.27  99.925% * 99.5482% (1.00  10.0 10.00   4.31  58.23) = 100.000%  kept
          HG13  ILE  119 - HA    VAL  107   8.66 +/- 0.96   0.048% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL  107  11.83 +/- 0.77   0.008% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.35 +/- 1.09   0.017% *  0.0154% (0.15   1.0  1.00   0.02   0.43) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  17.75 +/- 0.91   0.000% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  18.22 +/- 1.81   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.06 +/- 0.81   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 58.2:
    * O T QG2   VAL  107 - HA    VAL  107   2.61 +/- 0.15  99.839% * 99.7501% (1.00  10.0 10.00   3.63  58.23) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  10.70 +/- 0.92   0.031% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.69 +/- 1.16   0.029% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   8.66 +/- 0.96   0.099% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.17 +/- 0.86   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.06 +/- 0.81   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.24, residual support = 42.7:
    * O T HB3   ASP- 105 - HA    ASP- 105   2.87 +/- 0.24  92.879% * 83.8896% (1.00  10.0 10.00   3.23  42.93) =  98.794%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.62 +/- 0.22   6.142% * 15.4761% (0.87   1.0  1.00   4.25  22.02) =   1.205%  kept
          HB    ILE  103 - HA    ASP- 105   6.78 +/- 0.25   0.592% *  0.0831% (0.99   1.0  1.00   0.02   2.39) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.40 +/- 0.36   0.367% *  0.0129% (0.15   1.0  1.00   0.02   2.39) =   0.000%
          HG    LEU  123 - HA    ASP- 105  14.15 +/- 0.74   0.007% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.59 +/- 0.85   0.004% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  18.98 +/- 2.13   0.002% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  19.46 +/- 1.55   0.001% *  0.0794% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.51 +/- 0.45   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.70 +/- 0.66   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  21.45 +/- 1.01   0.001% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.04 +/- 0.67   0.000% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.60 +/- 0.87   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  19.25 +/- 0.65   0.001% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 42.9:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.979% * 99.5527% (0.95  10.0 10.00   3.42  42.93) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   9.12 +/- 0.74   0.006% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   7.99 +/- 0.79   0.014% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.60 +/- 1.26   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  12.07 +/- 1.35   0.001% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.30 +/- 0.94   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  22.28 +/- 1.02   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.24 +/- 1.38   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  23.85 +/- 1.03   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.85, residual support = 140.1:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.9933% (1.00  10.0  1.00   4.65 135.78) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 32.5339% (0.49  10.0  1.00   5.25 149.00) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.98 +/- 1.79   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  12.27 +/- 1.75   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  11.93 +/- 1.76   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.74 +/- 1.29   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.73 +/- 1.53   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  16.85 +/- 1.08   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.17 +/- 1.08   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.42 +/- 1.55   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  19.44 +/- 2.04   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.44 +/- 2.01   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.08 +/- 1.18   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  17.86 +/- 1.16   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.56 +/- 1.34   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.97 +/- 2.32   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.56 +/- 2.24   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.12 +/- 1.62   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.19 +/- 1.23   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  29.29 +/- 1.26   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 138.3:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.946% * 99.2815% (0.80  10.0 10.00   4.31 138.30) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.57 +/- 0.53   0.043% *  0.0900% (0.73   1.0  1.00   0.02  22.39) =   0.000%
          HB    VAL   41 - HG13  ILE  103   8.87 +/- 1.85   0.010% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  14.01 +/- 1.51   0.000% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  15.78 +/- 1.26   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.77 +/- 1.76   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.51 +/- 1.31   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  18.68 +/- 1.29   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  21.13 +/- 1.46   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.69, residual support = 187.7:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.959% * 99.4757% (0.80  10.0   5.69 187.75) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   6.68 +/- 0.63   0.039% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  12.59 +/- 2.14   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  16.10 +/- 0.83   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  14.40 +/- 1.95   0.001% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  17.82 +/- 1.49   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.36 +/- 1.29   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.07 +/- 0.62   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.67 +/- 0.82   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.82 +/- 1.61   0.000% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 215.7:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.998% * 99.3078% (1.00  10.0 10.00   5.15 215.70) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  11.71 +/- 0.95   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  16.14 +/- 1.60   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  20.33 +/- 0.68   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  19.32 +/- 1.54   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  18.28 +/- 0.78   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  18.75 +/- 0.66   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  20.92 +/- 2.04   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.14 +/- 0.01  99.942% * 99.6237% (1.00  10.0 10.00   2.81  24.31) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.21 +/- 0.63   0.035% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.30 +/- 0.81   0.017% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.45 +/- 0.98   0.003% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.72 +/- 1.34   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.70 +/- 0.96   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  20.53 +/- 0.74   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.24 +/- 1.04   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  17.94 +/- 0.83   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  25.34 +/- 1.46   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.2:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81  10.17) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.15 +/- 0.54   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  13.71 +/- 0.68   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.50 +/- 1.04   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.74 +/- 1.44   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  16.12 +/- 0.33   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.66 +/- 0.88   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.77 +/- 1.48   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  31.89 +/- 0.56   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  38.04 +/- 2.14   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.3:
    * O T QG2   VAL   24 - QG1   VAL   24   2.07 +/- 0.02  99.999% * 99.5951% (1.00  10.0 10.00   2.70  65.27) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  15.67 +/- 1.61   0.001% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  18.30 +/- 1.82   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  24.25 +/- 1.82   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 154.9:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.987% * 99.4743% (1.00  10.0 10.00   6.05 154.87) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.39 +/- 0.34   0.009% *  0.0918% (0.92   1.0  1.00   0.02   8.10) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  11.22 +/- 2.30   0.004% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  14.79 +/- 2.52   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.75 +/- 1.17   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  21.54 +/- 2.11   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  19.90 +/- 1.07   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  15.44 +/- 0.87   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.58 +/- 1.12   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.41 +/- 1.44   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.78 +/- 1.58   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  29.18 +/- 1.22   0.000% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2134 (2.03, 2.03, 33.78 ppm):
    3 diagonal assignments:
    *     HG3   GLN   30 - HG3   GLN   30  (1.00)  kept
          HB2   LYS+ 111 - HB2   LYS+ 111  (0.10)  kept
          HB2   PRO   93 - HB2   PRO   93  (0.02)  kept
 
    Peak 2141 (2.92, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 149.0:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.50 +/- 0.30  98.519% * 99.0807% (1.00  10.0   4.50 149.00) = 100.000%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.68 +/- 0.60   0.999% *  0.0307% (0.31   1.0   0.02   0.76) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   7.98 +/- 0.76   0.139% *  0.0338% (0.34   1.0   0.02   1.43) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   7.35 +/- 0.70   0.230% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.32 +/- 1.04   0.024% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.40 +/- 0.40   0.048% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  11.84 +/- 1.66   0.018% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  14.28 +/- 0.85   0.004% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  13.13 +/- 1.95   0.011% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  18.38 +/- 2.39   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  19.00 +/- 1.30   0.001% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.83 +/- 1.41   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.55 +/- 1.31   0.000% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.23 +/- 1.18   0.000% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  19.50 +/- 1.47   0.000% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.72 +/- 0.98   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.44 +/- 1.44   0.000% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.51 +/- 1.28   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.77 +/- 1.41   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.43 +/- 1.01   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.10 +/- 1.31   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.73 +/- 0.90   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  21.12 +/- 1.10   0.000% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  27.68 +/- 0.68   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 149.0:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.29 +/- 0.10  99.997% * 98.2551% (1.00  10.0 10.00   5.66 149.00) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  19.12 +/- 0.78   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  19.20 +/- 0.98   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.95 +/- 0.71   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.15 +/- 0.88   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.90 +/- 1.00   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.47 +/- 1.17   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.993, support = 4.81, residual support = 216.4:
    *     QE    LYS+  38 - HA    LYS+  38   4.52 +/- 0.56  64.999% * 93.8604% (1.00  1.00   4.81 217.82) =  99.228%  kept
          QE    LYS+  99 - HA    GLU- 100   6.30 +/- 0.52  10.380% *  4.3821% (0.05  1.00   4.15  39.77) =   0.740%  kept
          QE    LYS+  99 - HA    LYS+  38   7.64 +/- 0.74   3.746% *  0.3497% (0.90  1.00   0.02   0.02) =   0.021%
          QE    LYS+  38 - HA    GLU- 100   5.73 +/- 0.70  17.997% *  0.0236% (0.06  1.00   0.02   0.02) =   0.007%
          QE    LYS+ 102 - HA    LYS+  38  11.17 +/- 1.27   0.415% *  0.3600% (0.92  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.38 +/- 0.72   2.058% *  0.0218% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  15.88 +/- 0.71   0.039% *  0.8682% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  14.20 +/- 0.84   0.078% *  0.0772% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  15.45 +/- 1.28   0.048% *  0.0525% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.63 +/- 0.54   0.241% *  0.0047% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.934, support = 4.48, residual support = 159.2:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.36 +/- 0.46  65.099% * 54.8141% (1.00  10.0 10.00   4.28 163.49) =  70.712%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.73 +/- 0.53  34.816% * 42.4513% (0.77  10.0 10.00   4.96 149.00) =  29.288%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.40 +/- 0.56   0.059% *  0.0287% (0.52   1.0  1.00   0.02   1.43) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.35 +/- 1.92   0.017% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.79 +/- 2.08   0.000% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.22 +/- 1.76   0.000% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.82 +/- 2.09   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.44 +/- 1.78   0.003% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  12.81 +/- 1.41   0.003% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.61 +/- 0.95   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.61 +/- 2.43   0.001% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.10 +/- 1.24   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.29 +/- 0.85   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.31 +/- 2.32   0.000% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  19.05 +/- 1.57   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.03 +/- 1.12   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.27 +/- 1.68   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.28 +/- 1.21   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  24.76 +/- 1.03   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  24.57 +/- 1.40   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.69 +/- 1.69   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.91 +/- 1.63   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.28 +/- 1.13   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  28.58 +/- 1.96   0.000% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 92.3:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.33 +/- 0.13  99.993% * 99.1144% (1.00  10.0 10.00   4.43  92.30) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  20.33 +/- 1.64   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  15.67 +/- 1.14   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  15.33 +/- 1.82   0.002% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.34 +/- 1.02   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  16.16 +/- 2.55   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.58 +/- 1.06   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  19.27 +/- 1.11   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.52 +/- 1.06   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  26.97 +/- 0.95   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  28.70 +/- 1.41   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.18, residual support = 92.3:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.18  92.30) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  15.95 +/- 0.99   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.80 +/- 0.64   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.27 +/- 0.98   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.44 +/- 1.36   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  25.14 +/- 1.07   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  29.76 +/- 1.79   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.3:
    * O T QG    GLN   17 - HB3   GLN   17   2.31 +/- 0.09  99.978% * 98.5118% (0.76  10.0 10.00   4.31  84.34) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  10.33 +/- 1.63   0.020% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.88 +/- 0.91   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.97 +/- 1.30   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.39 +/- 0.78   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  19.86 +/- 1.77   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  20.49 +/- 1.28   0.000% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.3:
    * O T HA    GLN   17 - HB3   GLN   17   2.70 +/- 0.29  96.540% * 99.5390% (1.00  10.0 10.00   4.00  84.34) =  99.998%  kept
          HA    GLU-  15 - HB3   GLN   17   5.20 +/- 0.46   3.312% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   GLN   17   9.43 +/- 1.29   0.124% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  12.93 +/- 1.49   0.011% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  13.94 +/- 0.75   0.006% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  17.20 +/- 0.88   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  17.85 +/- 1.76   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  15.58 +/- 1.27   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.3:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.888% * 97.4347% (1.00  10.0 10.00   4.00  84.34) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.41 +/- 0.35   0.044% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17   9.18 +/- 2.71   0.041% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.67 +/- 0.89   0.020% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  13.05 +/- 1.46   0.001% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  10.67 +/- 2.11   0.005% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  13.31 +/- 1.15   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.23 +/- 0.80   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  17.39 +/- 1.44   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.42 +/- 1.25   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.04 +/- 1.75   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  21.18 +/- 1.53   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.799, support = 3.29, residual support = 46.0:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.93 +/- 0.12  44.187% * 72.0932% (1.00  10.0 10.00   2.96  45.84) =  68.107%  kept
      O T HG3   MET   11 - HA    MET   11   2.86 +/- 0.65  55.738% * 26.7625% (0.37  10.0 10.00   4.00  46.33) =  31.892%  kept
        T HG3   MET   11 - HA    GLU-  14  10.84 +/- 1.49   0.029% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.04 +/- 1.25   0.042% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  15.92 +/- 1.45   0.002% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.17 +/- 1.19   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  20.62 +/- 1.57   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.39 +/- 2.44   0.001% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.36 +/- 1.85   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.28 +/- 1.21   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.54 +/- 1.91   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.52 +/- 1.78   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.2:
    * O T HB2   MET   92 - HA    MET   92   2.92 +/- 0.17  99.338% * 99.5277% (1.00  10.0 10.00   3.87  62.18) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   8.41 +/- 2.21   0.405% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   8.29 +/- 0.52   0.205% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.38 +/- 0.47   0.032% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  15.81 +/- 1.13   0.005% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  13.70 +/- 1.90   0.013% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  22.40 +/- 1.36   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  30.30 +/- 0.79   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  25.10 +/- 1.13   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  28.99 +/- 1.32   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  38.24 +/- 2.18   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.22, residual support = 61.7:
    * O T HB3   MET   92 - HA    MET   92   2.77 +/- 0.19  96.094% * 83.8264% (1.00  10.0 10.00   4.22  62.18) =  99.287%  kept
          HG3   PRO   93 - HA    MET   92   4.92 +/- 0.59   3.721% * 15.5556% (0.76   1.0  1.00   4.86   1.70) =   0.713%  kept
          HD2   LYS+ 111 - HA    MET   92  11.79 +/- 1.67   0.029% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    MET   92   8.66 +/- 1.69   0.143% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  12.95 +/- 0.61   0.010% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  17.87 +/- 1.05   0.002% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.68 +/- 0.61   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.45 +/- 1.60   0.000% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.92 +/- 0.76   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.61 +/- 0.89   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 62.2:
    * O T HG2   MET   92 - HA    MET   92   2.68 +/- 0.37  77.947% * 99.5593% (1.00  10.0 10.00   2.49  62.18) =  99.982%  kept
          HG2   PRO   52 - HA    MET   92   4.08 +/- 1.60  22.005% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.018%
          QG    GLU- 114 - HA    MET   92  10.93 +/- 1.39   0.044% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  15.79 +/- 1.95   0.003% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  25.39 +/- 1.58   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  33.39 +/- 1.28   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  33.54 +/- 1.50   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.2:
    * O T HG3   MET   92 - HA    MET   92   2.80 +/- 0.54  99.430% * 99.3565% (1.00  10.0 10.00   3.97  62.18) = 100.000%  kept
          QG    GLN   90 - HA    MET   92   8.17 +/- 0.66   0.490% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  12.80 +/- 0.72   0.027% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  13.91 +/- 1.89   0.037% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  15.25 +/- 0.81   0.007% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.53 +/- 0.90   0.004% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  18.58 +/- 0.97   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  26.04 +/- 1.33   0.000% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  28.44 +/- 0.73   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.75 +/- 1.39   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  24.87 +/- 1.11   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 1.32, residual support = 5.46:
          HB    VAL  108 - QB    LYS+ 106   4.23 +/- 0.08  97.769% * 79.8703% (0.92  1.00   1.32   5.47) =  99.973%  kept
          HB2   PRO   93 - QB    LYS+ 106   9.38 +/- 0.90   1.021% *  0.7424% (0.57  1.00   0.02   0.02) =   0.010%
        T HB2   GLN   30 - QB    LYS+ 106  15.52 +/- 0.91   0.043% * 13.1123% (1.00 10.00   0.02   0.02) =   0.007%
          HB    ILE  119 - QB    LYS+ 106  11.16 +/- 0.92   0.331% *  1.3112% (1.00  1.00   0.02   0.02) =   0.006%
          HB2   LYS+ 111 - QB    LYS+ 106   9.99 +/- 1.12   0.698% *  0.2919% (0.22  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QB    LYS+ 106  15.15 +/- 0.56   0.048% *  1.2996% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  17.25 +/- 1.47   0.025% *  1.1374% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  17.50 +/- 0.61   0.020% *  1.1374% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  19.13 +/- 0.93   0.012% *  0.6382% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  17.76 +/- 1.00   0.019% *  0.2296% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  18.63 +/- 0.92   0.014% *  0.2296% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 12 structures by 0.93 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.3:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.02  99.953% * 99.8873% (0.76  10.0   4.64  27.28) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   8.05 +/- 0.53   0.046% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  16.77 +/- 0.49   0.001% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 84.4:
      O   HN    VAL   75 - HA    VAL   75   2.93 +/- 0.00  99.492% * 99.8946% (0.90  10.0   5.27  84.44) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.08 +/- 0.15   0.508% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 17.6:
          HA    PHE   45 - HB    VAL   75   2.92 +/- 0.86  99.895% * 89.9031% (0.45   0.75  17.55) =  99.994%  kept
          HA    VAL   41 - HB    VAL   75  11.58 +/- 0.51   0.102% *  5.1606% (0.97   0.02   0.02) =   0.006%
          HA    HIS  122 - HB    VAL   75  19.72 +/- 0.98   0.003% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 3 structures by 0.17 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.6:
          QD    PHE   45 - HB    VAL   75   3.49 +/- 0.59  99.985% * 98.4856% (0.87   2.00  17.55) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  16.11 +/- 0.88   0.013% *  0.7799% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  21.92 +/- 1.60   0.002% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 1 structures by 0.15 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.536, support = 0.02, residual support = 0.847:
        T HZ    PHE   72 - HB    VAL   75  13.27 +/- 0.62   3.054% * 97.5882% (0.80 10.00   0.02   0.02) =  56.039%  kept
          HZ2   TRP   27 - HB    VAL   75   7.21 +/- 0.72  96.946% *  2.4118% (0.20  1.00   0.02   1.90) =  43.961%  kept
    Distance limit 3.98 A violated in 20 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.51, residual support = 84.4:
      O   HN    VAL   75 - HB    VAL   75   2.63 +/- 0.31  99.851% * 99.9348% (0.99  10.0   4.51  84.44) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   8.04 +/- 0.24   0.149% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.6:
        T QE    PHE   45 - QG1   VAL   75   2.73 +/- 0.40  99.909% * 99.5846% (0.34 10.00   2.31  17.55) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.50 +/- 0.30   0.078% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  12.92 +/- 0.49   0.012% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.6:
          QD    PHE   45 - QG1   VAL   75   2.29 +/- 0.40  99.998% * 99.5615% (1.00   2.96  17.55) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  14.98 +/- 0.69   0.002% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.64 +/- 1.34   0.000% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 5.14, residual support = 81.0:
          HN    VAL   75 - QG1   VAL   75   3.63 +/- 0.14  90.647% * 70.9698% (0.90   5.27  84.44) =  95.950%  kept
          HN    ASP-  78 - QG1   VAL   75   5.31 +/- 0.17   9.353% * 29.0302% (0.95   2.04   0.02) =   4.050%  kept
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 27.3:
          HN    ASP-  76 - QG1   VAL   75   2.75 +/- 0.27  99.898% * 99.1034% (0.41   4.97  27.28) = 100.000%  kept
          HN    HIS   22 - QG1   VAL   75   9.15 +/- 0.49   0.086% *  0.1920% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - QG1   VAL   75  12.16 +/- 0.51   0.016% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.47:
          HB2   CYS   21 - QG2   VAL   75   5.08 +/- 1.36  93.886% * 98.7151% (0.76   0.75   2.48) =  99.960%  kept
          QE    LYS+  81 - QG2   VAL   75   9.21 +/- 0.57   5.878% *  0.6032% (0.18   0.02   0.02) =   0.038%
          QE    LYS+ 111 - QG2   VAL   75  15.91 +/- 0.93   0.236% *  0.6817% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.55 A violated in 13 structures by 1.55 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.588, support = 0.75, residual support = 8.82:
          HZ3   TRP   27 - QG2   VAL   75   3.00 +/- 1.08  68.275% * 36.9740% (0.45   0.75   1.90) =  55.802%  kept
          HZ    PHE   45 - QG2   VAL   75   3.67 +/- 0.51  31.725% * 63.0260% (0.76   0.75  17.55) =  44.198%  kept
    Distance limit 3.26 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.94, residual support = 17.6:
          QE    PHE   45 - QG2   VAL   75   3.15 +/- 0.54  99.385% * 98.6852% (0.97   1.94  17.55) =  99.994%  kept
          QD    PHE   72 - QG2   VAL   75   7.89 +/- 0.47   0.550% *  1.0519% (1.00   0.02   0.02) =   0.006%
          HZ    PHE   72 - QG2   VAL   75  11.22 +/- 0.64   0.066% *  0.2629% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 0.749, residual support = 1.9:
          HE3   TRP   27 - QG2   VAL   75   3.22 +/- 0.66  94.932% * 88.3327% (0.80   0.75   1.90) =  99.835%  kept
          HN    THR   23 - QG2   VAL   75   5.98 +/- 0.76   3.616% *  2.8390% (0.97   0.02   0.02) =   0.122%
          QE    PHE   95 - QG2   VAL   75   7.75 +/- 0.99   1.158% *  2.8835% (0.98   0.02   0.02) =   0.040%
          HD2   HIS   22 - QG2   VAL   75   9.87 +/- 0.79   0.185% *  0.5822% (0.20   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   VAL   75  14.56 +/- 1.10   0.024% *  2.5517% (0.87   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   VAL   75  12.46 +/- 1.18   0.061% *  0.9080% (0.31   0.02   0.02) =   0.001%
          HN    LEU   67 - QG2   VAL   75  13.81 +/- 0.72   0.025% *  1.9030% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.12, residual support = 84.4:
          HN    VAL   75 - QG2   VAL   75   3.04 +/- 0.53  99.361% * 99.5900% (0.90   5.12  84.44) =  99.997%  kept
          HN    ASP-  78 - QG2   VAL   75   7.40 +/- 0.39   0.639% *  0.4100% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.16 +/- 0.50  98.455% * 48.3894% (0.61   0.02   0.02) =  98.354%  kept
          HN    VAL  108 - QG2   VAL   75  12.44 +/- 0.88   1.545% * 51.6106% (0.65   0.02   0.02) =   1.646%  kept
    Distance limit 3.88 A violated in 20 structures by 2.27 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.75, residual support = 36.2:
      O   HN    ASP-  76 - HB3   ASP-  76   3.05 +/- 0.34  99.998% * 99.4520% (0.15  10.0   3.75  36.15) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.35 +/- 0.53   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.71, residual support = 36.2:
      O   HN    ASP-  76 - HB2   ASP-  76   2.56 +/- 0.46  99.810% * 99.6604% (0.41  10.0   3.71  36.15) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   8.67 +/- 0.90   0.150% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  10.86 +/- 1.89   0.033% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.33 +/- 0.46   0.001% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  16.46 +/- 1.58   0.002% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.08 +/- 1.67   0.003% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.15 +/- 0.90   0.000% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  24.16 +/- 1.14   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  21.68 +/- 0.90   0.001% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 0.557, residual support = 0.557:
          HN    LEU   80 - HA    THR   77   4.36 +/- 0.60  99.538% * 87.2239% (0.38   0.56   0.56) =  99.973%  kept
          HN    CYS   53 - HA    THR   77  12.64 +/- 0.72   0.258% *  5.0599% (0.61   0.02   0.02) =   0.015%
          HN    THR   26 - HA    THR   77  12.78 +/- 0.64   0.191% *  5.3967% (0.65   0.02   0.02) =   0.012%
          HN    ALA   34 - HA    THR   77  20.26 +/- 0.80   0.013% *  2.3195% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 7 structures by 0.86 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.61, residual support = 28.3:
      O   HN    ASP-  78 - HA    THR   77   3.52 +/- 0.03  98.872% * 99.8470% (0.65  10.0   4.61  28.26) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.44 +/- 0.23   1.128% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.02, residual support = 37.8:
      O   HN    THR   77 - HA    THR   77   2.76 +/- 0.02 100.000% *100.0000% (0.53  10.0   4.02  37.75) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.25, residual support = 8.41:
        T QD    PHE   45 - QG2   THR   77   3.13 +/- 0.52 100.000% *100.0000% (0.80 10.00   2.25   8.41) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 11.4:
          HN    THR   46 - QG2   THR   77   3.02 +/- 0.34  98.467% * 98.1630% (0.87   3.60  11.41) =  99.993%  kept
          HN    MET   92 - QG2   THR   77   6.48 +/- 0.65   1.388% *  0.4322% (0.69   0.02   0.02) =   0.006%
          HN    LYS+  74 - QG2   THR   77   9.28 +/- 0.35   0.136% *  0.6168% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  14.99 +/- 1.10   0.008% *  0.3311% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  27.61 +/- 2.15   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.02, residual support = 37.8:
          HN    THR   77 - QG2   THR   77   1.99 +/- 0.13 100.000% *100.0000% (0.87   4.02  37.75) = 100.000%  kept
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 1.5, residual support = 8.18:
          HA    ALA   20 - HB2   LYS+  74   3.32 +/- 0.55  99.880% * 98.6222% (0.61   1.50   8.18) =  99.998%  kept
          HA    LEU   71 - HB2   LYS+  74  10.92 +/- 0.93   0.120% *  1.3778% (0.64   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.18:
          HA    ALA   20 - HB3   LYS+  74   2.46 +/- 0.51  99.976% * 99.2963% (0.76   2.96   8.18) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  10.59 +/- 0.59   0.024% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.7:
      O   HA    LYS+  74 - HB3   LYS+  74   2.97 +/- 0.05  99.987% * 99.8966% (0.80  10.0   6.20 187.75) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  14.06 +/- 0.41   0.009% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  16.25 +/- 1.05   0.004% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.1:
      O T HA    PRO   93 - HB2   PRO   93   2.47 +/- 0.21 100.000% * 99.9221% (0.49  10.0 10.00   5.98 132.15) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  20.12 +/- 1.80   0.000% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.441, support = 1.7, residual support = 1.58:
          HB3   MET   92 - HB3   PRO   93   5.16 +/- 0.61  24.255% * 75.1145% (0.41  1.00   1.82   1.70) =  93.199%  kept
          QG1   ILE   56 - HB3   PRO   93   4.52 +/- 2.06  70.394% *  1.8019% (0.90  1.00   0.02   0.02) =   6.488%  kept
          HB    ILE   89 - HB3   PRO   93  10.31 +/- 1.50   4.845% *  0.7541% (0.38  1.00   0.02   0.02) =   0.187%
        T HD2   LYS+ 111 - HB3   PRO   93  10.30 +/- 1.11   0.304% *  6.2013% (0.31 10.00   0.02   0.02) =   0.096%
        T HB2   LEU   73 - HB3   PRO   93  15.05 +/- 1.09   0.025% * 11.3751% (0.57 10.00   0.02   0.02) =   0.015%
          QD    LYS+ 106 - HB3   PRO   93  10.95 +/- 0.80   0.165% *  1.5355% (0.76  1.00   0.02   0.02) =   0.013%
          QD    LYS+  99 - HB3   PRO   93  19.01 +/- 0.97   0.006% *  1.6088% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PRO   93  19.33 +/- 0.85   0.005% *  1.6088% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 1 structures by 0.52 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.1:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.903% * 99.4465% (0.80  10.0   6.01 132.15) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   6.22 +/- 0.73   0.065% *  0.0853% (0.69   1.0   0.02   1.01) =   0.000%
          HB    VAL  108 - HB3   PRO   93   7.76 +/- 1.25   0.023% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93  10.05 +/- 1.60   0.004% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.92 +/- 0.84   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.34 +/- 1.60   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.96 +/- 1.28   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.84 +/- 1.80   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.75 +/- 0.99   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  34.35 +/- 2.23   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.1:
      O   HA    PRO   93 - HB3   PRO   93   2.56 +/- 0.21 100.000% *100.0000% (0.92  10.0   5.12 132.15) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   7.16 +/- 0.87 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.97 A violated in 19 structures by 3.19 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.902, support = 0.02, residual support = 8.91:
          QD1   ILE   19 - HG2   GLN   30   5.24 +/- 1.09  79.190% * 19.6388% (0.95   0.02  10.45) =  85.267%  kept
          QG1   VAL   43 - HG2   GLN   30   8.20 +/- 0.78   9.012% * 14.2607% (0.69   0.02   0.02) =   7.046%  kept
          QG1   VAL   41 - HG2   GLN   30   7.78 +/- 0.80   9.398% * 10.1053% (0.49   0.02   0.02) =   5.207%  kept
          QG2   VAL   18 - HG2   GLN   30  10.25 +/- 0.96   1.735% * 18.6188% (0.90   0.02   0.02) =   1.771%  kept
          QG2   THR   46 - HG2   GLN   30  12.74 +/- 0.74   0.516% * 20.0355% (0.97   0.02   0.02) =   0.567%  kept
          QD2   LEU  104 - HG2   GLN   30  15.63 +/- 0.96   0.149% * 17.3408% (0.84   0.02   0.02) =   0.141%
    Distance limit 3.69 A violated in 15 structures by 1.30 A, eliminated.
    Peak unassigned.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.97:
        T QG2   THR   26 - HG2   GLN   30   2.33 +/- 0.46  99.959% * 87.3618% (0.61 10.00   0.75   4.97) = 100.000%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.60 +/- 0.51   0.006% *  2.1746% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   GLN   30   9.66 +/- 0.65   0.031% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.34 +/- 0.65   0.001% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  23.36 +/- 1.16   0.000% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  23.23 +/- 1.54   0.000% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  17.20 +/- 2.05   0.001% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.89 +/- 1.03   0.001% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  26.69 +/- 1.09   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 6.97, residual support = 231.6:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.75 +/- 0.27  99.977% * 99.8036% (0.95  10.0 10.00   6.97 231.58) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  13.42 +/- 1.75   0.016% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  13.77 +/- 1.00   0.007% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.19, residual support = 231.6:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.56 +/- 0.23  99.997% * 99.8561% (0.73  10.0 10.00   6.19 231.58) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.97 +/- 0.85   0.001% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  16.32 +/- 1.64   0.002% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  30.10 +/- 2.12   0.000% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.66, residual support = 231.6:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.25 +/- 0.42  99.966% * 99.7523% (0.97  10.0   5.66 231.58) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  15.19 +/- 2.29   0.027% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.58 +/- 1.59   0.005% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  22.16 +/- 1.29   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  38.40 +/- 2.12   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 231.6:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.42 +/- 0.51  99.897% * 99.6310% (0.84  10.0   5.71 231.58) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.68 +/- 0.53   0.099% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  18.69 +/- 0.90   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.87 +/- 0.45   0.001% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  22.61 +/- 2.33   0.001% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.36 +/- 2.04   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  22.46 +/- 1.19   0.000% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  39.12 +/- 2.06   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.0, residual support = 4.69:
          HA    PHE   72 - HB    VAL   42   2.88 +/- 0.47  99.757% * 98.9187% (0.85   2.00   4.69) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   8.40 +/- 0.39   0.238% *  0.2247% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  20.82 +/- 0.94   0.001% *  0.6981% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.61 +/- 0.79   0.004% *  0.1586% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.47, residual support = 87.9:
      O   HN    VAL   42 - HB    VAL   42   2.38 +/- 0.19  95.866% * 85.2746% (0.80  10.0   5.49  88.48) =  99.298%  kept
          HN    LEU   73 - HB    VAL   42   4.32 +/- 0.52   3.999% * 14.4593% (0.80   1.0   3.39   1.36) =   0.702%  kept
          HN    ILE   19 - HB    VAL   42   7.35 +/- 0.58   0.125% *  0.0257% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.77 +/- 0.48   0.007% *  0.0598% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.64 +/- 0.67   0.002% *  0.0422% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.76 +/- 0.91   0.000% *  0.0602% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  21.13 +/- 0.91   0.000% *  0.0602% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  22.30 +/- 1.32   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.438, support = 1.58, residual support = 4.07:
          QD    PHE   60 - HB    VAL   42   7.00 +/- 1.13  10.772% * 88.2079% (0.66   2.00   4.91) =  58.508%  kept
          QD    PHE   55 - HB2   LYS+ 112   4.66 +/- 0.75  84.549% *  7.9515% (0.12   0.99   2.88) =  41.396%  kept
          HN    LYS+  66 - HB    VAL   42   8.74 +/- 0.58   3.139% *  0.3209% (0.24   0.02   0.02) =   0.062%
          HE3   TRP   27 - HB    VAL   42  10.20 +/- 0.81   1.126% *  0.2878% (0.22   0.02   0.02) =   0.020%
          QD    PHE   60 - HB2   LYS+ 112  12.64 +/- 1.11   0.277% *  0.6225% (0.47   0.02   0.02) =   0.011%
          HN    LYS+  81 - HB    VAL   42  19.43 +/- 0.62   0.022% *  1.1440% (0.86   0.02   0.02) =   0.002%
          QD    PHE   55 - HB    VAL   42  16.78 +/- 0.84   0.053% *  0.2284% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB2   LYS+ 112  16.92 +/- 1.44   0.052% *  0.2265% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   LYS+ 112  27.05 +/- 2.17   0.003% *  0.8073% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  24.41 +/- 1.10   0.005% *  0.2031% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 8 structures by 0.73 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.472, support = 0.761, residual support = 4.69:
        T QD    PHE   72 - HB    VAL   42   2.99 +/- 0.44  81.475% * 80.0412% (0.46 10.00   0.75   4.69) =  95.196%  kept
          HZ    PHE   72 - HB    VAL   42   4.13 +/- 0.52  18.322% * 17.9595% (0.78  1.00   0.99   4.69) =   4.803%  kept
          QE    PHE   45 - HB    VAL   42   8.47 +/- 0.49   0.193% *  0.1384% (0.30  1.00   0.02   0.02) =   0.000%
        T QD    PHE   72 - HB2   LYS+ 112  16.67 +/- 0.95   0.004% *  1.5064% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  17.43 +/- 1.14   0.003% *  0.2568% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  16.97 +/- 1.08   0.004% *  0.0977% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2273 (8.88, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA1   GLY  101   2.50 +/- 0.18  99.969% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101   9.68 +/- 0.84   0.031% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.92 +/- 0.06  99.934% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.03 +/- 0.59   0.066% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.19:
      O   HN    SER   13 - HA    ALA   12   2.59 +/- 0.37  99.996% * 99.9814% (0.84  10.0   1.72   5.19) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  15.25 +/- 0.75   0.004% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.5:
      O   HN    ALA   12 - HA    ALA   12   2.73 +/- 0.22  99.998% * 99.8617% (0.85  10.0   2.38  12.45) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  19.14 +/- 2.44   0.001% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.15 +/- 1.38   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  32.94 +/- 1.14   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.5:
      O   HN    ALA   12 - QB    ALA   12   2.76 +/- 0.24  99.993% * 99.7294% (0.46  10.0   2.29  12.45) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  15.12 +/- 2.32   0.006% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  20.50 +/- 1.76   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.10 +/- 1.89   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.48, residual support = 12.0:
      O   HN    ALA   12 - HA    MET   11   2.60 +/- 0.16  99.832% * 99.5700% (0.65  10.0   3.48  11.96) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.01 +/- 0.94   0.165% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  19.97 +/- 2.98   0.001% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  17.21 +/- 2.04   0.002% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.22 +/- 1.04   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.19 +/- 1.83   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.15 +/- 0.92   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  35.47 +/- 1.87   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.58, residual support = 12.0:
          HN    ALA   12 - HG3   MET   11   3.98 +/- 0.16  97.756% * 98.7291% (0.97   3.58  11.96) =  99.995%  kept
          HN    ALA   12 - HB3   GLU-  14   8.13 +/- 1.13   2.185% *  0.1958% (0.34   0.02   0.02) =   0.004%
          HN    ASN   35 - HB3   GLU-  14  15.59 +/- 2.34   0.044% *  0.1149% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  20.98 +/- 3.65   0.010% *  0.3235% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  21.71 +/- 1.17   0.004% *  0.0834% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  30.19 +/- 2.43   0.001% *  0.2349% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  27.51 +/- 1.05   0.001% *  0.0834% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  36.34 +/- 2.24   0.000% *  0.2349% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.09, residual support = 6.62:
      O   HN    GLU-  14 - HA    SER   13   2.38 +/- 0.15  99.981% * 99.1146% (0.92  10.0   2.09   6.62) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  14.25 +/- 2.28   0.003% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.30 +/- 0.33   0.004% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.39 +/- 0.69   0.004% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  13.97 +/- 0.49   0.003% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  17.45 +/- 1.85   0.001% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  17.87 +/- 2.16   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.94 +/- 0.85   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.33 +/- 0.36   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.49 +/- 0.67   0.000% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  20.90 +/- 1.46   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.81 +/- 0.47   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  19.65 +/- 1.95   0.000% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  22.37 +/- 1.25   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.46 +/- 0.67   0.000% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  23.73 +/- 0.88   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.91 +/- 1.14   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.53 +/- 1.66   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2281 (8.93, 4.41, 58.75 ppm):
    9 chemical-shift based assignments, quality = 0.625, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.95 +/- 0.97  16.895% * 21.8157% (0.99   0.02   0.02) =  32.959%  kept
          HN    LEU   73 - HA    THR   46  11.79 +/- 0.36  27.657% *  7.5418% (0.34   0.02   0.02) =  18.652%  kept
          HN    ILE   19 - HA    THR   46  13.11 +/- 0.47  14.839% * 13.2032% (0.60   0.02   0.02) =  17.521%  kept
          HN    VAL   42 - HA    SER   37  13.06 +/- 0.23  14.833% *  6.6588% (0.30   0.02   0.02) =   8.832%  kept
          HN    VAL   42 - HA    THR   46  14.55 +/- 0.17   7.793% *  7.5418% (0.34   0.02   0.02) =   5.255%  kept
          HN    LEU   73 - HA    SER   13  16.29 +/- 0.95   4.095% * 12.4613% (0.57   0.02   0.02) =   4.563%  kept
          HN    ILE   19 - HA    SER   37  16.16 +/- 0.80   4.363% * 11.6574% (0.53   0.02   0.02) =   4.549%  kept
          HN    VAL   42 - HA    SER   13  16.48 +/- 0.83   3.848% * 12.4613% (0.57   0.02   0.02) =   4.288%  kept
          HN    LEU   73 - HA    SER   37  15.42 +/- 0.57   5.677% *  6.6588% (0.30   0.02   0.02) =   3.381%  kept
    Distance limit 3.29 A violated in 20 structures by 6.21 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.43, residual support = 26.3:
      O   HN    SER   37 - HB3   SER   37   2.54 +/- 0.24  99.990% * 99.5355% (0.83  10.0   3.43  26.27) = 100.000%  kept
          HN    SER   37 - QB    SER   13  15.32 +/- 1.93   0.003% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  15.35 +/- 1.67   0.004% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  15.39 +/- 0.64   0.002% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.41 +/- 1.10   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.00 +/- 1.36   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  25.10 +/- 1.19   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  28.38 +/- 1.70   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.668, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  20.59 +/- 1.21  52.908% * 22.8936% (0.69   0.02   0.02) =  64.526%  kept
          HA    TRP   87 - HB3   GLU-  14  27.81 +/- 1.71   9.240% * 33.2545% (1.00   0.02   0.02) =  16.369%  kept
          HA    LEU  104 - HB3   GLU-  14  24.67 +/- 1.23  18.698% * 12.5086% (0.38   0.02   0.02) =  12.460%  kept
          HA    PHE   59 - HG3   MET   11  29.31 +/- 1.98   6.750% *  8.1279% (0.24   0.02   0.02) =   2.923%  kept
          HA    ASP- 113 - HB3   GLU-  14  30.34 +/- 1.04   5.117% *  5.1424% (0.15   0.02   0.02) =   1.402%  kept
          HA    TRP   87 - HG3   MET   11  36.32 +/- 3.08   1.956% * 11.8063% (0.35   0.02   0.02) =   1.231%  kept
          HA    LEU  104 - HG3   MET   11  32.20 +/- 2.59   4.106% *  4.4409% (0.13   0.02   0.02) =   0.971%  kept
          HA    ASP- 113 - HG3   MET   11  38.83 +/- 2.07   1.224% *  1.8257% (0.05   0.02   0.02) =   0.119%
    Distance limit 3.48 A violated in 20 structures by 15.00 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.9, residual support = 45.8:
      O   HN    GLU-  14 - HB3   GLU-  14   3.31 +/- 0.31  99.630% * 99.5831% (0.92  10.0   3.90  45.84) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.65 +/- 1.34   0.335% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  14.44 +/- 2.11   0.024% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  19.56 +/- 1.55   0.003% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  20.59 +/- 1.60   0.002% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  21.25 +/- 3.65   0.004% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  27.21 +/- 2.84   0.001% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  27.77 +/- 2.84   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  27.22 +/- 1.89   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  35.51 +/- 3.42   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.86, residual support = 45.8:
      O   HN    GLU-  14 - HB2   GLU-  14   3.15 +/- 0.41  99.770% * 99.3938% (0.49  10.0   3.86  45.84) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.57 +/- 1.42   0.212% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  16.29 +/- 2.10   0.010% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  20.35 +/- 1.33   0.002% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.44 +/- 1.61   0.002% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  21.34 +/- 3.60   0.002% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  22.29 +/- 2.14   0.001% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.11 +/- 2.79   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  27.92 +/- 2.70   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.39 +/- 0.70   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  28.41 +/- 1.57   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  31.88 +/- 0.86   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.05:
      O   HN    GLY   16 - HA    GLU-  15   2.57 +/- 0.18  99.978% * 99.5949% (0.97  10.0   2.07   6.05) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  11.69 +/- 1.67   0.018% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  15.90 +/- 2.30   0.003% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.79 +/- 0.90   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.55 +/- 0.77   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  22.54 +/- 0.80   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.68 +/- 0.89   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  22.61 +/- 0.78   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.35 +/- 0.79   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 94.5:
      O   HN    ASN   28 - HA    ASN   28   2.77 +/- 0.04  99.999% * 99.8927% (0.84  10.0   5.71  94.49) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.44 +/- 0.87   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 2.55, residual support = 17.1:
        T HB2   LEU   31 - HA    ASN   28   3.17 +/- 0.30  98.766% * 93.5437% (0.38 10.00   2.55  17.05) =  99.998%  kept
        T QB    ALA   84 - HA    ASN   28  12.35 +/- 0.68   0.036% *  2.4869% (1.00 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   7.84 +/- 0.66   0.599% *  0.0935% (0.38  1.00   0.02   0.97) =   0.001%
          HG    LEU   98 - HA    ASN   28  10.74 +/- 1.01   0.089% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   9.28 +/- 1.64   0.335% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  10.15 +/- 0.71   0.118% *  0.1311% (0.53  1.00   0.02   1.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  15.11 +/- 0.88   0.011% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  13.12 +/- 0.78   0.023% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  23.75 +/- 1.56   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  15.71 +/- 2.21   0.010% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.24 +/- 1.08   0.004% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  20.78 +/- 1.56   0.002% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  18.75 +/- 1.14   0.003% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.42 +/- 1.56   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  29.24 +/- 1.16   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  27.40 +/- 1.40   0.000% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 17.0:
          HG    LEU   31 - HA    ASN   28   3.21 +/- 0.88  97.173% * 97.1720% (0.61   3.00  17.05) =  99.976%  kept
          QD2   LEU   73 - HA    ASN   28   7.14 +/- 0.59   2.820% *  0.8162% (0.76   0.02   0.97) =   0.024%
          QD1   ILE   56 - HA    ASN   28  20.96 +/- 0.94   0.003% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.55 +/- 1.00   0.001% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  22.95 +/- 1.50   0.002% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.21:
      O   HN    GLY   16 - HA2   GLY   16   2.87 +/- 0.13  99.999% * 99.8461% (0.97  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  21.26 +/- 1.10   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.05 +/- 0.71   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA2   GLY   16   3.47 +/- 0.03  98.945% * 99.5709% (0.65  10.0   3.26  16.50) =  99.999%  kept
          HD21  ASN   69 - HA2   GLY   16   8.54 +/- 1.87   1.002% *  0.0690% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA2   GLY   16  12.59 +/- 0.75   0.046% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  24.00 +/- 1.25   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  18.68 +/- 1.28   0.005% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  25.79 +/- 0.86   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  27.29 +/- 0.93   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA1   GLY   16   3.22 +/- 0.04  99.036% * 99.5709% (0.65  10.0   3.26  16.50) =  99.999%  kept
          HD21  ASN   69 - HA1   GLY   16   7.78 +/- 1.53   0.915% *  0.0690% (0.45   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HA1   GLY   16  11.83 +/- 0.73   0.043% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  22.58 +/- 1.38   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  17.87 +/- 1.52   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  24.49 +/- 0.96   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.10 +/- 0.92   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.6, residual support = 5.21:
      O   HN    GLY   16 - HA1   GLY   16   2.32 +/- 0.14  99.999% * 99.6694% (0.57  10.0   2.60   5.21) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  20.11 +/- 0.98   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  26.05 +/- 0.78   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  20.45 +/- 1.99   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  24.74 +/- 1.09   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 84.3:
      O T HB3   GLN   17 - QG    GLN   17   2.31 +/- 0.09  98.343% * 99.0943% (0.58  10.0 10.00   4.31  84.34) =  99.999%  kept
          QB    LYS+  65 - QG    GLN   17   6.76 +/- 1.45   0.430% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB    VAL   70   6.71 +/- 1.02   0.779% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB    VAL   70   6.38 +/- 0.26   0.233% *  0.0260% (0.15   1.0  1.00   0.02  31.98) =   0.000%
          HB2   LEU   71 - QG    GLN   17   9.30 +/- 1.70   0.046% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  10.33 +/- 1.63   0.020% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.31 +/- 0.79   0.028% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   8.95 +/- 0.87   0.035% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.69 +/- 0.50   0.039% *  0.0066% (0.04   1.0  1.00   0.02   2.72) =   0.000%
          HB2   LYS+  99 - HB    VAL   70   9.54 +/- 1.29   0.034% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  13.39 +/- 1.68   0.004% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  12.97 +/- 1.06   0.004% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  18.73 +/- 1.20   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  19.49 +/- 1.23   0.000% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.05 +/- 1.40   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.37 +/- 1.35   0.003% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  18.72 +/- 1.68   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  20.01 +/- 1.24   0.000% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.49, support = 5.49, residual support = 83.8:
          HN    GLN   17 - QG    GLN   17   2.64 +/- 0.55  90.861% * 88.7298% (0.49   5.50  84.34) =  98.986%  kept
          HD21  ASN   69 - HB    VAL   70   5.26 +/- 1.40   8.616% *  9.5757% (0.07   4.18  26.18) =   1.013%  kept
          HN    GLN   17 - HB    VAL   70   7.81 +/- 1.48   0.384% *  0.0660% (0.10   0.02   0.02) =   0.000%
          HN    ALA   61 - QG    GLN   17  10.14 +/- 1.00   0.081% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  10.85 +/- 1.03   0.030% *  0.2235% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  12.27 +/- 1.00   0.018% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.50 +/- 1.44   0.004% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  20.87 +/- 1.05   0.001% *  0.3991% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  18.19 +/- 1.00   0.002% *  0.0818% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  21.77 +/- 0.87   0.000% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  22.83 +/- 1.06   0.000% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  16.85 +/- 0.85   0.002% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  21.00 +/- 0.73   0.001% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  23.53 +/- 0.81   0.000% *  0.0420% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 50.1:
          HN    VAL   18 - QG    GLN   17   3.73 +/- 0.26  98.728% * 99.7451% (0.76   5.81  50.08) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   8.81 +/- 0.89   0.772% *  0.0766% (0.17   0.02   0.02) =   0.001%
          HN    VAL   18 - HB    VAL   70   9.80 +/- 1.33   0.449% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.14 +/- 1.63   0.019% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  15.76 +/- 1.14   0.022% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.74 +/- 0.71   0.010% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.3:
      O   HN    GLN   17 - HB3   GLN   17   3.15 +/- 0.31  99.829% * 99.5709% (0.65  10.0   5.17  84.34) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  10.84 +/- 1.25   0.124% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  12.40 +/- 1.27   0.040% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.31 +/- 0.82   0.006% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  23.26 +/- 0.92   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  24.21 +/- 0.81   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  25.21 +/- 1.12   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   3.52 +/- 0.47  99.731% * 99.8372% (1.00   5.47  50.08) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.41 +/- 1.21   0.263% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  18.30 +/- 1.02   0.006% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.3:
      O T HB3   GLN   17 - HA    GLN   17   2.70 +/- 0.29  97.280% * 99.4149% (0.76  10.0 10.00   4.00  84.34) =  99.997%  kept
          QB    LYS+  65 - HA    GLN   17   5.64 +/- 1.21   2.504% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    GLN   17   8.23 +/- 0.73   0.156% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  10.06 +/- 1.49   0.050% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  13.95 +/- 1.33   0.006% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  19.64 +/- 1.17   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  19.48 +/- 1.32   0.001% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  17.49 +/- 1.62   0.002% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  19.20 +/- 1.83   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.3:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.545% * 94.0226% (0.18  10.0 10.00   4.00  84.34) =  99.998%  kept
        T HB3   GLN   17 - HB3   PRO   68   9.18 +/- 2.71   0.041% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - QB    GLU-  15   6.41 +/- 0.35   0.044% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   6.85 +/- 1.90   0.218% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   7.57 +/- 1.63   0.030% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   7.15 +/- 0.95   0.061% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   7.10 +/- 1.49   0.043% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   9.48 +/- 1.01   0.005% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.30 +/- 0.75   0.002% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.05 +/- 1.23   0.002% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.14 +/- 1.04   0.003% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  10.23 +/- 0.91   0.003% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  11.72 +/- 1.85   0.002% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.67 +/- 1.78   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  16.62 +/- 1.75   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.35 +/- 1.00   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  15.80 +/- 2.07   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  15.15 +/- 1.18   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  14.65 +/- 1.76   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.11 +/- 0.93   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  20.41 +/- 1.39   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  24.15 +/- 1.60   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  17.71 +/- 1.77   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.30 +/- 1.69   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.58 +/- 1.02   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  19.35 +/- 1.42   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  20.66 +/- 1.84   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.5:
      O   HA    PRO   68 - HB3   PRO   68   2.39 +/- 0.17  97.651% * 99.9155% (0.19  10.0   2.96  35.47) =  99.999%  kept
          HA    PRO   68 - QB    GLU-  15   5.52 +/- 1.41   2.228% *  0.0447% (0.08   1.0   0.02   0.02) =   0.001%
          HA    PRO   68 - HB2   GLN   17   8.74 +/- 2.15   0.122% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB2   GLN   17   2.45 +/- 0.34  99.350% * 97.9600% (0.24   5.47  50.08) =  99.999%  kept
          HN    VAL   18 - HB3   PRO   68  10.54 +/- 2.23   0.059% *  0.8982% (0.61   0.02   0.02) =   0.001%
          HN    VAL   18 - QB    GLU-  15   8.18 +/- 0.26   0.106% *  0.4018% (0.27   0.02   0.02) =   0.000%
          HN    SER   13 - QB    GLU-  15   6.94 +/- 0.88   0.456% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  13.37 +/- 2.25   0.009% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.46 +/- 1.05   0.017% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.35 +/- 1.87   0.003% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  18.12 +/- 0.72   0.001% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.56 +/- 1.17   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.57 +/- 0.07  99.999% * 99.9233% (0.84  10.0   5.47  50.08) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.48 +/- 0.90   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  24.02 +/- 0.72   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.44:
        T QB    ALA   64 - HA    GLN   17   3.14 +/- 0.87  99.342% * 97.4155% (0.69 10.00   1.22   2.44) =  99.992%  kept
        T QG1   VAL   42 - HA    GLN   17   8.21 +/- 0.51   0.640% *  1.1302% (0.49 10.00   0.02   0.02) =   0.007%
        T QB    ALA   47 - HA    GLN   17  16.84 +/- 0.87   0.015% *  1.4083% (0.61 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  20.23 +/- 2.06   0.003% *  0.0460% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 4 structures by 0.41 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.3:
      O   HN    VAL   18 - HB    VAL   18   2.61 +/- 0.46  99.996% * 99.9233% (0.84  10.0   4.99  77.28) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.42 +/- 0.72   0.003% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  20.21 +/- 1.13   0.001% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.493, support = 0.75, residual support = 2.31:
        T HB2   PHE   72 - HA    VAL   18   2.94 +/- 0.52  94.437% * 82.4014% (0.49 10.00   0.75   2.24) =  98.828%  kept
          HA    ALA   64 - HA    VAL   18   5.44 +/- 0.69   5.560% * 16.5936% (0.98  1.00   0.75   8.70) =   1.172%  kept
        T HB3   ASN   35 - HA    VAL   18  17.96 +/- 0.81   0.003% *  1.0051% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.9, residual support = 22.4:
      O   HN    ILE   19 - HA    VAL   18   2.23 +/- 0.04  99.332% * 99.7159% (0.73  10.0   4.90  22.42) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.46 +/- 0.60   0.599% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   7.66 +/- 0.56   0.069% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.60 +/- 0.72   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.337, support = 0.226, residual support = 2.18:
          QB    ALA   61 - QG1   VAL   18   4.18 +/- 1.26  76.271% * 11.8890% (0.15   0.23   3.54) =  61.406%  kept
          HG    LEU   73 - QG1   VAL   18   6.72 +/- 0.89  10.716% * 47.3459% (0.61   0.24   0.02) =  34.356%  kept
          HG    LEU   67 - QG1   VAL   18   8.72 +/- 2.40   7.660% *  6.5723% (1.00   0.02   0.02) =   3.409%  kept
          HB3   LEU   67 - QG1   VAL   18   8.56 +/- 1.76   3.974% *  1.6425% (0.25   0.02   0.02) =   0.442%
          HG    LEU   40 - QG1   VAL   18  11.10 +/- 1.19   0.282% *  6.5286% (0.99   0.02   0.02) =   0.125%
          QG    LYS+  66 - QG1   VAL   18   9.42 +/- 0.91   0.551% *  2.7079% (0.41   0.02   0.02) =   0.101%
          HB3   LEU  115 - QG1   VAL   18  11.88 +/- 0.98   0.133% *  6.5286% (0.99   0.02   0.02) =   0.059%
          HB3   LEU   40 - QG1   VAL   18  11.53 +/- 1.20   0.231% *  2.9531% (0.45   0.02   0.02) =   0.046%
          HG    LEU  115 - QG1   VAL   18  12.43 +/- 1.23   0.101% *  4.5246% (0.69   0.02   0.02) =   0.031%
          QB    ALA  120 - QG1   VAL   18  13.34 +/- 1.00   0.067% *  4.5246% (0.69   0.02   0.02) =   0.021%
          HG2   LYS+ 102 - QG1   VAL   18  17.82 +/- 1.27   0.013% *  4.7831% (0.73   0.02   0.02) =   0.004%
    Distance limit 2.84 A violated in 8 structures by 0.92 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 2.96, residual support = 9.31:
        T QB    ALA   34 - QG1   VAL   41   1.98 +/- 0.34  99.830% * 97.8928% (0.49 10.00   2.96   9.31) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.42 +/- 0.41   0.007% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.51 +/- 0.77   0.064% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.35 +/- 0.89   0.032% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  13.40 +/- 0.83   0.002% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  11.20 +/- 1.27   0.007% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18  10.27 +/- 1.09   0.009% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  11.74 +/- 0.51   0.004% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.74 +/- 0.62   0.002% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.22 +/- 0.66   0.027% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  14.12 +/- 0.78   0.001% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  15.86 +/- 1.15   0.001% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.31 +/- 1.12   0.009% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.94 +/- 0.89   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.36 +/- 0.82   0.002% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  14.81 +/- 0.86   0.001% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  13.58 +/- 1.20   0.001% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  17.18 +/- 0.98   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 73.8:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  82.076% * 94.4665% (0.84  10.0 10.00   3.89  73.84) =  99.932%  kept
          HB3   GLN   17 - QG2   VAL   18   4.95 +/- 0.86   1.252% *  3.5648% (0.15   1.0  1.00   4.17  50.08) =   0.058%
          HB2   LEU   71 - QG1   VAL   41   4.09 +/- 1.23   9.699% *  0.0777% (0.69   1.0  1.00   0.02   2.75) =   0.010%
          QB    LYS+  65 - QG2   VAL   18   5.85 +/- 1.83   0.554% *  0.0628% (0.55   1.0  1.00   0.02   0.15) =   0.000%
          QB    LYS+ 102 - QD2   LEU  104   3.61 +/- 0.67   5.544% *  0.0051% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   7.29 +/- 1.74   0.102% *  0.0777% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   7.35 +/- 0.99   0.075% *  0.0945% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   7.86 +/- 1.26   0.047% *  0.0834% (0.74   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   7.76 +/- 1.29   0.076% *  0.0507% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  11.16 +/- 0.84   0.004% *  0.7219% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.29 +/- 0.76   0.531% *  0.0042% (0.04   1.0  1.00   0.02  37.25) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   9.14 +/- 0.55   0.014% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  11.50 +/- 0.86   0.004% *  0.1091% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  13.24 +/- 0.97   0.002% *  0.0847% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  13.04 +/- 0.54   0.002% *  0.0821% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.78 +/- 1.71   0.001% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  13.91 +/- 1.55   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.67 +/- 1.33   0.002% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.09 +/- 0.60   0.000% *  0.0722% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.81 +/- 0.85   0.000% *  0.1109% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  16.05 +/- 1.40   0.001% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.07 +/- 1.36   0.006% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  11.72 +/- 1.36   0.004% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  15.81 +/- 0.80   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  13.34 +/- 0.97   0.001% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.83 +/- 1.28   0.001% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  21.51 +/- 0.59   0.000% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.22 +/- 1.20   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.82 +/- 1.66   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.00 +/- 1.04   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.659, support = 1.56, residual support = 7.25:
          HG2   LYS+  65 - QG2   VAL   18   5.10 +/- 3.03  56.594% *  8.5354% (0.76   0.23   0.15) =  58.406%  kept
          HB3   LEU   40 - QG1   VAL   41   5.25 +/- 0.34   3.719% * 83.5996% (0.46   3.79  18.90) =  37.591%  kept
          HB2   LYS+  74 - QG2   VAL   18   5.29 +/- 2.09  34.140% *  0.9445% (0.99   0.02   1.36) =   3.899%  kept
          HB3   LEU   40 - QD2   LEU  104   6.71 +/- 1.70   3.103% *  0.0888% (0.09   0.02   0.02) =   0.033%
          HD2   LYS+ 121 - QD2   LEU  104   8.30 +/- 1.70   1.563% *  0.1006% (0.11   0.02   0.02) =   0.019%
          QG2   THR   26 - QG1   VAL   41   8.37 +/- 0.72   0.229% *  0.6083% (0.64   0.02   0.02) =   0.017%
          QG2   THR   26 - QG2   VAL   18   8.65 +/- 0.89   0.167% *  0.7960% (0.84   0.02   0.02) =   0.016%
          QD    LYS+  66 - QG2   VAL   18   9.21 +/- 1.52   0.212% *  0.2941% (0.31   0.02   0.02) =   0.008%
          HB2   LYS+  74 - QG1   VAL   41  11.34 +/- 1.06   0.036% *  0.7218% (0.76   0.02   0.02) =   0.003%
          HB3   LEU   40 - QG2   VAL   18  11.82 +/- 0.88   0.030% *  0.5780% (0.61   0.02   0.02) =   0.002%
          HG    LEU  115 - QG2   VAL   18  12.29 +/- 1.62   0.029% *  0.3577% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG1   VAL   41  13.38 +/- 1.70   0.019% *  0.5003% (0.52   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  14.03 +/- 1.07   0.012% *  0.5566% (0.58   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  12.99 +/- 1.02   0.017% *  0.3577% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  15.10 +/- 1.66   0.008% *  0.6546% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.68 +/- 0.85   0.059% *  0.0550% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.48 +/- 0.92   0.012% *  0.2248% (0.24   0.02   0.02) =   0.000%
          QB    ALA  120 - QG1   VAL   41  14.09 +/- 0.67   0.010% *  0.2733% (0.29   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  16.72 +/- 1.01   0.004% *  0.2733% (0.29   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.76 +/- 0.92   0.007% *  0.1223% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.52 +/- 1.46   0.015% *  0.0452% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  16.53 +/- 1.43   0.004% *  0.1451% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  14.74 +/- 0.96   0.008% *  0.0550% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.77 +/- 1.38   0.004% *  0.1119% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.985, residual support = 3.54:
        T HA    ALA   61 - QG2   VAL   18   3.29 +/- 1.86  92.807% * 97.7237% (0.87 10.00   0.99   3.54) =  99.986%  kept
          HD2   PRO   68 - QG2   VAL   18   9.92 +/- 1.09   1.616% *  0.2241% (0.98  1.00   0.02   0.02) =   0.004%
        T HA    ALA   61 - QG1   VAL   41  12.80 +/- 0.77   0.235% *  1.5157% (0.66 10.00   0.02   0.02) =   0.004%
          HD2   PRO   68 - QG1   VAL   41  11.09 +/- 1.12   1.725% *  0.1713% (0.75  1.00   0.02   0.02) =   0.003%
          HA    VAL   24 - QG2   VAL   18  12.49 +/- 1.29   1.150% *  0.1113% (0.49  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QG1   VAL   41  10.40 +/- 0.95   1.368% *  0.0851% (0.37  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QD2   LEU  104  12.73 +/- 2.15   0.507% *  0.0344% (0.15  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   18   9.80 +/- 1.35   0.370% *  0.0452% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  15.58 +/- 1.32   0.074% *  0.0305% (0.13  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  17.91 +/- 0.69   0.041% *  0.0346% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  16.38 +/- 1.21   0.070% *  0.0171% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  18.20 +/- 0.97   0.037% *  0.0070% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 3 structures by 0.80 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.18, residual support = 73.8:
      O T HA    VAL   41 - QG1   VAL   41   2.58 +/- 0.36  99.531% * 98.8372% (0.65  10.0 10.00   4.18  73.84) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18   9.53 +/- 0.57   0.058% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   8.73 +/- 1.22   0.107% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.48 +/- 1.05   0.119% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.12 +/- 0.43   0.013% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  11.93 +/- 1.00   0.014% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   8.26 +/- 1.07   0.147% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  13.91 +/- 1.26   0.007% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.01 +/- 0.95   0.003% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.999, support = 1.17, residual support = 3.5:
          QD    PHE   60 - QG1   VAL   18   4.21 +/- 1.00  93.272% * 97.1120% (1.00   1.17   3.50) =  99.932%  kept
          HN    LYS+  66 - QG1   VAL   18   7.94 +/- 0.97   4.612% *  1.1370% (0.69   0.02   0.02) =   0.058%
          QE    PHE   59 - QG1   VAL   18   8.74 +/- 1.86   1.978% *  0.3685% (0.22   0.02   0.02) =   0.008%
          HN    LYS+  81 - QG1   VAL   18  14.43 +/- 0.94   0.137% *  1.3825% (0.84   0.02   0.02) =   0.002%
    Distance limit 2.99 A violated in 11 structures by 1.24 A, kept.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 77.3:
          HN    VAL   18 - QG1   VAL   18   3.47 +/- 0.27  99.965% * 99.8233% (0.92   5.49  77.28) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  13.39 +/- 0.87   0.035% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 1.36, residual support = 1.36:
          HN    LYS+  74 - QG1   VAL   18   4.47 +/- 0.94  96.454% * 91.6892% (0.31   1.36   1.36) =  99.874%  kept
          HN    THR   46 - QG1   VAL   18   8.27 +/- 0.60   3.363% *  3.1746% (0.73   0.02   0.02) =   0.121%
          HN    MET   92 - QG1   VAL   18  15.11 +/- 0.80   0.103% *  3.9207% (0.90   0.02   0.02) =   0.005%
          HN    ASP- 113 - QG1   VAL   18  16.97 +/- 0.96   0.080% *  1.2155% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 11 structures by 1.11 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.9, residual support = 22.4:
          HN    ILE   19 - QG1   VAL   18   2.87 +/- 0.28  90.665% * 99.8070% (0.84   4.90  22.42) =  99.990%  kept
          HN    LEU   73 - QG1   VAL   18   4.78 +/- 0.89   8.851% *  0.0965% (0.20   0.02   0.02) =   0.009%
          HN    VAL   42 - QG1   VAL   18   7.31 +/- 0.84   0.484% *  0.0965% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.803, support = 2.36, residual support = 3.46:
          QD    PHE   60 - QG2   VAL   18   4.50 +/- 1.14  82.887% * 87.7362% (0.80   2.39   3.50) =  98.801%  kept
          HN    LYS+  66 - QG2   VAL   18   6.95 +/- 1.57   9.968% *  8.5905% (0.98   0.19   0.02) =   1.163%  kept
          QE    PHE   59 - QG2   VAL   18   8.88 +/- 1.62   1.885% *  0.5190% (0.57   0.02   0.02) =   0.013%
          QD    PHE   60 - QG1   VAL   41  10.88 +/- 0.91   0.781% *  0.5609% (0.61   0.02   0.02) =   0.006%
          HN    LYS+  66 - QG1   VAL   41  12.53 +/- 0.69   0.547% *  0.6866% (0.75   0.02   0.02) =   0.005%
          HN    PHE   59 - QG2   VAL   18   8.94 +/- 1.44   1.635% *  0.2041% (0.22   0.02   0.02) =   0.005%
          QE    PHE   59 - QG1   VAL   41  12.18 +/- 1.91   0.518% *  0.3966% (0.43   0.02   0.02) =   0.003%
          HN    LYS+  81 - QG2   VAL   18  15.84 +/- 1.75   0.280% *  0.4110% (0.45   0.02   0.02) =   0.002%
          QE    PHE   59 - QD2   LEU  104  11.16 +/- 1.49   0.751% *  0.0797% (0.09   0.02   0.02) =   0.001%
          QD    PHE   60 - QD2   LEU  104  12.92 +/- 1.29   0.311% *  0.1128% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  16.39 +/- 0.79   0.104% *  0.3141% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD2   LEU  104  13.98 +/- 1.41   0.190% *  0.1381% (0.15   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  16.55 +/- 0.78   0.064% *  0.1560% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  16.72 +/- 1.02   0.058% *  0.0314% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  20.56 +/- 1.15   0.022% *  0.0631% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 11 structures by 1.35 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.26, residual support = 77.3:
          HN    VAL   18 - QG2   VAL   18   2.25 +/- 0.60  99.640% * 98.1406% (0.61   5.26  77.28) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   7.34 +/- 0.56   0.249% *  0.1173% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.25 +/- 0.49   0.060% *  0.3417% (0.55   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  11.77 +/- 1.06   0.012% *  0.2854% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  14.12 +/- 0.99   0.007% *  0.4472% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.38 +/- 0.91   0.016% *  0.1535% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  14.16 +/- 0.79   0.005% *  0.1452% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  17.06 +/- 1.47   0.003% *  0.1901% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  16.59 +/- 0.96   0.002% *  0.0687% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  16.56 +/- 1.47   0.002% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.05 +/- 0.93   0.003% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.13 +/- 1.29   0.002% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.47, residual support = 73.8:
          HN    VAL   41 - QG1   VAL   41   2.48 +/- 0.48  98.461% * 98.4699% (0.14   4.47  73.84) =  99.999%  kept
          HN    VAL   41 - QD2   LEU  104   6.27 +/- 1.00   1.292% *  0.0236% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.54 +/- 0.26   0.218% *  0.0346% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  12.21 +/- 0.71   0.009% *  0.6436% (0.20   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.57 +/- 0.48   0.016% *  0.3364% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.98 +/- 0.75   0.003% *  0.4919% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 86.8:
          HN    VAL   83 - QG1   VAL   83   2.66 +/- 0.42  99.933% * 98.5342% (0.36   5.34  86.78) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83  10.08 +/- 0.73   0.054% *  0.1778% (0.17   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.39 +/- 0.80   0.007% *  0.7793% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  14.21 +/- 0.81   0.007% *  0.5086% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.447, residual support = 0.563:
        T QG2   VAL   24 - QG1   VAL   83   2.64 +/- 0.73  61.578% * 61.0920% (0.46 10.00   0.26   0.56) =  78.247%  kept
          QG1   VAL   24 - QG1   VAL   83   3.23 +/- 1.04  38.417% * 27.2219% (0.46  1.00   1.14   0.56) =  21.752%  kept
        T QG1   VAL  107 - QG1   VAL   83  12.94 +/- 0.87   0.004% *  7.8957% (0.75 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QG1   VAL   83  15.94 +/- 1.15   0.001% *  3.4162% (0.33 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG1   VAL   83  21.83 +/- 1.12   0.000% *  0.3742% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.516, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.02 +/- 0.32  13.328% * 27.9530% (0.14 10.00   0.02   0.02) =  33.903%  kept
          HB3   PHE   97 - HA    ILE   19  16.43 +/- 1.35  12.991% * 19.0666% (0.92  1.00   0.02   0.02) =  22.541%  kept
          HB2   PRO   58 - HA    ILE   19  16.87 +/- 1.77  11.731% * 19.0666% (0.92  1.00   0.02   0.02) =  20.355%  kept
          QG    GLU-  79 - HA    ILE   19  12.61 +/- 0.88  57.025% *  3.1869% (0.15  1.00   0.02   0.02) =  16.538%  kept
          HB2   GLU- 100 - HA    ILE   19  20.11 +/- 0.67   3.491% * 14.1878% (0.69  1.00   0.02   0.02) =   4.508%  kept
          HB2   GLN  116 - HA    ILE   19  23.39 +/- 1.17   1.432% * 16.5389% (0.80  1.00   0.02   0.02) =   2.156%  kept
    Distance limit 3.68 A violated in 20 structures by 7.72 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.05, residual support = 25.4:
      O   HN    ALA   20 - HA    ILE   19   2.27 +/- 0.05  99.997% * 99.9363% (0.73  10.0   5.05  25.44) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.12 +/- 0.43   0.003% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  21.83 +/- 1.79   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2331 (8.93, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.79, residual support = 175.4:
      O   HN    ILE   19 - HA    ILE   19   2.92 +/- 0.02  99.496% * 99.8764% (0.98  10.0   6.79 175.42) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.25 +/- 0.32   0.439% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19  10.01 +/- 0.61   0.065% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   3.30 +/- 0.72 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.01, residual support = 175.4:
      O   HN    ILE   19 - HB    ILE   19   2.48 +/- 0.24  98.215% * 99.6598% (0.65  10.0   6.01 175.42) =  99.997%  kept
          HN    LEU   73 - HB    ILE   19   5.32 +/- 0.64   1.636% *  0.1487% (0.97   1.0   0.02   4.00) =   0.002%
          HN    VAL   42 - HB    ILE   19   7.67 +/- 0.76   0.149% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  19.29 +/- 0.79   0.001% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 175.4:
      O   HG13  ILE   19 - QG2   ILE   19   2.88 +/- 0.23  98.120% * 98.1968% (0.28  10.0   4.89 175.42) =  99.996%  kept
          QB    ALA   34 - QG2   ILE   19   7.27 +/- 0.67   0.511% *  0.3501% (0.99   1.0   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   ILE   19   7.83 +/- 0.37   0.277% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   THR   39 - QG2   ILE   19   7.83 +/- 0.87   0.328% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   6.94 +/- 0.82   0.733% *  0.0478% (0.14   1.0   0.02   8.15) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  12.76 +/- 0.95   0.015% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.83 +/- 1.03   0.007% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  16.86 +/- 0.66   0.003% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  14.77 +/- 1.15   0.007% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 175.4:
      O   HG12  ILE   19 - QG2   ILE   19   2.86 +/- 0.33  89.273% * 99.0974% (0.95  10.0  1.00   5.44 175.42) =  99.994%  kept
          HG    LEU   73 - QG2   ILE   19   5.23 +/- 1.04   6.362% *  0.0551% (0.53   1.0  1.00   0.02   4.00) =   0.004%
          HB3   LYS+  74 - QG2   ILE   19   5.34 +/- 0.68   3.991% *  0.0393% (0.38   1.0  1.00   0.02   8.15) =   0.002%
          QB    ALA   61 - QG2   ILE   19   9.07 +/- 1.16   0.131% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  10.57 +/- 1.30   0.061% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   ILE   19  10.24 +/- 1.11   0.061% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  10.67 +/- 1.20   0.063% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  10.94 +/- 0.78   0.037% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.07 +/- 0.85   0.013% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  16.48 +/- 0.95   0.003% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.35 +/- 1.38   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.98 +/- 1.61   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.89, residual support = 175.4:
      O   HB    ILE   19 - QG2   ILE   19   2.13 +/- 0.01  93.077% * 99.2447% (0.80  10.0   4.89 175.42) =  99.998%  kept
          HG3   GLN   30 - QG2   ILE   19   4.21 +/- 1.05   6.738% *  0.0276% (0.22   1.0   0.02  10.45) =   0.002%
          QB    GLU-  15 - QG2   ILE   19   7.11 +/- 0.86   0.086% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE   19   6.94 +/- 0.52   0.085% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19  10.09 +/- 0.40   0.008% *  0.1237% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  12.24 +/- 1.36   0.003% *  0.0702% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  13.11 +/- 0.76   0.002% *  0.0900% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.40 +/- 1.03   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.70 +/- 1.03   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 1.5, residual support = 10.4:
          HG2   GLN   30 - QG2   ILE   19   4.10 +/- 0.61  99.469% * 95.1903% (0.65   1.50  10.45) =  99.995%  kept
          HB3   ASN   28 - QG2   ILE   19  10.61 +/- 0.63   0.377% *  0.8066% (0.41   0.02   0.02) =   0.003%
          HB3   HIS  122 - QG2   ILE   19  15.27 +/- 0.90   0.053% *  1.7019% (0.87   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QG2   ILE   19  17.47 +/- 1.76   0.028% *  1.9576% (1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - QG2   ILE   19  14.23 +/- 0.62   0.072% *  0.3436% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 4 structures by 0.48 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 175.4:
      O   HA    ILE   19 - QG2   ILE   19   2.53 +/- 0.30  99.961% * 99.7522% (0.92  10.0   5.75 175.42) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19  10.15 +/- 0.52   0.035% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  16.41 +/- 0.97   0.002% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  16.41 +/- 0.63   0.002% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.68, residual support = 25.4:
          HN    ALA   20 - QG2   ILE   19   2.52 +/- 0.39  99.977% * 97.9087% (0.31   3.68  25.44) = 100.000%  kept
          HN    PHE   45 - QG2   ILE   19  11.38 +/- 0.71   0.022% *  1.2520% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QG2   ILE   19  19.02 +/- 1.40   0.001% *  0.8393% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 175.3:
          HN    ILE   19 - QG2   ILE   19   3.56 +/- 0.32  92.749% * 98.8290% (0.65   5.76 175.42) =  99.960%  kept
          HN    LEU   73 - QG2   ILE   19   5.74 +/- 0.77   6.240% *  0.5118% (0.97   0.02   4.00) =   0.035%
          HN    VAL   42 - QG2   ILE   19   7.78 +/- 0.97   1.003% *  0.5118% (0.97   0.02   0.02) =   0.006%
          HN    LYS+ 106 - QG2   ILE   19  17.49 +/- 0.86   0.007% *  0.1474% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.474, support = 0.0198, residual support = 0.0198:
          QD2   LEU   67 - HG13  ILE   19   9.90 +/- 2.64  16.650% * 39.2581% (0.69   0.02   0.02) =  56.298%  kept
          QD1   LEU   40 - HG13  ILE   19  10.84 +/- 1.02   7.362% * 23.4959% (0.41   0.02   0.02) =  14.898%  kept
          QD2   LEU   67 - HG    LEU   71   8.73 +/- 2.00  27.019% *  5.6275% (0.10   0.02   0.02) =  13.096%  kept
          QD1   LEU   40 - HG    LEU   71   7.88 +/- 0.60  43.475% *  3.3680% (0.06   0.02   0.02) =  12.611%  kept
          QG2   ILE  119 - HG13  ILE   19  14.13 +/- 1.23   1.545% * 15.8904% (0.28   0.02   0.02) =   2.115%  kept
          QD1   ILE  103 - HG13  ILE   19  16.04 +/- 1.27   0.649% *  8.8183% (0.15   0.02   0.02) =   0.493%
          QG2   ILE  119 - HG    LEU   71  14.10 +/- 1.06   1.480% *  2.2778% (0.04   0.02   0.02) =   0.290%
          QD1   ILE  103 - HG    LEU   71  13.61 +/- 1.17   1.821% *  1.2641% (0.02   0.02   0.02) =   0.198%
    Distance limit 2.94 A violated in 20 structures by 3.68 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 6.01, residual support = 175.4:
          HN    ILE   19 - HG13  ILE   19   3.26 +/- 0.79  87.525% * 98.6707% (0.65   6.01 175.42) =  99.985%  kept
          HN    LEU   73 - HG13  ILE   19   7.07 +/- 1.01   0.970% *  0.4901% (0.97   0.02   4.00) =   0.006%
          HN    VAL   42 - HG    LEU   71   6.57 +/- 0.78   4.171% *  0.0703% (0.14   0.02   2.39) =   0.003%
          HN    ILE   19 - HG    LEU   71   7.22 +/- 1.41   4.640% *  0.0471% (0.09   0.02   0.02) =   0.003%
          HN    LEU   73 - HG    LEU   71   7.41 +/- 1.13   2.422% *  0.0703% (0.14   0.02   0.02) =   0.002%
          HN    VAL   42 - HG13  ILE   19   8.90 +/- 1.23   0.266% *  0.4901% (0.97   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG13  ILE   19  20.56 +/- 1.31   0.002% *  0.1412% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  18.89 +/- 0.64   0.004% *  0.0202% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 10.4:
          HE22  GLN   30 - QG2   ILE   19   3.76 +/- 0.81  99.526% * 97.3475% (0.41   2.13  10.45) =  99.996%  kept
          HD22  ASN   69 - QG2   ILE   19  12.88 +/- 0.82   0.096% *  2.2135% (1.00   0.02   0.02) =   0.002%
          QE    PHE   45 - QG2   ILE   19  10.29 +/- 1.05   0.379% *  0.4390% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.91 A violated in 2 structures by 0.26 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.01, residual support = 10.4:
          HE21  GLN   30 - QG2   ILE   19   3.12 +/- 0.65  99.507% * 97.4205% (1.00   2.01  10.45) =  99.996%  kept
          HD1   TRP   27 - QG2   ILE   19   8.57 +/- 0.89   0.452% *  0.8418% (0.87   0.02   0.02) =   0.004%
          QD    PHE   59 - QG2   ILE   19  13.18 +/- 1.24   0.039% *  0.8418% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  21.64 +/- 1.72   0.002% *  0.8958% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 1.37, residual support = 10.4:
          HE22  GLN   30 - QD1   ILE   19   4.30 +/- 0.96  99.860% * 90.4898% (0.25   1.37  10.45) =  99.996%  kept
          HN    CYS   50 - QD1   ILE   19  18.51 +/- 0.75   0.035% *  4.2573% (0.80   0.02   0.02) =   0.002%
          HN    VAL   83 - QD1   ILE   19  15.27 +/- 1.10   0.078% *  1.8136% (0.34   0.02   0.02) =   0.002%
          HN    TRP   49 - QD1   ILE   19  19.38 +/- 0.76   0.027% *  3.4394% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 4 structures by 0.49 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  17.63 +/- 1.08 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.84 A violated in 20 structures by 13.79 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 25.4:
          HA    ILE   19 - QB    ALA   20   3.84 +/- 0.04  99.709% * 98.7248% (0.92   3.85  25.44) =  99.998%  kept
          HA    GLU-  25 - QB    ALA   20  10.68 +/- 0.29   0.219% *  0.5560% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  14.32 +/- 1.20   0.045% *  0.3819% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  15.30 +/- 0.64   0.026% *  0.3372% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 0.0199, residual support = 7.4:
          QE    LYS+  74 - QB    ALA   20   5.31 +/- 1.25  84.926% * 25.4326% (0.90   0.02   8.18) =  90.359%  kept
          HB2   PHE   72 - QB    ALA   20   7.87 +/- 0.63  11.303% * 16.0552% (0.57   0.02   0.02) =   7.592%  kept
          QB    CYS   50 - QB    ALA   20  11.25 +/- 1.06   1.246% * 26.1780% (0.92   0.02   0.02) =   1.365%  kept
          HB3   ASP-  78 - QB    ALA   20  10.52 +/- 0.49   2.354% *  4.9664% (0.18   0.02   0.02) =   0.489%
          HB3   ASN   69 - QB    ALA   20  15.97 +/- 0.56   0.170% * 27.3678% (0.97   0.02   0.02) =   0.195%
    Distance limit 3.52 A violated in 13 structures by 1.68 A, kept.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.831, support = 1.88, residual support = 3.71:
          HD2   HIS   22 - QB    ALA   20   4.80 +/- 0.14  56.292% * 69.9914% (0.92   2.03   4.73) =  76.784%  kept
          HN    THR   23 - QB    ALA   20   5.05 +/- 0.33  42.958% * 27.7238% (0.53   1.41   0.34) =  23.210%  kept
          QE    PHE   95 - QB    ALA   20  11.10 +/- 1.27   0.479% *  0.3640% (0.49   0.02   0.02) =   0.003%
          HN    LEU   67 - QB    ALA   20  13.14 +/- 0.69   0.142% *  0.6707% (0.90   0.02   0.02) =   0.002%
          HD1   TRP   49 - QB    ALA   20  15.29 +/- 0.82   0.057% *  0.7412% (0.99   0.02   0.02) =   0.001%
          HD21  ASN   35 - QB    ALA   20  16.57 +/- 0.87   0.034% *  0.3935% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  16.64 +/- 1.49   0.039% *  0.1154% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.63, residual support = 14.3:
          HN    CYS   21 - QB    ALA   20   3.60 +/- 0.01  99.905% * 99.0671% (0.95   3.63  14.27) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.42 +/- 0.40   0.060% *  0.3501% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  15.83 +/- 0.79   0.015% *  0.1781% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.24 +/- 1.23   0.007% *  0.3037% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.89 +/- 0.51   0.014% *  0.1011% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.22 +/- 0.11  99.989% * 99.6086% (0.31  10.0   3.73  15.23) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.61 +/- 0.78   0.011% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.01 +/- 1.67   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.509, support = 0.0198, residual support = 0.0198:
          HB    VAL   41 - HB2   CYS   21  10.67 +/- 1.44  30.323% *  9.0526% (0.65   0.02   0.02) =  44.169%  kept
          QB    LYS+  33 - HB2   CYS   21   9.82 +/- 0.67  45.105% *  4.7734% (0.34   0.02   0.02) =  34.643%  kept
          HG12  ILE  103 - HB2   CYS   21  15.47 +/- 2.61   3.696% * 11.2053% (0.80   0.02   0.02) =   6.663%  kept
          QB    LYS+  81 - HB2   CYS   21  12.92 +/- 1.10   9.751% *  3.1155% (0.22   0.02   0.02) =   4.888%  kept
          QB    LYS+  66 - HB2   CYS   21  16.64 +/- 1.21   1.900% *  6.2738% (0.45   0.02   0.02) =   1.918%  kept
          HB    ILE  103 - HB2   CYS   21  17.98 +/- 2.29   1.367% *  7.3624% (0.53   0.02   0.02) =   1.619%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.30 +/- 1.46   3.229% *  2.7693% (0.20   0.02   0.02) =   1.439%  kept
          HG3   PRO   68 - HB2   CYS   21  19.88 +/- 1.09   0.665% *  7.9226% (0.57   0.02   0.02) =   0.847%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.34 +/- 1.91   0.800% *  6.2738% (0.45   0.02   0.02) =   0.808%  kept
          HB3   PRO   52 - HB2   CYS   21  22.31 +/- 1.14   0.334% * 13.7167% (0.98   0.02   0.02) =   0.737%  kept
          HB3   GLN   90 - HB2   CYS   21  18.79 +/- 1.83   1.135% *  3.8908% (0.28   0.02   0.02) =   0.710%  kept
          HG2   ARG+  54 - HB2   CYS   21  20.77 +/- 1.79   0.553% *  6.8115% (0.49   0.02   0.02) =   0.607%  kept
          HG    LEU  123 - HB2   CYS   21  23.93 +/- 1.46   0.223% * 13.7167% (0.98   0.02   0.02) =   0.492%
          HG2   PRO   93 - HB2   CYS   21  19.08 +/- 1.01   0.919% *  3.1155% (0.22   0.02   0.02) =   0.460%
    Distance limit 3.61 A violated in 20 structures by 4.92 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.798, support = 1.49, residual support = 7.28:
          QD1   LEU   73 - HB2   CYS   21   4.25 +/- 1.66  60.215% * 94.3053% (0.80   1.50   7.31) =  99.609%  kept
          QD2   LEU   80 - HB2   CYS   21   5.46 +/- 2.00  26.901% *  0.6456% (0.41   0.02   0.02) =   0.305%
          QD1   LEU   80 - HB2   CYS   21   5.91 +/- 1.24  11.095% *  0.3496% (0.22   0.02   0.02) =   0.068%
          QG2   VAL   41 - HB2   CYS   21   7.81 +/- 1.60   1.255% *  0.5894% (0.38   0.02   0.02) =   0.013%
          QD2   LEU   98 - HB2   CYS   21   9.45 +/- 1.45   0.365% *  0.3496% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   CYS   21  12.60 +/- 1.23   0.077% *  1.2574% (0.80   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   CYS   21  13.50 +/- 1.50   0.060% *  1.4496% (0.92   0.02   0.02) =   0.002%
          QD2   LEU  115 - HB2   CYS   21  17.89 +/- 1.72   0.014% *  0.7040% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  15.73 +/- 1.69   0.018% *  0.3496% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 8 structures by 0.96 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.52, residual support = 27.9:
      O T HA    CYS   21 - HB2   CYS   21   2.82 +/- 0.28  99.994% * 99.6850% (0.92  10.0 10.00   2.52  27.95) = 100.000%  kept
          HA    LYS+ 102 - HB2   CYS   21  17.93 +/- 2.17   0.002% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  17.53 +/- 1.09   0.002% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  20.11 +/- 1.31   0.001% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  22.69 +/- 1.25   0.000% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.658, support = 2.37, residual support = 4.89:
          HN    THR   23 - HB2   CYS   21   4.31 +/- 0.57  88.460% * 20.0276% (0.53   1.68   4.77) =  66.894%  kept
          HD2   HIS   22 - HB2   CYS   21   6.50 +/- 0.41  11.155% * 78.5893% (0.92   3.76   5.14) =  33.102%  kept
          QE    PHE   95 - HB2   CYS   21  12.53 +/- 1.81   0.232% *  0.2204% (0.49   0.02   0.02) =   0.002%
          HD21  ASN   35 - HB2   CYS   21  14.55 +/- 1.20   0.088% *  0.2382% (0.53   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   CYS   21  16.23 +/- 1.16   0.044% *  0.4060% (0.90   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   CYS   21  19.17 +/- 1.55   0.013% *  0.4487% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  20.95 +/- 1.43   0.008% *  0.0698% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 1 structures by 0.33 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.34, residual support = 27.9:
      O   HN    CYS   21 - HB2   CYS   21   2.55 +/- 0.34  99.965% * 99.8294% (0.95  10.0   3.34  27.95) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.50 +/- 0.69   0.029% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  15.54 +/- 1.19   0.002% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.27 +/- 0.92   0.003% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  20.91 +/- 1.21   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 0.0198, residual support = 0.0198:
          QB    LYS+  33 - HB3   CYS   21   9.32 +/- 0.56  55.139% *  4.7734% (0.23   0.02   0.02) =  44.181%  kept
          HB    VAL   41 - HB3   CYS   21  10.81 +/- 1.28  25.485% *  9.0526% (0.44   0.02   0.02) =  38.727%  kept
          HG12  ILE  103 - HB3   CYS   21  15.75 +/- 2.40   2.904% * 11.2053% (0.55   0.02   0.02) =   5.462%  kept
          QB    LYS+  81 - HB3   CYS   21  12.81 +/- 0.80   8.655% *  3.1155% (0.15   0.02   0.02) =   4.527%  kept
          HB    ILE  103 - HB3   CYS   21  18.22 +/- 2.05   1.129% *  7.3624% (0.36   0.02   0.02) =   1.396%  kept
          QB    LYS+  66 - HB3   CYS   21  17.66 +/- 0.85   1.231% *  6.2738% (0.31   0.02   0.02) =   1.296%  kept
          QB    LYS+ 106 - HB3   CYS   21  15.91 +/- 1.02   2.244% *  2.7693% (0.14   0.02   0.02) =   1.043%  kept
          HG3   PRO   68 - HB3   CYS   21  20.74 +/- 0.70   0.479% *  7.9226% (0.39   0.02   0.02) =   0.637%  kept
          HB3   ASP- 105 - HB3   CYS   21  20.12 +/- 1.46   0.571% *  6.2738% (0.31   0.02   0.02) =   0.601%  kept
          HB3   PRO   52 - HB3   CYS   21  23.40 +/- 0.87   0.230% * 13.7167% (0.67   0.02   0.02) =   0.529%  kept
          HB3   GLN   90 - HB3   CYS   21  19.27 +/- 1.48   0.787% *  3.8908% (0.19   0.02   0.02) =   0.514%  kept
          HG2   ARG+  54 - HB3   CYS   21  22.01 +/- 1.50   0.339% *  6.8115% (0.33   0.02   0.02) =   0.387%
          HG    LEU  123 - HB3   CYS   21  25.06 +/- 1.33   0.156% * 13.7167% (0.67   0.02   0.02) =   0.359%
          HG2   PRO   93 - HB3   CYS   21  20.19 +/- 1.22   0.653% *  3.1155% (0.15   0.02   0.02) =   0.341%
    Distance limit 3.71 A violated in 20 structures by 4.72 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.0, residual support = 2.7:
          QG2   THR   26 - HB3   CYS   21   2.67 +/- 0.34  99.586% * 95.4718% (0.60   2.00   2.70) =  99.995%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.19 +/- 0.62   0.407% *  1.0982% (0.69   0.02  10.15) =   0.005%
          HG2   LYS+  65 - HB3   CYS   21  17.26 +/- 2.07   0.002% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   CYS   21  15.97 +/- 1.17   0.003% *  0.6231% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.81 +/- 0.94   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.04 +/- 1.68   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  22.30 +/- 1.72   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  21.89 +/- 0.65   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.547, support = 1.49, residual support = 7.28:
          QD1   LEU   73 - HB3   CYS   21   4.32 +/- 1.20  55.876% * 94.3053% (0.55   1.50   7.31) =  99.538%  kept
          QD2   LEU   80 - HB3   CYS   21   5.33 +/- 1.64  29.067% *  0.6456% (0.28   0.02   0.02) =   0.354%
          QD1   LEU   80 - HB3   CYS   21   5.88 +/- 1.07  13.088% *  0.3496% (0.15   0.02   0.02) =   0.086%
          QG2   VAL   41 - HB3   CYS   21   7.94 +/- 1.26   1.404% *  0.5894% (0.26   0.02   0.02) =   0.016%
          QD2   LEU   98 - HB3   CYS   21   9.63 +/- 1.10   0.418% *  0.3496% (0.15   0.02   0.02) =   0.003%
          QD1   LEU   63 - HB3   CYS   21  13.58 +/- 0.78   0.064% *  1.2574% (0.55   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   CYS   21  14.42 +/- 1.21   0.049% *  1.4496% (0.63   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   CYS   21  18.93 +/- 1.63   0.013% *  0.7040% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  16.12 +/- 1.40   0.021% *  0.3496% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 8 structures by 0.72 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.33, residual support = 27.9:
      O   HN    CYS   21 - HB3   CYS   21   3.46 +/- 0.25  99.736% * 99.8294% (0.65  10.0   3.33  27.95) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21   9.75 +/- 0.49   0.232% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  15.89 +/- 0.83   0.012% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  14.89 +/- 0.62   0.018% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  22.04 +/- 0.77   0.002% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.749, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   2.56 +/- 0.47  99.972% * 88.5635% (0.52   0.75   1.50) =  99.999%  kept
          HD1   TRP   87 - HB3   CYS   21  12.36 +/- 0.80   0.010% *  2.8548% (0.63   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   CYS   21  14.84 +/- 0.82   0.003% *  2.9254% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   CYS   21  14.09 +/- 0.52   0.005% *  1.7508% (0.39   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  16.17 +/- 1.40   0.004% *  1.0549% (0.23   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  14.80 +/- 1.07   0.004% *  0.4185% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  17.47 +/- 1.67   0.001% *  1.1607% (0.26   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  18.82 +/- 0.88   0.001% *  1.2714% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.441, support = 2.66, residual support = 4.88:
          HN    THR   23 - HB3   CYS   21   4.15 +/- 0.26  88.714% * 23.0256% (0.36   2.12   4.77) =  70.894%  kept
          HD2   HIS   22 - HB3   CYS   21   5.95 +/- 0.28  11.076% * 75.7112% (0.63   3.97   5.14) =  29.104%  kept
          QE    PHE   95 - HB3   CYS   21  13.63 +/- 1.42   0.097% *  0.2013% (0.33   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   CYS   21  13.84 +/- 1.24   0.082% *  0.2175% (0.36   0.02   0.02) =   0.001%
          HN    LEU   67 - HB3   CYS   21  17.31 +/- 0.71   0.019% *  0.3708% (0.62   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  20.06 +/- 1.23   0.008% *  0.4098% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  22.11 +/- 1.23   0.004% *  0.0638% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.48, residual support = 27.9:
      O T HA    CYS   21 - HB3   CYS   21   2.58 +/- 0.18  99.998% * 99.6850% (0.63  10.0 10.00   2.48  27.95) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  17.93 +/- 2.04   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  18.63 +/- 0.78   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  21.03 +/- 1.02   0.000% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  23.65 +/- 0.66   0.000% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.729, support = 2.52, residual support = 34.0:
      O   HD2   HIS   22 - HB2   HIS   22   3.38 +/- 0.57  81.368% * 86.9445% (0.74  10.0   2.43  34.38) =  96.749%  kept
          HN    THR   23 - HB2   HIS   22   4.50 +/- 0.03  18.617% * 12.7678% (0.42   1.0   5.15  21.28) =   3.251%  kept
          HD1   TRP   49 - HB2   HIS   22  21.02 +/- 2.15   0.003% *  0.0934% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  17.43 +/- 1.62   0.006% *  0.0458% (0.39   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  18.35 +/- 1.99   0.003% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.47 +/- 0.76   0.001% *  0.0845% (0.72   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  24.72 +/- 2.02   0.001% *  0.0145% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2366 (7.36, 3.24, 29.58 ppm):
    6 chemical-shift based assignments, quality = 0.936, support = 3.07, residual support = 34.2:
      O   HD2   HIS   22 - HB3   HIS   22   3.39 +/- 0.51  80.816% * 94.7166% (0.95  10.0   3.04  34.38) =  98.753%  kept
          HN    THR   23 - HB3   HIS   22   4.45 +/- 0.03  19.171% *  5.0432% (0.18   1.0   5.75  21.28) =   1.247%  kept
          HD21  ASN   35 - HB3   HIS   22  18.47 +/- 1.53   0.004% *  0.0924% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  21.08 +/- 1.60   0.002% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.64 +/- 1.35   0.006% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.62 +/- 0.57   0.001% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.31, residual support = 21.3:
          QG2   THR   23 - HB3   HIS   22   3.62 +/- 0.45  99.928% * 95.9651% (0.34   3.31  21.28) =  99.999%  kept
          QG2   THR   77 - HB3   HIS   22  12.81 +/- 0.94   0.063% *  1.6870% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  19.19 +/- 0.65   0.005% *  1.2359% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  23.15 +/- 1.39   0.002% *  0.6388% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  24.07 +/- 1.20   0.002% *  0.4732% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.21, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.07 +/- 0.71  99.188% * 98.4521% (0.38   3.21  12.68) =  99.987%  kept
          QD    PHE   95 - HB    THR   46   8.18 +/- 0.89   0.812% *  1.5479% (0.95   0.02   0.02) =   0.013%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.39 +/- 0.35  99.583% * 99.6646% (0.87  10.0   3.25  34.52) = 100.000%  kept
          HN    LYS+  74 - HB    THR   46   9.71 +/- 0.98   0.186% *  0.1126% (0.98   1.0   0.02   0.13) =   0.000%
          HN    MET   92 - HB    THR   46   9.97 +/- 0.78   0.219% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.77 +/- 0.78   0.012% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  30.17 +/- 1.90   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.419, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  12.75 +/- 1.19  20.753% * 12.9434% (0.64  1.00   0.02   0.02) =  38.836%  kept
          HB3   LEU   80 - HB2   HIS   22  10.80 +/- 1.00  55.434% *  4.0306% (0.20  1.00   0.02   0.02) =  32.303%  kept
          HB2   LEU   31 - HB2   HIS   22  13.47 +/- 1.58  19.409% *  6.0667% (0.30  1.00   0.02   0.02) =  17.023%  kept
        T HB2   LEU   63 - HB2   HIS   22  20.36 +/- 1.33   1.312% * 28.3087% (0.14 10.00   0.02   0.02) =   5.369%  kept
          QB    ALA   88 - HB2   HIS   22  19.15 +/- 1.01   1.750% * 16.1643% (0.80  1.00   0.02   0.02) =   4.089%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.00 +/- 1.62   0.688% * 13.5016% (0.67  1.00   0.02   0.02) =   1.344%  kept
          HG2   LYS+  99 - HB2   HIS   22  23.89 +/- 1.66   0.541% * 11.7377% (0.58  1.00   0.02   0.02) =   0.919%  kept
          HG2   LYS+ 111 - HB2   HIS   22  30.30 +/- 1.53   0.113% *  7.2470% (0.36  1.00   0.02   0.02) =   0.118%
    Distance limit 3.86 A violated in 20 structures by 5.88 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.3:
      O   HN    CYS   21 - HA    ALA   20   2.24 +/- 0.01  99.997% * 99.8294% (0.95  10.0   2.86  14.27) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.51 +/- 0.49   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  17.19 +/- 0.70   0.001% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.18 +/- 1.01   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.61 +/- 0.53   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   8.56 +/- 0.47 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.13 A violated in 20 structures by 5.43 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.575, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   5.64 +/- 1.07  98.610% * 18.5628% (0.57   0.02   0.02) =  98.506%  kept
          QG    GLN   32 - HA    HIS   22  14.49 +/- 0.91   0.588% * 27.4474% (0.85   0.02   0.02) =   0.868%  kept
          HB3   PHE   45 - HA    HIS   22  13.44 +/- 0.93   0.729% * 13.7211% (0.42   0.02   0.02) =   0.538%  kept
          HB    VAL  107 - HA    HIS   22  21.51 +/- 0.99   0.048% * 26.5475% (0.82   0.02   0.02) =   0.068%
          QE    LYS+ 112 - HA    HIS   22  24.34 +/- 2.08   0.026% * 13.7211% (0.42   0.02   0.02) =   0.019%
    Distance limit 3.24 A violated in 18 structures by 2.40 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.294, support = 0.0198, residual support = 0.0198:
        T HB2   LEU   73 - HA    HIS   22   9.12 +/- 1.15  47.304% * 28.4146% (0.26 10.00   0.02   0.02) =  86.988%  kept
          HB    VAL   83 - HA    HIS   22  11.14 +/- 0.97  14.647% *  8.1833% (0.76  1.00   0.02   0.02) =   7.757%  kept
          HD2   LYS+  74 - HA    HIS   22   9.56 +/- 1.06  35.474% *  1.7898% (0.17  1.00   0.02   0.02) =   4.109%  kept
          QD    LYS+  65 - HA    HIS   22  17.72 +/- 2.03   1.011% *  7.4210% (0.69  1.00   0.02   0.02) =   0.486%
          HG3   PRO   93 - HA    HIS   22  21.29 +/- 2.17   0.349% *  8.5362% (0.79  1.00   0.02   0.02) =   0.193%
          QD    LYS+ 102 - HA    HIS   22  22.56 +/- 1.92   0.224% *  9.8627% (0.91  1.00   0.02   0.02) =   0.143%
          QD    LYS+  38 - HA    HIS   22  22.37 +/- 0.66   0.231% *  9.4340% (0.87  1.00   0.02   0.02) =   0.141%
          HB3   MET   92 - HA    HIS   22  21.63 +/- 1.58   0.284% *  4.2014% (0.39  1.00   0.02   0.02) =   0.077%
          HB2   LYS+ 121 - HA    HIS   22  26.53 +/- 1.04   0.078% *  7.0200% (0.65  1.00   0.02   0.02) =   0.035%
          QD    LYS+ 106 - HA    HIS   22  21.06 +/- 0.98   0.307% *  1.5768% (0.15  1.00   0.02   0.02) =   0.031%
          HB2   LEU  123 - HA    HIS   22  29.05 +/- 0.95   0.045% *  8.1833% (0.76  1.00   0.02   0.02) =   0.024%
          HD2   LYS+ 111 - HA    HIS   22  29.18 +/- 1.81   0.045% *  5.3768% (0.50  1.00   0.02   0.02) =   0.016%
    Distance limit 3.40 A violated in 20 structures by 4.54 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.387, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.26 +/- 0.23  98.251% * 67.5049% (0.39   0.02   0.02) =  99.151%  kept
          HN    LEU   40 - HA    HIS   22  20.18 +/- 0.75   1.749% * 32.4951% (0.19   0.02   0.02) =   0.849%  kept
    Distance limit 3.52 A violated in 20 structures by 6.71 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.38, residual support = 25.8:
      O   HN    VAL   24 - HA    THR   23   2.68 +/- 0.21 100.000% *100.0000% (0.64  10.0   5.38  25.83) = 100.000%  kept
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.35, residual support = 25.8:
          HN    VAL   24 - HB    THR   23   3.27 +/- 0.54 100.000% *100.0000% (0.49   5.35  25.83) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.7, residual support = 19.1:
          HN    THR   23 - QG2   THR   23   3.28 +/- 0.59  90.090% * 62.6988% (0.73   4.74  19.04) =  98.024%  kept
          HD2   HIS   22 - QG2   THR   23   6.05 +/- 0.35   3.200% * 35.4722% (0.76   2.55  21.28) =   1.970%  kept
          HE3   TRP   27 - QG2   THR   23   7.07 +/- 0.95   1.805% *  0.0810% (0.22   0.02   0.93) =   0.003%
          HD1   TRP   49 - QB    ALA   91   7.49 +/- 1.94   3.523% *  0.0343% (0.09   0.02   0.02) =   0.002%
          HN    LEU   67 - QG2   THR   39   9.21 +/- 0.79   0.254% *  0.0803% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91  10.15 +/- 1.96   0.398% *  0.0263% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.40 +/- 1.20   0.307% *  0.0276% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  14.37 +/- 1.26   0.017% *  0.2500% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  12.85 +/- 1.91   0.055% *  0.0557% (0.15   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  16.19 +/- 0.91   0.009% *  0.3264% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  15.11 +/- 0.98   0.016% *  0.1242% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  13.91 +/- 1.57   0.029% *  0.0619% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  10.87 +/- 1.22   0.169% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  11.80 +/- 1.19   0.081% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  19.21 +/- 0.72   0.003% *  0.3607% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  14.96 +/- 1.25   0.017% *  0.0588% (0.16   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.36 +/- 1.39   0.002% *  0.1012% (0.28   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  16.77 +/- 0.45   0.007% *  0.0278% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  15.13 +/- 0.96   0.012% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  20.82 +/- 1.13   0.002% *  0.0379% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  24.33 +/- 1.21   0.001% *  0.0727% (0.20   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  21.12 +/- 1.01   0.002% *  0.0292% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.21 +/- 0.67   0.002% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  23.62 +/- 1.26   0.001% *  0.0131% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.83, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   2.89 +/- 0.81  99.896% * 91.4923% (0.34   1.83  10.83) =  99.997%  kept
          HG3   MET   96 - HA    VAL   83  11.13 +/- 1.09   0.083% *  2.9236% (1.00   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HA    VAL   83  14.57 +/- 0.96   0.019% *  0.6509% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  22.43 +/- 1.04   0.001% *  2.6989% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  23.09 +/- 1.04   0.001% *  2.2343% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.8:
        T HB2   ASP-  86 - HA    VAL   83   2.63 +/- 0.56  99.933% * 99.6258% (0.98 10.00   2.25  10.83) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  10.77 +/- 0.70   0.048% *  0.0912% (0.90  1.00   0.02   0.27) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  12.77 +/- 0.45   0.014% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  17.56 +/- 1.56   0.002% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  18.19 +/- 1.34   0.002% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  22.95 +/- 1.32   0.000% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 86.8:
      O   HN    VAL   83 - HA    VAL   83   2.78 +/- 0.02  99.996% * 99.7575% (0.57  10.0   4.70  86.78) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.27 +/- 0.72   0.002% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  16.86 +/- 0.84   0.002% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   3.00 +/- 0.10  99.950% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.75 +/- 0.91   0.019% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  12.14 +/- 0.84   0.026% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  16.60 +/- 1.20   0.004% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  21.47 +/- 2.06   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  26.37 +/- 1.44   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.723, support = 4.29, residual support = 15.0:
          HD1   TRP   87 - HA    VAL   83   4.47 +/- 0.55  93.498% * 87.5791% (0.73   4.31  15.02) =  99.355%  kept
          HE3   TRP   87 - HA    VAL   83   7.33 +/- 0.46   4.998% * 10.4847% (0.28   1.35  15.02) =   0.636%  kept
          HN    TRP   27 - HA    VAL   83  10.09 +/- 0.76   1.115% *  0.5290% (0.95   0.02   3.79) =   0.007%
          HN    ALA   91 - HA    VAL   83  11.83 +/- 0.73   0.310% *  0.3618% (0.65   0.02   0.02) =   0.001%
          HN    THR   39 - HA    VAL   83  20.49 +/- 0.81   0.013% *  0.4274% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  20.07 +/- 0.97   0.013% *  0.3166% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  17.09 +/- 1.58   0.036% *  0.1107% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  19.76 +/- 0.86   0.017% *  0.1908% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 8 structures by 0.75 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.388, support = 2.2, residual support = 11.1:
          QD2   LEU   80 - HA    VAL   24   2.91 +/- 1.11  67.804% * 71.3686% (0.41   2.32  11.11) =  87.683%  kept
          QD1   LEU   80 - HA    VAL   24   3.85 +/- 0.93  29.479% * 22.9557% (0.22   1.38  11.11) =  12.262%  kept
          QD1   LEU   73 - HA    VAL   24   6.07 +/- 1.27   2.411% *  1.1980% (0.80   0.02   0.02) =   0.052%
          QG2   VAL   41 - HA    VAL   24   8.96 +/- 1.26   0.185% *  0.5615% (0.38   0.02   0.02) =   0.002%
          QD2   LEU   98 - HA    VAL   24   9.46 +/- 1.14   0.107% *  0.3331% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    VAL   24  14.91 +/- 0.91   0.006% *  1.1980% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  16.02 +/- 1.34   0.005% *  1.3811% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  16.77 +/- 1.44   0.002% *  0.3331% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  19.90 +/- 1.48   0.001% *  0.6708% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.3:
      O T HB    VAL   24 - HA    VAL   24   2.65 +/- 0.21  99.962% * 98.9275% (1.00  10.0 10.00   3.97  65.27) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.18 +/- 0.29   0.036% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  23.53 +/- 1.14   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  19.18 +/- 1.65   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.53 +/- 0.89   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  23.88 +/- 1.27   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 24.9:
        T HB3   TRP   27 - HA    VAL   24   3.01 +/- 0.29  99.982% * 99.7179% (1.00 10.00   3.00  24.86) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  17.14 +/- 1.04   0.004% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  17.23 +/- 1.75   0.004% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  16.34 +/- 1.31   0.005% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.22 +/- 1.09   0.003% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.65 +/- 1.00   0.002% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.3:
      O   HN    VAL   24 - HA    VAL   24   2.79 +/- 0.05 100.000% *100.0000% (0.97  10.0   4.34  65.27) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2390 (8.79, 3.77, 66.14 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 5.66, residual support = 32.0:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.02  52.813% * 86.0252% (0.92  10.0   5.66  34.80) =  87.425%  kept
          HN    ASN   28 - HA    VAL   24   3.68 +/- 0.36  47.058% * 13.8866% (0.53   1.0   5.66  12.24) =  12.575%  kept
          HN    ASP-  44 - HA    VAL   24   9.90 +/- 0.99   0.129% *  0.0882% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 2.99, residual support = 24.9:
          HN    TRP   27 - HA    VAL   24   3.06 +/- 0.08  99.873% * 94.5907% (0.45   2.99  24.86) =  99.998%  kept
          HD1   TRP   87 - HA    VAL   24   9.60 +/- 0.30   0.108% *  1.3976% (0.99   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   24  15.77 +/- 0.50   0.005% *  1.2231% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  17.08 +/- 0.88   0.003% *  1.3822% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  17.47 +/- 1.63   0.003% *  0.9686% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.64 +/- 0.76   0.004% *  0.2469% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  18.48 +/- 1.33   0.002% *  0.1908% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.25, residual support = 65.3:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.985% * 98.9402% (0.98  10.0 10.00   3.25  65.27) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.79 +/- 0.68   0.004% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.27 +/- 0.22   0.008% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.95 +/- 1.43   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.72 +/- 1.65   0.001% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.37 +/- 1.19   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.25 +/- 0.85   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.51 +/- 1.39   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.52 +/- 0.82   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  23.64 +/- 2.84   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.79 +/- 1.16   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.74 +/- 1.30   0.000% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.25, residual support = 65.3:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.996% * 99.6470% (1.00  10.0   3.25  65.27) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  12.63 +/- 0.98   0.003% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  21.26 +/- 1.56   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.37 +/- 1.19   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.25 +/- 0.85   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.49 +/- 0.94   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  24.38 +/- 1.86   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  28.23 +/- 1.33   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.812, support = 2.14, residual support = 9.29:
          QD2   LEU   80 - HB    VAL   24   2.62 +/- 0.76  73.549% * 60.8471% (0.80   2.32  11.11) =  82.709%  kept
          QG1   VAL   83 - HB    VAL   24   3.41 +/- 0.86  26.288% * 35.5873% (0.87   1.25   0.56) =  17.290%  kept
          QD1   LEU   73 - HB    VAL   24   8.17 +/- 1.27   0.093% *  0.2692% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24  10.06 +/- 0.84   0.028% *  0.1633% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   PRO   68  13.10 +/- 2.06   0.007% *  0.3739% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   PRO   68  11.74 +/- 0.75   0.017% *  0.1593% (0.24   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  18.25 +/- 1.51   0.002% *  0.6320% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.85 +/- 0.83   0.008% *  0.1593% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.71 +/- 1.14   0.003% *  0.2961% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  16.30 +/- 1.22   0.002% *  0.2692% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  20.94 +/- 1.42   0.001% *  0.5005% (0.76   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.60 +/- 1.65   0.001% *  0.3102% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  20.99 +/- 0.91   0.000% *  0.3360% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  21.64 +/- 0.84   0.000% *  0.0966% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 3.99, residual support = 64.9:
      O T HA    VAL   24 - HB    VAL   24   2.65 +/- 0.21  90.863% * 89.0301% (0.90  10.0 10.00   3.97  65.27) =  98.852%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.94 +/- 0.11   9.133% * 10.2842% (0.10  10.0  1.00   5.46  35.47) =   1.148%  kept
          HA    LYS+  38 - HB2   PRO   68  15.79 +/- 0.89   0.002% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  23.53 +/- 1.14   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.98 +/- 0.78   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  24.69 +/- 1.54   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.25, residual support = 65.3:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.02  99.985% * 98.6521% (0.92  10.0 10.00   3.25  65.27) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.47 +/- 0.51   0.014% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  21.95 +/- 1.43   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  17.61 +/- 2.18   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  17.85 +/- 1.51   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.31 +/- 1.55   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  21.68 +/- 1.86   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  24.24 +/- 2.99   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.354, support = 5.8, residual support = 32.4:
      O   HN    ASN   69 - HB2   PRO   68   3.59 +/- 0.61  48.231% * 43.8176% (0.20  10.0   5.85  31.29) =  55.390%  kept
          HN    GLU-  25 - HB    VAL   24   3.61 +/- 0.40  48.492% * 33.6369% (0.53   1.0   5.89  34.80) =  42.750%  kept
          HN    ASN   28 - HB    VAL   24   5.63 +/- 0.27   3.213% * 22.0895% (0.92   1.0   2.20  12.24) =   1.860%  kept
          HN    ASP-  44 - HB    VAL   24  11.55 +/- 1.21   0.058% *  0.1229% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.07 +/- 0.66   0.005% *  0.0727% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.54 +/- 1.06   0.001% *  0.1186% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.81 +/- 1.14   0.001% *  0.0741% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.67 +/- 1.17   0.000% *  0.0676% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.3:
      O   HN    VAL   24 - HB    VAL   24   2.24 +/- 0.23 100.000% * 99.9409% (0.38  10.0   4.68  65.27) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.36 +/- 1.19   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 65.3:
          HN    VAL   24 - QG1   VAL   24   2.47 +/- 0.49 100.000% *100.0000% (0.73   4.09  65.27) = 100.000%  kept
    Distance limit 3.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.1, residual support = 127.9:
      O   HN    GLU-  25 - HB2   GLU-  25   2.91 +/- 0.38  97.526% * 99.5455% (0.41  10.0   6.10 127.88) =  99.994%  kept
          HN    ASN   28 - HB2   GLU-  25   5.59 +/- 0.11   2.466% *  0.2373% (0.98   1.0   0.02   2.69) =   0.006%
          HN    ASP-  44 - HB2   GLU-  25  14.67 +/- 0.90   0.008% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  23.79 +/- 0.72   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.87, residual support = 127.9:
      O   HN    GLU-  25 - HB3   GLU-  25   2.41 +/- 0.63  98.506% * 99.5455% (0.41  10.0   5.87 127.88) =  99.996%  kept
          HN    ASN   28 - HB3   GLU-  25   5.81 +/- 0.11   1.489% *  0.2373% (0.98   1.0   0.02   2.69) =   0.004%
          HN    ASP-  44 - HB3   GLU-  25  14.93 +/- 1.01   0.004% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.54 +/- 0.85   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.25, residual support = 29.5:
          HN    THR   26 - HB3   GLU-  25   3.21 +/- 0.10  99.997% * 98.7443% (0.34   5.25  29.46) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.64 +/- 0.84   0.003% *  0.8421% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.37 +/- 1.28   0.000% *  0.4136% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.96, residual support = 2.96:
          HN    SER   85 - HA    SER   82   3.43 +/- 0.12  98.812% * 92.1173% (0.26   2.96   2.96) =  99.987%  kept
          HN    GLN   32 - HA    GLU-  25   8.98 +/- 0.26   0.321% *  2.4019% (1.00   0.02   0.02) =   0.008%
          HN    LEU   80 - HA    SER   82   8.03 +/- 0.18   0.619% *  0.2401% (0.10   0.02   0.28) =   0.002%
          HN    LEU   80 - HA    GLU-  25  10.07 +/- 0.60   0.169% *  0.7413% (0.31   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  13.80 +/- 0.56   0.025% *  1.9233% (0.80   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.54 +/- 0.24   0.043% *  0.9874% (0.41   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   82  17.87 +/- 1.00   0.006% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.69 +/- 0.87   0.002% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  19.72 +/- 0.66   0.003% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.69 +/- 0.87   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.436, support = 5.75, residual support = 122.5:
      O   HN    GLU-  25 - HA    GLU-  25   2.69 +/- 0.02  88.742% * 73.5348% (0.41  10.0   5.87 127.88) =  95.695%  kept
          HN    ASN   28 - HA    GLU-  25   3.80 +/- 0.10  11.216% * 26.1722% (0.98   1.0   2.99   2.69) =   4.305%  kept
          HN    GLU-  25 - HA    SER   82  10.73 +/- 0.73   0.024% *  0.0238% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  12.44 +/- 0.80   0.010% *  0.0568% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  14.25 +/- 0.83   0.004% *  0.0802% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.10 +/- 0.43   0.003% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.66 +/- 0.78   0.000% *  0.0802% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.02 +/- 1.00   0.000% *  0.0260% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2405 (7.59, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 0.3, support = 4.31, residual support = 8.96:
          HN    ALA   84 - HA    SER   82   4.13 +/- 0.10  67.570% * 54.6832% (0.20   5.34  11.08) =  74.741%  kept
          HD21  ASN   28 - HA    GLU-  25   4.72 +/- 0.19  31.135% * 40.0948% (0.61   1.27   2.69) =  25.252%  kept
          HZ2   TRP   87 - HA    GLU-  25  11.08 +/- 0.63   0.195% *  0.4285% (0.41   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    GLU-  25  12.07 +/- 0.53   0.115% *  0.6322% (0.61   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  10.96 +/- 1.42   0.306% *  0.2321% (0.22   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    SER   82   9.74 +/- 0.36   0.412% *  0.1388% (0.13   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    SER   82  10.89 +/- 1.15   0.252% *  0.2048% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  23.44 +/- 1.03   0.002% *  1.0332% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  26.16 +/- 0.99   0.001% *  0.9861% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  22.75 +/- 0.48   0.002% *  0.3194% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  22.70 +/- 1.24   0.003% *  0.2048% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  24.56 +/- 0.66   0.002% *  0.3347% (0.32   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.75 +/- 1.05   0.001% *  0.6322% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  20.75 +/- 2.19   0.006% *  0.0752% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.985, support = 0.75, residual support = 2.66:
          HB2   ASN   28 - HA    GLU-  25   3.60 +/- 0.28  96.091% * 72.2520% (0.99   0.75   2.69) =  99.167%  kept
          HB2   ASP-  86 - HA    SER   82   6.47 +/- 0.64   3.321% * 17.3841% (0.24   0.76   0.02) =   0.825%  kept
          QE    LYS+  33 - HA    GLU-  25  11.69 +/- 2.23   0.170% *  1.9396% (1.00   0.02   0.02) =   0.005%
          HB2   ASP-  86 - HA    GLU-  25  12.55 +/- 0.55   0.060% *  1.4116% (0.73   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HA    SER   82  11.81 +/- 0.39   0.088% *  0.3819% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  12.03 +/- 1.03   0.080% *  0.3847% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  13.34 +/- 0.76   0.043% *  0.6241% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  15.35 +/- 1.07   0.019% *  1.1790% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  14.67 +/- 1.01   0.025% *  0.7296% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.67 +/- 0.47   0.094% *  0.1246% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  22.82 +/- 2.12   0.002% *  1.7945% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  20.64 +/- 1.75   0.003% *  0.6283% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  22.15 +/- 1.25   0.002% *  0.2363% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  25.84 +/- 1.33   0.001% *  0.5813% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  23.99 +/- 1.07   0.001% *  0.2631% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  30.19 +/- 1.06   0.000% *  0.0852% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.83, residual support = 11.1:
          QB    ALA   84 - HA    SER   82   4.43 +/- 0.13  83.761% * 79.2533% (0.32   2.83  11.08) =  99.902%  kept
          HB3   LEU   80 - HA    SER   82   6.29 +/- 0.49  12.057% *  0.2748% (0.16   0.02   0.28) =   0.050%
          HB3   LEU   80 - HA    GLU-  25   8.99 +/- 0.94   1.562% *  0.8483% (0.49   0.02   0.02) =   0.020%
          HB2   LEU   31 - HA    GLU-  25   8.92 +/- 0.27   1.285% *  0.5945% (0.34   0.02   0.02) =   0.011%
          QB    ALA   84 - HA    GLU-  25  11.99 +/- 0.47   0.220% *  1.7275% (0.99   0.02   0.02) =   0.006%
          HB3   LEU   73 - HA    GLU-  25  10.53 +/- 0.74   0.521% *  0.7165% (0.41   0.02   0.02) =   0.006%
          HG3   LYS+  33 - HA    GLU-  25  12.88 +/- 2.11   0.243% *  0.4846% (0.28   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    GLU-  25  15.99 +/- 1.02   0.042% *  1.6487% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  17.35 +/- 0.97   0.025% *  1.2656% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  16.90 +/- 1.47   0.032% *  0.5341% (0.31   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  25  17.35 +/- 0.80   0.024% *  0.5945% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  15.17 +/- 0.98   0.057% *  0.2321% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  18.20 +/- 1.24   0.021% *  0.5633% (0.32   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  16.95 +/- 0.41   0.027% *  0.4100% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  22.71 +/- 1.47   0.005% *  1.7390% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  15.92 +/- 0.86   0.042% *  0.1926% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  21.76 +/- 1.08   0.006% *  1.1275% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  21.37 +/- 2.31   0.009% *  0.7814% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  22.12 +/- 1.15   0.006% *  1.0571% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  18.89 +/- 1.42   0.015% *  0.3652% (0.21   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  27.75 +/- 1.42   0.001% *  1.5118% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  20.32 +/- 0.66   0.009% *  0.1926% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  24.79 +/- 1.76   0.003% *  0.5945% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  22.59 +/- 2.91   0.007% *  0.2531% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  23.12 +/- 0.90   0.004% *  0.3424% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  22.24 +/- 1.79   0.006% *  0.1570% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  31.95 +/- 1.39   0.001% *  0.9170% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  24.45 +/- 1.48   0.003% *  0.1570% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  29.90 +/- 1.43   0.001% *  0.4897% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  27.94 +/- 1.90   0.002% *  0.2970% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  30.32 +/- 1.21   0.001% *  0.4846% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  28.12 +/- 1.32   0.001% *  0.1926% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 12 structures by 0.96 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.517, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    SER   82  14.38 +/- 1.36  61.341% *  7.4304% (0.30   0.02   0.02) =  48.276%  kept
          QG2   VAL  108 - HA    GLU-  25  19.21 +/- 1.01  10.778% * 22.9376% (0.92   0.02   0.02) =  26.186%  kept
          HB2   LEU  104 - HA    GLU-  25  22.34 +/- 0.91   4.465% * 19.8967% (0.80   0.02   0.02) =   9.410%  kept
          QD1   ILE  119 - HA    GLU-  25  21.92 +/- 1.12   5.298% * 12.0948% (0.49   0.02   0.02) =   6.788%  kept
          HB2   LEU  104 - HA    SER   82  22.55 +/- 1.25   4.158% *  6.4453% (0.26   0.02   0.02) =   2.838%  kept
          QD1   ILE  119 - HA    SER   82  21.29 +/- 1.12   6.109% *  3.9180% (0.16   0.02   0.02) =   2.535%  kept
          HG    LEU   63 - HA    GLU-  25  23.49 +/- 1.00   3.413% *  5.5320% (0.22   0.02   0.02) =   2.000%  kept
          HG3   LYS+ 112 - HA    GLU-  25  32.04 +/- 1.13   0.527% * 15.0711% (0.61   0.02   0.02) =   0.842%  kept
          HG3   LYS+ 112 - HA    SER   82  28.18 +/- 1.61   1.172% *  4.8821% (0.20   0.02   0.02) =   0.606%  kept
          HG    LEU   63 - HA    SER   82  24.20 +/- 1.06   2.739% *  1.7920% (0.07   0.02   0.02) =   0.520%  kept
    Distance limit 3.84 A violated in 20 structures by 9.36 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.265, support = 2.5, residual support = 15.0:
          HB2   GLU-  29 - HA    THR   26   2.65 +/- 0.79  85.642% * 14.0089% (0.22   0.99   1.16) =  51.118%  kept
          HB2   GLU-  25 - HA    THR   26   4.12 +/- 0.36  14.324% * 80.0897% (0.31   4.07  29.46) =  48.880%  kept
          HB3   ASP-  76 - HA    THR   26  12.93 +/- 1.03   0.018% *  1.1424% (0.90   0.02   0.02) =   0.001%
          QG    GLN   17 - HA    THR   26  14.52 +/- 1.59   0.008% *  0.5237% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.71 +/- 0.50   0.004% *  1.1424% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  19.03 +/- 0.96   0.001% *  1.2049% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  17.72 +/- 0.78   0.002% *  0.6200% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.65 +/- 0.86   0.000% *  0.8750% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  26.16 +/- 1.40   0.000% *  0.3931% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.77, residual support = 35.6:
      O   HN    THR   26 - HA    THR   26   2.85 +/- 0.02  99.993% * 99.6670% (0.34  10.0   4.77  35.64) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  14.31 +/- 0.64   0.007% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.92 +/- 0.71   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.517, support = 1.29, residual support = 3.58:
          HN    GLN   30 - HA    THR   26   3.93 +/- 0.25  27.447% * 77.9087% (0.69   1.46   4.97) =  63.502%  kept
          HN    GLU-  29 - HA    THR   26   3.32 +/- 0.16  72.539% * 16.9433% (0.22   0.98   1.16) =  36.498%  kept
          HN    GLU-  14 - HA    THR   26  16.88 +/- 1.72   0.005% *  1.5204% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  16.19 +/- 0.72   0.006% *  0.9408% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.27 +/- 0.61   0.003% *  1.2956% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.49 +/- 1.67   0.001% *  1.3911% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.503, support = 2.11, residual support = 10.3:
          HN    THR   23 - HB    THR   26   3.78 +/- 0.12  53.971% * 73.2217% (0.38   2.59  12.98) =  79.187%  kept
          HD2   HIS   22 - HB    THR   26   4.16 +/- 1.21  45.999% * 22.5800% (0.99   0.30   0.11) =  20.812%  kept
          HD21  ASN   35 - HB    THR   26  14.97 +/- 0.91   0.015% *  1.0361% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  15.91 +/- 1.21   0.011% *  0.5145% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  19.45 +/- 0.55   0.003% *  1.1527% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  21.25 +/- 1.19   0.002% *  1.4950% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.48, residual support = 22.5:
          HN    TRP   27 - HB    THR   26   2.97 +/- 0.14  99.975% * 98.0956% (0.84   4.48  22.52) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  14.32 +/- 0.32   0.008% *  0.4547% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  16.44 +/- 0.42   0.004% *  0.4702% (0.90   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  14.99 +/- 0.38   0.006% *  0.2552% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  18.21 +/- 1.58   0.002% *  0.2155% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  16.99 +/- 0.76   0.003% *  0.0918% (0.18   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  20.60 +/- 0.75   0.001% *  0.2552% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  19.73 +/- 1.22   0.001% *  0.1618% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 35.6:
      O   HN    THR   26 - HB    THR   26   2.23 +/- 0.14  99.999% * 99.9615% (0.80  10.0   4.16  35.64) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  14.45 +/- 0.56   0.001% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.222, support = 0.731, residual support = 2.52:
          HA    CYS   21 - QG2   THR   26   1.99 +/- 0.65  97.620% * 23.9803% (0.18   0.75   2.70) =  93.251%  kept
          HA    ALA   20 - QG2   THR   26   5.25 +/- 0.18   2.294% * 73.8193% (0.87   0.47   0.02) =   6.747%  kept
          HA    LEU   71 - QG2   THR   26   9.22 +/- 0.55   0.085% *  0.5634% (0.15   0.02   0.02) =   0.002%
          HA    LYS+ 102 - QG2   THR   26  16.48 +/- 1.18   0.001% *  1.6370% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.894, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  10.75 +/- 1.69  71.665% * 18.7520% (0.92   0.02   0.02) =  79.779%  kept
          HG2   MET   11 - QG2   THR   26  16.66 +/- 2.94   8.678% * 19.2160% (0.95   0.02   0.02) =   9.900%  kept
          HB2   PRO   93 - QG2   THR   26  17.42 +/- 1.06   4.709% * 12.3210% (0.61   0.02   0.02) =   3.444%  kept
          HG3   PRO   52 - QG2   THR   26  20.02 +/- 0.70   2.094% * 17.6208% (0.87   0.02   0.02) =   2.191%  kept
          HG2   PRO   58 - QG2   THR   26  20.02 +/- 1.24   1.999% * 17.6208% (0.87   0.02   0.02) =   2.091%  kept
          HB2   PRO   68 - QG2   THR   26  16.40 +/- 1.16   6.751% *  3.1343% (0.15   0.02   0.02) =   1.256%  kept
          HB    VAL  108 - QG2   THR   26  19.19 +/- 0.93   2.634% *  5.0653% (0.25   0.02   0.02) =   0.792%  kept
          HB2   ARG+  54 - QG2   THR   26  21.05 +/- 1.21   1.470% *  6.2698% (0.31   0.02   0.02) =   0.547%  kept
    Distance limit 3.35 A violated in 20 structures by 6.70 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 4.97:
        T HG2   GLN   30 - QG2   THR   26   2.33 +/- 0.46  99.838% * 99.5048% (0.99 10.00   0.75   4.97) = 100.000%  kept
          HB3   ASN   28 - QG2   THR   26   7.49 +/- 0.13   0.160% *  0.2584% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   THR   26  19.55 +/- 1.63   0.000% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  18.37 +/- 0.65   0.001% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.928, support = 3.55, residual support = 14.8:
          QD1   LEU   73 - HB3   TRP   27   3.73 +/- 1.33  48.922% * 60.2477% (1.00   3.92  18.09) =  66.183%  kept
          QD2   LEU   80 - HB3   TRP   27   4.20 +/- 1.87  41.817% * 35.2142% (0.80   2.86   8.61) =  33.065%  kept
          QG1   VAL   83 - HB3   TRP   27   5.05 +/- 0.95   9.232% *  3.6254% (0.18   1.35   3.79) =   0.752%  kept
          QD1   LEU   63 - HB3   TRP   27  12.92 +/- 0.77   0.013% *  0.3075% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  13.90 +/- 1.29   0.009% *  0.1741% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  15.05 +/- 1.20   0.005% *  0.1741% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  18.19 +/- 1.52   0.002% *  0.2569% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 24.9:
        T HA    VAL   24 - HB3   TRP   27   3.01 +/- 0.29  99.773% * 98.5200% (0.76 10.00   3.00  24.86) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.88 +/- 0.71   0.006% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27   8.80 +/- 1.12   0.212% *  0.0174% (0.14  1.00   0.02   3.79) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  15.45 +/- 1.28   0.008% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 24.9:
          HA    VAL   24 - HB2   TRP   27   1.81 +/- 0.14 100.000% * 99.1878% (0.97   3.00  24.86) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.20 +/- 0.57   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  16.59 +/- 1.59   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  20.86 +/- 1.39   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2422 (0.59, 3.56, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.921, support = 3.31, residual support = 12.2:
          QD2   LEU   80 - HB2   TRP   27   4.00 +/- 1.39  50.540% * 40.8512% (0.98   2.96   8.61) =  55.776%  kept
          QD1   LEU   73 - HB2   TRP   27   4.69 +/- 1.17  29.353% * 50.3078% (0.90   3.99  18.09) =  39.893%  kept
          QG1   VAL   83 - HB2   TRP   27   4.52 +/- 0.85  20.071% *  7.9877% (0.38   1.51   3.79) =   4.331%  kept
          QD1   LEU   63 - HB2   TRP   27  14.14 +/- 0.82   0.015% *  0.2524% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  15.73 +/- 1.28   0.008% *  0.2351% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  15.12 +/- 1.30   0.012% *  0.0869% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  19.37 +/- 1.47   0.002% *  0.2789% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.12, residual support = 17.1:
          QD1   LEU   31 - HA    ASN   28   3.02 +/- 0.86 100.000% *100.0000% (0.76   3.12  17.05) = 100.000%  kept
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.1, residual support = 92.3:
      O T HA    GLU-  29 - HG3   GLU-  29   3.56 +/- 0.20  99.702% * 97.0747% (0.22  10.0 10.00   5.10  92.30) =  99.996%  kept
        T HA    LYS+  33 - HG3   GLU-  29  10.10 +/- 0.73   0.231% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.004%
          HB2   SER   37 - HG3   GLU-  29  15.68 +/- 0.85   0.016% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.16 +/- 1.04   0.007% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  14.26 +/- 1.15   0.029% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.49 +/- 0.77   0.012% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  20.45 +/- 1.64   0.003% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.54 +/- 1.23   0.000% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 107.5:
      O   HD1   TRP   27 - HB2   TRP   27   3.16 +/- 0.48  99.451% * 99.7286% (0.98  10.0   3.66 107.49) =  99.999%  kept
          HE21  GLN   30 - HB2   TRP   27   8.72 +/- 1.00   0.542% *  0.0939% (0.92   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   TRP   27  17.57 +/- 1.82   0.006% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  23.49 +/- 1.96   0.001% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.44, residual support = 107.5:
      O   HN    TRP   27 - HB2   TRP   27   2.20 +/- 0.09  99.980% * 99.5184% (0.76  10.0   5.44 107.49) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27  10.01 +/- 0.44   0.012% *  0.1202% (0.92   1.0   0.02   6.14) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.39 +/- 0.68   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.21 +/- 0.32   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  12.27 +/- 0.71   0.004% *  0.0176% (0.14   1.0   0.02   6.14) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  16.26 +/- 1.39   0.001% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  17.29 +/- 0.77   0.000% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.79 +/- 1.46   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.3, residual support = 47.7:
          HN    ASN   28 - HB2   TRP   27   2.74 +/- 0.10  95.510% * 99.5399% (0.92   5.30  47.74) =  99.997%  kept
          HN    GLU-  25 - HB2   TRP   27   4.59 +/- 0.09   4.389% *  0.0628% (0.15   0.02   0.16) =   0.003%
          HN    ASP-  44 - HB2   TRP   27   9.15 +/- 0.96   0.100% *  0.0713% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  19.79 +/- 1.09   0.001% *  0.3260% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.765, support = 4.49, residual support = 106.9:
      O   HE3   TRP   27 - HB3   TRP   27   2.89 +/- 0.31  96.309% * 87.1317% (0.76  10.0   4.50 107.49) =  99.485%  kept
          HN    THR   23 - HB3   TRP   27   5.17 +/- 0.17   3.471% * 12.5175% (0.98   1.0   2.24   0.93) =   0.515%  kept
          HD2   HIS   22 - HB3   TRP   27   8.40 +/- 0.59   0.191% *  0.0254% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  12.63 +/- 1.39   0.024% *  0.1130% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  17.56 +/- 1.12   0.002% *  0.0783% (0.69   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.34 +/- 1.21   0.001% *  0.0952% (0.84   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  19.07 +/- 1.50   0.002% *  0.0389% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 107.5:
      O   HD1   TRP   27 - HB3   TRP   27   3.63 +/- 0.17  97.784% * 99.7286% (0.98  10.0   4.09 107.49) =  99.998%  kept
          HE21  GLN   30 - HB3   TRP   27   7.67 +/- 1.23   2.200% *  0.0939% (0.92   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB3   TRP   27  16.22 +/- 1.79   0.014% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  22.71 +/- 1.92   0.002% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 107.5:
      O   HN    TRP   27 - HB3   TRP   27   2.77 +/- 0.13  99.917% * 99.5184% (0.76  10.0   5.64 107.49) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27   9.93 +/- 0.66   0.050% *  0.1202% (0.92   1.0   0.02   6.14) =   0.000%
          HN    THR   39 - HB3   TRP   27  14.83 +/- 0.85   0.005% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.21 +/- 0.45   0.006% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  12.30 +/- 0.85   0.014% *  0.0176% (0.14   1.0   0.02   6.14) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  15.98 +/- 1.41   0.004% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.15 +/- 1.42   0.003% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  16.88 +/- 0.78   0.002% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.77, residual support = 47.7:
          HN    ASN   28 - HB3   TRP   27   4.06 +/- 0.06  99.987% * 99.4717% (0.65   5.77  47.74) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  18.43 +/- 1.23   0.013% *  0.5283% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.41 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.7, residual support = 17.1:
          HN    LEU   31 - HA    ASN   28   3.26 +/- 0.10  99.929% * 95.2838% (0.22   3.70  17.05) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.57 +/- 0.25   0.031% *  2.2662% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.08 +/- 0.23   0.039% *  0.4049% (0.18   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  21.64 +/- 1.11   0.001% *  0.6428% (0.28   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  25.36 +/- 0.79   0.000% *  1.4023% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2433 (8.34, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 4.5, residual support = 8.1:
          HN    GLN   30 - HA    ASN   28   3.80 +/- 0.11  99.238% * 93.5034% (0.18   4.50   8.10) =  99.995%  kept
          HN    ASN   35 - HA    ASN   28   8.74 +/- 0.23   0.694% *  0.5280% (0.22   0.02   0.02) =   0.004%
          HN    LYS+  99 - HA    ASN   28  13.47 +/- 0.83   0.055% *  2.1893% (0.92   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  19.68 +/- 2.40   0.006% *  2.0572% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  19.51 +/- 1.60   0.006% *  1.7221% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.35, residual support = 94.5:
      O   HN    ASN   28 - HB2   ASN   28   2.63 +/- 0.19  99.984% * 99.7686% (0.65  10.0   6.35  94.49) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  12.00 +/- 1.12   0.014% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.34 +/- 0.69   0.001% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.71 +/- 0.74   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.6, residual support = 94.5:
      O   HD22  ASN   28 - HB3   ASN   28   3.68 +/- 0.43  99.985% * 99.9746% (0.98  10.0   3.60  94.49) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  16.62 +/- 0.68   0.015% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.38, residual support = 94.5:
      O   HD21  ASN   28 - HB3   ASN   28   3.57 +/- 0.33  99.388% * 99.7595% (0.87  10.0   3.38  94.49) =  99.999%  kept
          HZ2   TRP   87 - HB3   ASN   28   9.18 +/- 0.99   0.597% *  0.1127% (0.98   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB3   ASN   28  16.58 +/- 1.25   0.013% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  22.76 +/- 0.96   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.67 +/- 0.92   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.497, support = 5.46, residual support = 31.9:
          HN    GLU-  29 - HB3   ASN   28   3.47 +/- 0.26  90.356% * 47.8326% (0.45   5.75  34.58) =  89.823%  kept
          HN    GLN   30 - HB3   ASN   28   5.06 +/- 0.12   9.583% * 51.0975% (0.92   2.98   8.10) =  10.177%  kept
          HN    ASP-  86 - HB3   ASN   28  13.09 +/- 1.08   0.042% *  0.3221% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  15.36 +/- 0.88   0.014% *  0.2102% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  21.13 +/- 1.64   0.002% *  0.2973% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.01 +/- 2.49   0.002% *  0.2402% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 94.5:
      O   HN    ASN   28 - HB3   ASN   28   3.53 +/- 0.01  98.392% * 99.8777% (0.92  10.0   6.07  94.49) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.07 +/- 0.27   1.577% *  0.0167% (0.15   1.0   0.02   2.69) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.81 +/- 0.79   0.030% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.65 +/- 0.79   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0198, residual support = 8.02:
          HN    GLN   30 - HB2   ASN   28   4.45 +/- 0.05  98.253% *  7.8959% (0.38   0.02   8.10) =  99.007%  kept
          HN    GLN   30 - HB2   ASN   35   9.76 +/- 1.00   1.088% *  2.4562% (0.12   0.02   0.02) =   0.341%
          HN    LYS+  99 - HB2   ASN   35  11.38 +/- 0.92   0.407% *  6.5298% (0.31   0.02   0.02) =   0.339%
          HN    LYS+  99 - HB2   ASN   28  16.40 +/- 0.82   0.042% * 20.9915% (1.00   0.02   0.02) =   0.112%
          HN    ASP-  86 - HB2   ASN   28  13.53 +/- 0.74   0.132% *  6.4934% (0.31   0.02   0.02) =   0.110%
          HN    GLU-  14 - HB2   ASN   28  20.44 +/- 1.66   0.012% * 19.9013% (0.95   0.02   0.02) =   0.032%
          HE1   HIS  122 - HB2   ASN   35  19.05 +/- 2.95   0.024% *  6.5298% (0.31   0.02   0.02) =   0.020%
          HE1   HIS  122 - HB2   ASN   28  22.51 +/- 2.26   0.007% * 20.9915% (1.00   0.02   0.02) =   0.019%
          HN    GLU-  14 - HB2   ASN   35  18.98 +/- 1.94   0.022% *  6.1907% (0.29   0.02   0.02) =   0.017%
          HN    ASP-  86 - HB2   ASN   35  20.36 +/- 1.61   0.012% *  2.0199% (0.10   0.02   0.02) =   0.003%
    Distance limit 3.13 A violated in 20 structures by 1.32 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.68, residual support = 94.5:
      O   HD21  ASN   28 - HB2   ASN   28   3.51 +/- 0.47  99.517% * 99.5979% (0.61  10.0   3.68  94.49) =  99.999%  kept
          HZ2   TRP   87 - HB2   ASN   28   9.87 +/- 0.80   0.354% *  0.1315% (0.80   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  16.23 +/- 1.33   0.015% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  12.31 +/- 1.30   0.070% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  14.40 +/- 1.43   0.038% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  19.05 +/- 1.53   0.006% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.4, residual support = 19.4:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  96.807% * 98.9280% (0.49  10.0   5.40  19.36) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.58 +/- 0.13   2.200% *  0.0222% (0.11   1.0   0.02   1.69) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.75 +/- 0.28   0.840% *  0.0271% (0.13   1.0   0.02   0.17) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.46 +/- 2.21   0.042% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.33 +/- 0.70   0.010% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.93 +/- 0.89   0.042% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  18.03 +/- 1.95   0.007% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.13 +/- 0.69   0.023% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  17.06 +/- 0.92   0.008% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.33 +/- 2.22   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.35 +/- 1.98   0.006% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.65 +/- 2.25   0.004% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.13 +/- 2.60   0.004% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.47 +/- 1.30   0.005% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.89 +/- 1.24   0.002% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 5.22, residual support = 85.3:
      O   HN    GLU-  29 - HB2   GLU-  29   2.49 +/- 0.45  85.992% * 60.3194% (0.41  10.0   5.14  92.30) =  90.420%  kept
          HN    GLN   30 - HB2   GLU-  29   3.46 +/- 0.39  14.003% * 39.2457% (0.90   1.0   5.97  19.36) =   9.580%  kept
          HN    GLU-  14 - HB2   GLU-  29  17.13 +/- 2.05   0.003% *  0.1226% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  17.20 +/- 1.07   0.001% *  0.1226% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.84 +/- 0.68   0.001% *  0.0890% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.90 +/- 2.19   0.000% *  0.1008% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.499, support = 4.74, residual support = 79.0:
      O   HN    GLU-  29 - HB3   GLU-  29   3.31 +/- 0.45  68.935% * 66.2943% (0.41  10.0   4.78  92.30) =  81.817%  kept
          HN    GLN   30 - HB3   GLU-  29   3.81 +/- 0.26  30.762% * 33.0144% (0.90   1.0   4.57  19.36) =  18.183%  kept
          HN    GLN   30 - QB    GLU-  36   9.32 +/- 0.28   0.164% *  0.0448% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.57 +/- 0.42   0.078% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  13.98 +/- 2.16   0.024% *  0.0417% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  16.66 +/- 2.03   0.006% *  0.1347% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.37 +/- 0.60   0.020% *  0.0303% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  18.17 +/- 1.05   0.003% *  0.1347% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  17.90 +/- 0.70   0.003% *  0.0978% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  18.53 +/- 2.12   0.003% *  0.0343% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.97 +/- 2.02   0.001% *  0.1108% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  21.49 +/- 1.07   0.001% *  0.0417% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.901, support = 4.39, residual support = 91.8:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.90 +/- 0.09  28.739% * 95.1378% (0.99  10.0 10.00   4.40  92.30) =  90.510%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.48 +/- 0.11  71.229% *  4.0244% (0.04  10.0 10.00   4.29  86.78) =   9.489%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.95 +/- 0.75   0.020% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  11.44 +/- 0.99   0.009% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  16.67 +/- 1.19   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  18.92 +/- 0.96   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.73 +/- 0.92   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  19.47 +/- 1.19   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.22 +/- 1.24   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.92 +/- 0.96   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.89 +/- 0.61   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.48 +/- 0.86   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  29.10 +/- 1.92   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.44 +/- 0.80   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  27.58 +/- 1.80   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  23.15 +/- 0.61   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.166, residual support = 0.166:
          QD    LYS+  33 - HA    GLN   30   4.40 +/- 0.94  99.806% * 71.8882% (0.95   0.17   0.17) =  99.989%  kept
          HD2   LYS+  74 - HA    GLN   30  14.03 +/- 0.78   0.162% *  3.4306% (0.38   0.02   0.02) =   0.008%
          QB    ALA   57 - HA    GLN   30  19.44 +/- 1.19   0.023% *  6.2789% (0.69   0.02   0.02) =   0.002%
          HB3   LEU  123 - HA    GLN   30  25.87 +/- 1.47   0.005% *  8.6468% (0.95   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HA    GLN   30  30.96 +/- 1.29   0.001% *  6.6376% (0.73   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  27.98 +/- 1.31   0.003% *  3.1180% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 9 structures by 0.83 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.153, support = 0.0198, residual support = 0.0198:
          QD1   LEU   71 - HA    GLN   30   5.48 +/- 1.41  99.647% *  8.2693% (0.15   0.02   0.02) =  99.079%  kept
          QD2   LEU  123 - HA    GLN   30  21.41 +/- 1.58   0.072% * 48.0646% (0.90   0.02   0.02) =   0.416%
          HB3   LEU  104 - HA    GLN   30  19.43 +/- 0.74   0.125% * 22.0331% (0.41   0.02   0.02) =   0.331%
          QD1   LEU  123 - HA    GLN   30  19.57 +/- 1.54   0.124% *  8.2693% (0.15   0.02   0.02) =   0.123%
          HG3   LYS+ 121 - HA    GLN   30  23.99 +/- 0.97   0.032% * 13.3638% (0.25   0.02   0.02) =   0.052%
    Distance limit 3.88 A violated in 12 structures by 1.63 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.22, residual support = 154.9:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.01  97.535% * 99.6773% (0.98  10.0   6.22 154.87) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.24 +/- 0.03   2.445% *  0.0576% (0.57   1.0   0.02  19.36) =   0.001%
          HN    GLU-  14 - HA    GLN   30  13.78 +/- 1.74   0.012% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.48 +/- 0.68   0.006% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  18.03 +/- 1.13   0.002% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.91 +/- 1.99   0.001% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.34, residual support = 154.9:
      O   HN    GLN   30 - HB2   GLN   30   3.25 +/- 0.48  97.343% * 99.6773% (0.98  10.0   6.34 154.87) =  99.998%  kept
          HN    GLU-  29 - HB2   GLN   30   5.96 +/- 0.56   2.579% *  0.0576% (0.57   1.0   0.02  19.36) =   0.002%
          HN    GLU-  14 - HB2   GLN   30  13.93 +/- 1.43   0.027% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  12.90 +/- 0.73   0.034% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  16.32 +/- 1.28   0.008% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.86 +/- 2.07   0.009% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 154.9:
      O   HN    GLN   30 - HB3   GLN   30   2.36 +/- 0.45  98.758% * 99.4549% (0.65  10.0   6.55 154.87) = 100.000%  kept
          HN    GLU-  29 - HB3   GLN   30   4.94 +/- 0.52   1.227% *  0.0304% (0.20   1.0   0.02  19.36) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.44 +/- 0.75   0.007% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  14.84 +/- 1.53   0.005% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  17.62 +/- 1.98   0.001% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  15.49 +/- 1.29   0.002% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.642, support = 6.99, residual support = 153.5:
          HN    GLN   30 - HG2   GLN   30   3.27 +/- 0.29  95.156% * 82.3815% (0.65   7.01 154.87) =  99.007%  kept
          HN    GLU-  29 - HG2   GLN   30   5.38 +/- 0.35   4.795% * 16.4029% (0.20   4.57  19.36) =   0.993%  kept
          HN    GLU-  14 - HG2   GLN   30  13.58 +/- 1.54   0.031% *  0.3599% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.47 +/- 0.69   0.010% *  0.3149% (0.87   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  16.96 +/- 1.06   0.005% *  0.2056% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.87 +/- 1.68   0.003% *  0.3352% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.12, residual support = 154.9:
      O   HE21  GLN   30 - HG2   GLN   30   3.81 +/- 0.28  93.755% * 99.6917% (0.87  10.0   4.12 154.87) =  99.992%  kept
          HD1   TRP   27 - HG2   GLN   30   6.95 +/- 1.63   6.234% *  0.1147% (1.00   1.0   0.02   0.02) =   0.008%
          QD    PHE   59 - HG2   GLN   30  18.16 +/- 1.56   0.011% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  27.40 +/- 1.98   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.71, residual support = 154.9:
      O   HE21  GLN   30 - HG3   GLN   30   4.01 +/- 0.21  86.217% * 99.5784% (0.87  10.0   2.71 154.87) =  99.993%  kept
          HD1   TRP   27 - HG3   GLN   30   7.11 +/- 1.05   4.599% *  0.1145% (1.00   1.0   0.02   0.02) =   0.006%
          QD    PHE   59 - HB2   PRO   93   7.20 +/- 1.45   5.685% *  0.0089% (0.08   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   8.49 +/- 1.36   1.301% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93   9.53 +/- 1.69   2.109% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  18.17 +/- 2.45   0.013% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  14.31 +/- 1.41   0.052% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  18.23 +/- 1.73   0.015% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  27.68 +/- 2.41   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  19.89 +/- 1.32   0.007% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.79 +/- 1.06   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  26.02 +/- 1.60   0.001% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.643, support = 5.85, residual support = 153.7:
          HN    GLN   30 - HG3   GLN   30   3.50 +/- 0.40  94.867% * 83.6388% (0.65   5.87 154.87) =  99.104%  kept
          HN    GLU-  29 - HG3   GLN   30   5.71 +/- 0.51   4.987% * 14.3712% (0.20   3.30  19.36) =   0.895%  kept
          HN    GLU-  14 - HG3   GLN   30  13.50 +/- 1.38   0.054% *  0.4366% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  15.35 +/- 0.87   0.020% *  0.3821% (0.87   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  17.32 +/- 1.64   0.011% *  0.2494% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.73 +/- 1.89   0.006% *  0.4066% (0.92   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  16.34 +/- 1.25   0.011% *  0.0817% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  16.28 +/- 1.39   0.013% *  0.0317% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.58 +/- 0.99   0.017% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.61 +/- 1.34   0.003% *  0.0768% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.17 +/- 0.78   0.004% *  0.0298% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  21.73 +/- 1.34   0.002% *  0.0501% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  21.62 +/- 1.39   0.002% *  0.0222% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  28.19 +/- 1.17   0.000% *  0.0573% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.17 +/- 1.14   0.001% *  0.0340% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.22 +/- 1.44   0.000% *  0.0878% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  22.83 +/- 1.43   0.002% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.72 +/- 1.07   0.000% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.183, support = 4.3, residual support = 36.6:
          HG    LEU   31 - HB3   GLN   30   4.71 +/- 0.72  32.513% * 74.0157% (0.15  1.00   5.84  50.02) =  69.876%  kept
          QD2   LEU   73 - HB3   GLN   30   3.88 +/- 0.79  67.480% * 15.3731% (0.25  1.00   0.75   5.35) =  30.123%  kept
        T QD1   ILE   56 - HB3   GLN   30  19.49 +/- 0.88   0.003% *  8.0025% (0.49 10.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HB3   GLN   30  20.51 +/- 1.62   0.003% *  0.9972% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB3   GLN   30  22.49 +/- 0.93   0.002% *  1.6115% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 5.35:
          QD1   LEU   73 - HB3   GLN   30   2.81 +/- 0.48  99.237% * 96.9580% (0.87   3.24   5.35) =  99.996%  kept
          QD2   LEU   80 - HB3   GLN   30   8.13 +/- 1.64   0.481% *  0.6832% (0.99   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB3   GLN   30   8.54 +/- 0.87   0.248% *  0.2834% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   GLN   30  13.44 +/- 0.66   0.011% *  0.5979% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.93 +/- 0.97   0.010% *  0.5979% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  13.88 +/- 1.08   0.011% *  0.1917% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  19.27 +/- 1.85   0.002% *  0.6878% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  19.79 +/- 1.56  37.261% * 54.6388% (0.97   0.02   0.02) =  64.478%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.87 +/- 1.08  20.565% * 36.6255% (0.65   0.02   0.02) =  23.855%  kept
          QD1   ILE   56 - HB2   GLN   30  19.30 +/- 0.94  42.173% *  8.7356% (0.15   0.02   0.02) =  11.668%  kept
    Distance limit 3.39 A violated in 20 structures by 13.26 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.62, residual support = 5.35:
          QD1   LEU   73 - HB2   GLN   30   2.67 +/- 0.61  99.596% * 94.0986% (0.87   1.62   5.35) =  99.995%  kept
          QD2   LEU   80 - HB2   GLN   30   8.94 +/- 1.82   0.256% *  1.3255% (0.99   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB2   GLN   30   9.32 +/- 0.77   0.111% *  0.5498% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   GLN   30  13.03 +/- 0.62   0.012% *  1.1600% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  13.38 +/- 1.08   0.010% *  1.1600% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.33 +/- 0.93   0.013% *  0.3718% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  18.92 +/- 1.94   0.001% *  1.3343% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.63, residual support = 154.9:
      O T HA    GLN   30 - HG3   GLN   30   2.76 +/- 0.69  94.473% * 98.6729% (0.65  10.0 10.00   4.63 154.87) =  99.999%  kept
        T HD3   PRO   52 - HB2   PRO   93   8.44 +/- 1.37   0.262% *  0.0863% (0.06   1.0 10.00   0.02   1.01) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   5.73 +/- 1.81   4.180% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG3   GLN   30  10.54 +/- 0.92   0.066% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  10.54 +/- 0.74   0.050% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   7.98 +/- 1.06   0.399% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  14.20 +/- 1.76   0.016% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.09 +/- 0.79   0.240% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  15.47 +/- 1.36   0.008% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  10.63 +/- 2.02   0.264% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  14.26 +/- 1.10   0.013% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  20.07 +/- 1.58   0.002% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  15.05 +/- 1.29   0.008% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.94 +/- 0.56   0.012% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  22.59 +/- 1.41   0.001% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  21.23 +/- 1.98   0.002% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  26.33 +/- 1.97   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.14 +/- 1.55   0.001% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.80 +/- 1.31   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.80 +/- 1.09   0.002% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  25.94 +/- 1.15   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.64 +/- 1.37   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  23.10 +/- 1.08   0.001% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.24 +/- 1.41   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.70 +/- 1.55   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  29.73 +/- 1.59   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  25.85 +/- 1.13   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.58, residual support = 10.3:
          HZ2   TRP   27 - QD1   LEU   31   3.31 +/- 0.42  99.946% * 99.7759% (0.87   1.58  10.34) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.12 +/- 0.72   0.054% *  0.2241% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.855, support = 0.618, residual support = 10.5:
          HD21  ASN   28 - QD1   LEU   31   4.40 +/- 0.65  61.307% * 43.8072% (0.92   0.52  17.05) =  57.417%  kept
          HZ2   TRP   87 - QD1   LEU   31   5.02 +/- 0.96  38.120% * 52.2457% (0.76   0.75   1.72) =  42.577%  kept
          HN    ALA   84 - QD1   LEU   31  10.51 +/- 0.81   0.292% *  0.5069% (0.28   0.02   0.02) =   0.003%
          QE    PHE   60 - QD1   LEU   31  11.14 +/- 0.92   0.232% *  0.3608% (0.20   0.02   0.02) =   0.002%
          HN    LEU   63 - QD1   LEU   31  15.17 +/- 0.75   0.032% *  1.3932% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  19.11 +/- 0.60   0.008% *  1.1793% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  18.77 +/- 1.20   0.009% *  0.5069% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  11.75 +/- 1.02  43.887% * 52.6698% (0.97   0.02   0.02) =  68.577%  kept
          HN    ASP- 105 - QD1   LEU   31  11.31 +/- 1.21  54.669% * 18.6164% (0.34   0.02   0.02) =  30.193%  kept
          HN    PHE   55 - QD1   LEU   31  20.65 +/- 0.51   1.444% * 28.7138% (0.53   0.02   0.02) =   1.230%  kept
    Distance limit 4.12 A violated in 20 structures by 5.96 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.44, residual support = 230.7:
          HN    LEU   31 - HG    LEU   31   2.88 +/- 0.61  99.884% * 99.1125% (0.67   7.44 230.71) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.58 +/- 0.58   0.113% *  0.2062% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  19.77 +/- 1.01   0.002% *  0.2859% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  24.47 +/- 0.53   0.001% *  0.3159% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  25.08 +/- 0.57   0.000% *  0.0795% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.05, residual support = 230.7:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.02  99.474% * 99.3670% (0.34  10.0   7.05 230.71) =  99.998%  kept
          HN    LYS+  38 - HB3   LEU   31   8.51 +/- 0.32   0.523% *  0.2907% (1.00   1.0   0.02   0.02) =   0.002%
          HN    ASP-  62 - HB3   LEU   31  21.03 +/- 0.86   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  26.51 +/- 0.58   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.768, support = 5.67, residual support = 43.2:
          HN    GLN   32 - HB3   LEU   31   3.87 +/- 0.12  79.432% * 80.1621% (0.76   5.94  45.63) =  94.147%  kept
          HN    ALA   34 - HB3   LEU   31   4.88 +/- 0.18  20.536% * 19.2769% (0.84   1.31   4.71) =   5.853%  kept
          HN    LEU   80 - HB3   LEU   31  15.91 +/- 0.62   0.017% *  0.2565% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  16.70 +/- 1.10   0.013% *  0.1326% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  25.27 +/- 0.78   0.001% *  0.1719% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.55, residual support = 17.1:
        T HA    ASN   28 - HB2   LEU   31   3.17 +/- 0.30  98.522% * 98.0556% (0.73 10.00   2.55  17.05) =  99.992%  kept
        T HA    ALA   34 - HB2   LEU   31   7.59 +/- 0.17   0.575% *  1.2110% (0.90 10.00   0.02   4.71) =   0.007%
          HA1   GLY  101 - HB2   LEU   31   8.70 +/- 1.79   0.574% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.29 +/- 0.27   0.327% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  22.68 +/- 0.82   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  25.53 +/- 1.86   0.000% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  25.85 +/- 1.21   0.000% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.90 +/- 0.61   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  26.52 +/- 0.72   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.05, residual support = 230.7:
      O   HN    LEU   31 - HB2   LEU   31   2.48 +/- 0.12  99.969% * 99.3670% (0.34  10.0   7.05 230.71) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.61 +/- 0.22   0.031% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  21.57 +/- 0.89   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.59 +/- 0.52   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 5.91, residual support = 45.4:
          HN    GLN   32 - HB2   LEU   31   2.85 +/- 0.16  97.571% * 80.1612% (0.76   5.94  45.63) =  99.407%  kept
          HN    ALA   34 - HB2   LEU   31   5.33 +/- 0.13   2.421% * 19.2778% (0.84   1.31   4.71) =   0.593%  kept
          HN    LEU   80 - HB2   LEU   31  14.96 +/- 0.55   0.005% *  0.2565% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  16.17 +/- 1.03   0.003% *  0.1326% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  25.32 +/- 0.66   0.000% *  0.1719% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.05, residual support = 230.7:
      O   HN    LEU   31 - HA    LEU   31   2.77 +/- 0.03  99.753% * 99.3670% (0.34  10.0   7.05 230.71) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.56 +/- 0.22   0.246% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  19.63 +/- 0.86   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  25.91 +/- 0.55   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.78, support = 4.98, residual support = 36.3:
      O   HN    GLN   32 - HA    LEU   31   3.58 +/- 0.03  24.289% * 91.1590% (0.76  10.0   5.94  45.63) =  77.172%  kept
          HN    ALA   34 - HA    LEU   31   2.96 +/- 0.10  75.706% *  8.6515% (0.84   1.0   1.74   4.71) =  22.828%  kept
          HN    LEU   80 - HA    LEU   31  15.98 +/- 0.62   0.003% *  0.0866% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  17.83 +/- 1.03   0.002% *  0.0448% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.87 +/- 0.70   0.000% *  0.0581% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 3.35:
          QD1   LEU   73 - HA    LEU   31   3.97 +/- 0.54  98.397% * 87.6996% (0.49   1.22   3.35) =  99.955%  kept
          QG1   VAL   83 - HA    LEU   31   9.79 +/- 0.58   0.652% *  2.3567% (0.80   0.02   0.02) =   0.018%
          QD2   LEU   80 - HA    LEU   31  10.51 +/- 1.59   0.506% *  2.5530% (0.87   0.02   0.02) =   0.015%
          QD1   LEU  104 - HA    LEU   31  11.45 +/- 1.00   0.295% *  2.9172% (0.99   0.02   0.02) =   0.010%
          QD1   LEU   63 - HA    LEU   31  13.48 +/- 0.67   0.090% *  1.4326% (0.49   0.02   0.02) =   0.002%
          QD2   LEU  115 - HA    LEU   31  19.38 +/- 1.68   0.014% *  2.4584% (0.84   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU   31  15.01 +/- 0.65   0.045% *  0.5825% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 2 structures by 0.33 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.531, support = 3.08, residual support = 14.9:
          HD1   TRP   87 - QG2   VAL   83   2.85 +/- 1.01  94.854% * 73.9668% (0.53   3.11  15.02) =  99.020%  kept
          HN    TRP   27 - QG2   VAL   83   7.26 +/- 0.82   2.914% * 23.4892% (1.00   0.52   3.79) =   0.966%  kept
          HE3   TRP   87 - QG2   VAL   83   6.31 +/- 0.76   1.992% *  0.4056% (0.45   0.02  15.02) =   0.011%
          HN    ALA   91 - QG2   VAL   83   9.05 +/- 1.02   0.199% *  0.7557% (0.84   0.02   0.02) =   0.002%
          HN    ALA   61 - QG2   VAL   83  14.24 +/- 1.06   0.017% *  0.6914% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  16.04 +/- 0.91   0.010% *  0.5122% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  15.89 +/- 1.12   0.015% *  0.1790% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 3 structures by 0.29 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  14.23 +/- 0.96 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.06 A violated in 20 structures by 11.17 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.493, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QG2   VAL   42   7.67 +/- 1.06  62.843% * 17.5479% (0.39   0.02   0.02) =  52.866%  kept
          HE21  GLN   30 - QG2   VAL   42   9.07 +/- 0.69  25.969% * 30.1124% (0.67   0.02   0.02) =  37.488%  kept
          HD1   TRP   27 - QG2   VAL   42  10.91 +/- 1.51  10.904% * 17.5479% (0.39   0.02   0.02) =   9.172%  kept
          HH2   TRP   49 - QG2   VAL   42  19.20 +/- 1.48   0.284% * 34.7918% (0.77   0.02   0.02) =   0.474%
    Distance limit 3.24 A violated in 20 structures by 3.73 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.793, support = 0.33, residual support = 1.28:
          QD2   LEU   40 - QG2   VAL   42   2.53 +/- 0.83  77.546% * 65.1601% (0.79  1.00   0.34   1.30) =  98.353%  kept
          QD1   LEU   67 - QG2   VAL   42   3.78 +/- 1.04  20.625% *  3.9116% (0.80  1.00   0.02   0.02) =   1.570%  kept
          QG2   ILE  103 - QG2   VAL   42   6.71 +/- 0.53   0.307% *  3.8856% (0.79  1.00   0.02   0.02) =   0.023%
          QD2   LEU   71 - QG2   VAL   42   6.81 +/- 0.65   0.553% *  1.9082% (0.39  1.00   0.02   2.39) =   0.021%
        T HB    VAL   75 - QG2   VAL   42   9.71 +/- 0.50   0.033% * 19.0820% (0.39 10.00   0.02   0.02) =   0.012%
          QG2   ILE  119 - QG2   VAL   42   6.50 +/- 1.01   0.657% *  0.8728% (0.18  1.00   0.02   0.02) =   0.011%
          QD1   ILE  103 - QG2   VAL   42   7.50 +/- 0.75   0.251% *  1.4713% (0.30  1.00   0.02   0.02) =   0.007%
          HG3   LYS+  74 - QG2   VAL   42  10.47 +/- 0.80   0.028% *  3.7084% (0.76  1.00   0.02   0.02) =   0.002%
    Distance limit 2.97 A violated in 0 structures by 0.05 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.876, support = 3.59, residual support = 10.2:
        T HZ2   TRP   27 - QD2   LEU   31   4.21 +/- 0.46  22.368% * 96.0711% (0.99 10.00   3.93  10.34) =  87.570%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.32 +/- 0.56  77.632% *  3.9289% (0.07 10.00   1.21   9.58) =  12.430%  kept
    Distance limit 3.22 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 50.0:
          HE22  GLN   30 - QD2   LEU   31   4.01 +/- 0.11  97.157% * 99.1216% (0.90   3.20  50.02) =  99.998%  kept
          HE22  GLN   30 - QG2   VAL   43   7.70 +/- 0.87   2.576% *  0.0419% (0.06   0.02   0.02) =   0.001%
          HD22  ASN   69 - QD2   LEU   31  12.52 +/- 1.38   0.143% *  0.4471% (0.65   0.02   0.02) =   0.001%
          HN    TRP   49 - QD2   LEU   31  19.09 +/- 0.54   0.009% *  0.3364% (0.49   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.55 +/- 1.14   0.050% *  0.0303% (0.04   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.62 +/- 0.40   0.066% *  0.0228% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.1:
      O T HA    VAL   43 - QG2   VAL   43   2.38 +/- 0.24  99.236% * 99.3737% (0.50  10.0 10.00   3.00  60.06) =  99.998%  kept
        T HA    VAL   43 - QD2   LEU   31   5.75 +/- 0.47   0.718% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    HIS   22 - QG2   VAL   43  10.11 +/- 0.54   0.019% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.29 +/- 0.42   0.017% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  14.31 +/- 0.48   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  11.98 +/- 0.81   0.008% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.333, support = 1.85, residual support = 9.93:
          HZ3   TRP   27 - QG2   VAL   43   2.76 +/- 0.75  71.195% * 31.7116% (0.50  1.00   2.09   9.58) =  53.440%  kept
        T HZ3   TRP   27 - QD2   LEU   31   4.91 +/- 2.01  28.805% * 68.2884% (0.14 10.00   1.57  10.34) =  46.560%  kept
    Distance limit 2.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.918, support = 4.14, residual support = 43.7:
          HN    GLN   32 - QG    GLN   32   3.25 +/- 0.65  95.326% * 85.3783% (0.92   4.15  44.10) =  99.202%  kept
          HN    ALA   34 - QG    GLN   32   5.81 +/- 0.14   4.663% * 14.0445% (0.22   2.83   0.02) =   0.798%  kept
          HN    SER   85 - QG    GLN   32  18.33 +/- 1.58   0.004% *  0.4303% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  16.85 +/- 1.17   0.006% *  0.0688% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  21.41 +/- 1.07   0.002% *  0.0781% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.15, residual support = 44.1:
      O   HN    GLN   32 - QB    GLN   32   2.16 +/- 0.10  99.189% * 99.8359% (0.92  10.0   4.15  44.10) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.84 +/- 0.12   0.810% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    GLN   32  18.13 +/- 1.10   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  15.99 +/- 0.61   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.72 +/- 0.79   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2484 (8.32, 4.00, 59.42 ppm):
    18 chemical-shift based assignments, quality = 0.218, support = 5.77, residual support = 65.9:
      O   HN    GLU-  29 - HA    GLU-  29   2.71 +/- 0.01  81.329% * 27.4129% (0.14  10.0   5.98  92.30) =  63.748%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  17.827% * 71.1184% (0.36  10.0   5.40  19.36) =  36.250%  kept
          HN    GLN   30 - HA    GLN   32   6.58 +/- 0.13   0.405% *  0.1093% (0.55   1.0   0.02   1.69) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.75 +/- 0.28   0.155% *  0.1125% (0.57   1.0   0.02   0.17) =   0.000%
          HN    GLU-  29 - HA    GLN   32   7.37 +/- 0.20   0.206% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.39 +/- 0.45   0.050% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.46 +/- 2.21   0.008% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.93 +/- 0.89   0.008% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.13 +/- 0.69   0.004% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.35 +/- 1.98   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.33 +/- 0.70   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  18.03 +/- 1.95   0.001% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  17.06 +/- 0.92   0.001% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.47 +/- 1.30   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.65 +/- 2.25   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.13 +/- 2.60   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.89 +/- 1.24   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.33 +/- 2.22   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.1, residual support = 44.0:
      O   HN    GLN   32 - HA    GLN   32   2.72 +/- 0.01  81.108% * 98.5396% (0.39  10.0   4.10  44.10) =  99.861%  kept
          HN    GLN   32 - HA    GLU-  29   3.52 +/- 0.11  17.422% *  0.6294% (0.25   1.0   0.20   0.02) =   0.137%
          HN    GLN   32 - HA    LYS+  33   5.31 +/- 0.03   1.466% *  0.1014% (0.40   1.0   0.02  10.96) =   0.002%
          HN    SER   85 - HA    GLU-  29  18.25 +/- 0.79   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  20.18 +/- 1.14   0.001% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  23.41 +/- 1.09   0.000% *  0.1653% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.69 +/- 0.84   0.000% *  0.0847% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.71 +/- 0.54   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.90 +/- 0.71   0.000% *  0.0551% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  24.13 +/- 0.74   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.26 +/- 0.60   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.95 +/- 0.68   0.000% *  0.0276% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.654, support = 5.49, residual support = 140.0:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.01  76.485% * 79.3011% (0.69  10.0   5.58 149.00) =  93.509%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.56 +/- 0.02  20.642% * 20.3940% (0.18  10.0   4.18  10.96) =   6.490%  kept
          HN    LYS+  33 - HA    GLU-  29   5.12 +/- 0.46   2.840% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.25 +/- 0.27   0.021% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.18 +/- 0.46   0.005% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.24 +/- 0.33   0.005% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.31 +/- 0.74   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  24.24 +/- 1.18   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  20.38 +/- 0.98   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  21.38 +/- 1.25   0.000% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.36 +/- 0.91   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  26.72 +/- 0.66   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33  10.54 +/- 1.83  80.288% *  5.4417% (0.14   0.02   0.02) =  41.488%  kept
          QD    PHE   60 - QB    LYS+  33  15.22 +/- 1.30  10.496% * 37.1179% (0.92   0.02   0.02) =  36.993%  kept
          HN    LYS+  66 - QB    LYS+  33  16.82 +/- 0.85   6.388% * 18.0271% (0.45   0.02   0.02) =  10.936%  kept
          HN    LYS+  81 - QB    LYS+  33  19.14 +/- 0.84   2.828% * 39.4132% (0.98   0.02   0.02) =  10.584%  kept
    Distance limit 3.56 A violated in 20 structures by 6.55 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.72, residual support = 149.0:
      O   HN    LYS+  33 - QB    LYS+  33   2.35 +/- 0.34  99.985% * 99.9232% (0.97  10.0   5.72 149.00) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  10.72 +/- 0.49   0.014% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  21.55 +/- 0.74   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.915, support = 5.8, residual support = 41.4:
          HN    ALA   34 - QB    LYS+  33   2.88 +/- 0.18  94.252% * 67.8578% (0.92   5.86  42.27) =  97.231%  kept
          HN    GLN   32 - QB    LYS+  33   4.77 +/- 0.35   5.744% * 31.7105% (0.65   3.91  10.96) =   2.769%  kept
          HN    LEU   80 - QB    LYS+  33  17.05 +/- 0.75   0.003% *  0.2096% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  20.14 +/- 1.04   0.001% *  0.0698% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  25.30 +/- 0.87   0.000% *  0.1522% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  10.88 +/- 2.33  79.795% *  8.4971% (0.20   0.02   0.02) =  55.132%  kept
          HN    ILE  103 - QB    LYS+  33  15.57 +/- 0.77  13.955% * 24.3087% (0.57   0.02   0.02) =  27.584%  kept
          HN    SER   82 - QB    LYS+  33  18.71 +/- 0.82   4.775% * 34.3809% (0.80   0.02   0.02) =  13.350%  kept
          HN    GLN   90 - QB    LYS+  33  22.31 +/- 0.91   1.475% * 32.8133% (0.76   0.02   0.02) =   3.934%  kept
    Distance limit 3.76 A violated in 20 structures by 6.58 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.526, support = 5.39, residual support = 149.0:
      O   HA    LYS+  33 - HG2   LYS+  33   3.62 +/- 0.44  82.429% * 98.3393% (0.53  10.0   5.39 149.00) =  99.983%  kept
          HB2   SER   37 - HG2   LYS+  33   6.64 +/- 1.35   5.727% *  0.1561% (0.84   1.0   0.02   0.02) =   0.011%
          HB2   SER   82 - QG    LYS+  81   5.97 +/- 0.90   9.303% *  0.0249% (0.13   1.0   0.02  12.94) =   0.003%
          HA    GLU-  29 - HG2   LYS+  33   7.22 +/- 1.32   1.926% *  0.0702% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+  33  10.32 +/- 1.86   0.391% *  0.1561% (0.84   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+  33  13.73 +/- 2.74   0.068% *  0.0910% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+  33  12.69 +/- 1.53   0.074% *  0.0638% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.33 +/- 0.78   0.026% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.82 +/- 1.00   0.010% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  17.72 +/- 1.09   0.007% *  0.0387% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  17.37 +/- 0.81   0.008% *  0.0336% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  21.41 +/- 0.91   0.002% *  0.0947% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  18.24 +/- 0.76   0.006% *  0.0305% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  18.96 +/- 1.67   0.005% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  20.84 +/- 1.73   0.003% *  0.0552% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  20.46 +/- 1.28   0.003% *  0.0520% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  26.04 +/- 1.87   0.001% *  0.1561% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.07 +/- 1.08   0.002% *  0.0596% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  23.37 +/- 0.62   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.51 +/- 1.25   0.002% *  0.0425% (0.23   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  24.47 +/- 1.60   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  22.57 +/- 0.79   0.002% *  0.0471% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.51 +/- 0.83   0.001% *  0.0747% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  24.18 +/- 0.75   0.001% *  0.0436% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.65, residual support = 122.9:
        T QD1   ILE   56 - QG2   ILE   56   3.16 +/- 0.34  99.783% * 99.6085% (0.98 10.00   4.65 122.95) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.32 +/- 1.24   0.071% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  13.40 +/- 0.83   0.021% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.60 +/- 1.10   0.020% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.36 +/- 1.47   0.099% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  16.91 +/- 1.46   0.005% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.53 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   3.17 +/- 1.07  98.718% * 49.9558% (0.99 10.00   0.02   0.02) =  99.941%  kept
          HA    GLU- 114 - QG2   ILE   56   9.36 +/- 0.75   1.235% *  1.2568% (0.25  1.00   0.02   0.02) =   0.031%
        T HA    ILE   19 - QG2   ILE   56  14.01 +/- 1.09   0.032% * 42.0992% (0.84 10.00   0.02   0.02) =   0.027%
          HA    THR   26 - QG2   ILE   56  19.11 +/- 1.20   0.005% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  19.89 +/- 1.44   0.004% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  18.74 +/- 1.39   0.007% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 2 structures by 0.44 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.805, support = 2.54, residual support = 12.6:
          HA    PHE   55 - QG2   ILE   56   5.67 +/- 0.49  13.943% * 87.0787% (0.92   3.87  17.72) =  57.469%  kept
          HA    ALA  110 - QG2   ILE   56   4.34 +/- 2.34  75.933% * 11.8194% (0.65   0.75   5.72) =  42.482%  kept
          HA    THR   46 - QG2   ILE   56   5.65 +/- 1.33   9.816% *  0.0964% (0.20   0.02   0.02) =   0.045%
          HA    VAL   42 - QG2   ILE   56  11.04 +/- 1.04   0.127% *  0.3901% (0.80   0.02   0.02) =   0.002%
          HA    GLN   90 - QG2   ILE   56  11.21 +/- 1.70   0.123% *  0.3723% (0.76   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   ILE   56  12.77 +/- 0.96   0.056% *  0.1215% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.07 +/- 0.89   0.002% *  0.1215% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 1 structures by 0.38 A, kept.
 
    Peak 2495 (6.89, 1.27, 17.92 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG2   ILE   56  10.01 +/- 0.58 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.88 A violated in 20 structures by 7.13 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.34, residual support = 33.5:
          HN    ALA   57 - QG2   ILE   56   3.39 +/- 0.71  91.705% * 99.1190% (0.92   5.34  33.49) =  99.969%  kept
          HE21  GLN  116 - QG2   ILE   56   9.45 +/- 2.54   7.947% *  0.3490% (0.87   0.02   0.02) =   0.031%
          HN    ALA  120 - QG2   ILE   56  10.19 +/- 1.22   0.319% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  14.11 +/- 1.77   0.030% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.5, residual support = 122.9:
          HN    ILE   56 - QG2   ILE   56   2.96 +/- 0.28  85.406% * 98.4989% (0.65   6.50 122.95) =  99.981%  kept
          QE    PHE   60 - QG2   ILE   56   6.03 +/- 1.81  11.888% *  0.0927% (0.20   0.02   2.16) =   0.013%
          HN    LYS+ 111 - QG2   ILE   56   5.92 +/- 1.46   2.099% *  0.1302% (0.28   0.02   2.22) =   0.003%
          HN    LEU   63 - QG2   ILE   56   7.12 +/- 0.57   0.587% *  0.3579% (0.76   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QG2   ILE   56  14.08 +/- 1.36   0.008% *  0.3579% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  14.07 +/- 1.47   0.008% *  0.1302% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  17.47 +/- 1.65   0.002% *  0.4323% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 2.52, residual support = 6.45:
        T HB    THR   39 - QB    ALA   34   3.90 +/- 0.59  61.966% * 90.5524% (0.80 10.00   2.56   6.64) =  96.830%  kept
          HB3   SER   37 - QB    ALA   34   4.60 +/- 0.29  26.955% *  5.2652% (0.69  1.00   1.36   0.98) =   2.449%  kept
          HA    GLN   30 - QB    ALA   34   5.30 +/- 0.31  10.980% *  3.8013% (0.44  1.00   1.55   0.44) =   0.720%  kept
          QB    SER   13 - QB    ALA   34  13.17 +/- 1.33   0.052% *  0.0932% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  15.20 +/- 0.90   0.020% *  0.1001% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  17.28 +/- 0.65   0.009% *  0.0772% (0.69  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  16.03 +/- 0.54   0.013% *  0.0379% (0.34  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.90 +/- 0.63   0.001% *  0.0572% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.83 +/- 0.56   0.004% *  0.0156% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 4.71:
          HA    LEU   31 - QB    ALA   34   2.26 +/- 0.17 100.000% *100.0000% (0.65   0.75   4.71) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.749, support = 2.96, residual support = 9.31:
        T QG1   VAL   41 - QB    ALA   34   1.98 +/- 0.34  98.121% * 98.5777% (0.75 10.00   2.96   9.31) =  99.998%  kept
          QD2   LEU   73 - QB    ALA   34   4.77 +/- 0.67   0.930% *  0.0945% (0.72  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QB    ALA   34   4.91 +/- 0.47   0.755% *  0.1089% (0.83  1.00   0.02   4.71) =   0.001%
          QG1   VAL   43 - QB    ALA   34   6.00 +/- 0.33   0.186% *  0.0763% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.42 +/- 0.41   0.007% *  0.4852% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  16.66 +/- 0.66   0.000% *  0.6209% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.31 +/- 0.60   0.002% *  0.0364% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.33, residual support = 18.8:
          HN    ASN   35 - QB    ALA   34   2.94 +/- 0.06  99.935% * 98.6076% (0.62   3.33  18.79) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34  10.34 +/- 0.58   0.057% *  0.2661% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  15.69 +/- 1.69   0.006% *  0.8602% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.43 +/- 0.48   0.001% *  0.2661% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2502 (8.09, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.58, support = 3.69, residual support = 25.4:
      O   HN    ALA   34 - QB    ALA   34   2.04 +/- 0.09  99.995% * 99.6936% (0.58  10.0   3.69  25.39) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  10.94 +/- 0.21   0.004% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  15.27 +/- 0.51   0.001% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.38 +/- 0.50   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 3.5, residual support = 25.4:
      O   HN    ALA   34 - HA    ALA   34   2.76 +/- 0.01  99.602% * 99.6949% (0.87  10.0   3.50  25.39) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.93 +/- 0.11   0.396% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA   34  20.21 +/- 0.64   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  27.37 +/- 0.62   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  22.67 +/- 1.89   0.000% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  27.43 +/- 0.98   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  31.73 +/- 1.42   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  26.36 +/- 1.85   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.885, support = 2.13, residual support = 4.5:
          HB    THR   39 - HA    ALA   34   3.35 +/- 0.57  39.606% * 69.4432% (0.88   2.76   6.64) =  62.171%  kept
          HB3   SER   37 - HA    ALA   34   3.07 +/- 0.34  59.999% * 27.8916% (0.89   1.09   0.98) =  37.828%  kept
          HA    GLN   30 - HA    ALA   34   7.01 +/- 0.41   0.379% *  0.0899% (0.16   0.02   0.44) =   0.001%
          QB    SER   13 - HA    ALA   34  14.53 +/- 1.69   0.006% *  0.4957% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.23 +/- 0.38   0.005% *  0.0901% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  17.59 +/- 2.22   0.002% *  0.1156% (0.20   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  20.44 +/- 1.07   0.001% *  0.3730% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.64 +/- 0.65   0.001% *  0.3925% (0.69   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  23.02 +/- 0.78   0.000% *  0.5125% (0.89   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  20.48 +/- 2.41   0.001% *  0.1176% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  20.93 +/- 2.04   0.001% *  0.1138% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  28.26 +/- 1.56   0.000% *  0.1176% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  30.50 +/- 0.75   0.000% *  0.1143% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  25.50 +/- 1.63   0.000% *  0.0206% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  33.70 +/- 1.77   0.000% *  0.0856% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  30.67 +/- 1.03   0.000% *  0.0263% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.03, residual support = 55.5:
      O T HA    ASN   35 - HB2   ASN   35   2.74 +/- 0.05  99.902% * 97.5620% (0.90  10.0 10.00   4.03  55.47) = 100.000%  kept
        T HA    LEU   40 - HB2   ASN   35  10.19 +/- 0.65   0.041% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.70 +/- 0.33   0.010% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35  10.53 +/- 0.80   0.035% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  16.96 +/- 1.90   0.002% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.92 +/- 0.43   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.03 +/- 1.60   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.36 +/- 0.51   0.002% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  19.85 +/- 2.08   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  24.12 +/- 1.88   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  21.66 +/- 1.94   0.000% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.07 +/- 1.42   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  27.92 +/- 1.59   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.55 +/- 1.29   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  28.16 +/- 1.48   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  25.69 +/- 1.64   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  31.82 +/- 0.97   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  31.98 +/- 0.80   0.000% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.87, residual support = 55.5:
      O   HN    ASN   35 - HB2   ASN   35   2.82 +/- 0.60  99.887% * 99.6071% (0.57  10.0   5.87  55.47) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  11.38 +/- 0.92   0.034% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.49 +/- 0.32   0.065% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  19.05 +/- 2.95   0.002% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  16.40 +/- 0.82   0.005% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  18.98 +/- 1.94   0.003% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  21.43 +/- 2.51   0.001% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.44 +/- 1.66   0.002% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.51 +/- 2.26   0.001% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  23.26 +/- 2.84   0.001% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 55.5:
      O   HD21  ASN   35 - HB2   ASN   35   2.72 +/- 0.52  99.844% * 99.7208% (1.00  10.0   3.60  55.47) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.04 +/- 0.70   0.086% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  10.53 +/- 1.44   0.064% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  17.63 +/- 1.77   0.002% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.33 +/- 0.89   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  20.25 +/- 2.45   0.001% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.74 +/- 1.28   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.29 +/- 0.69   0.001% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  27.18 +/- 1.43   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  31.83 +/- 1.99   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.91, support = 2.27, residual support = 7.97:
        T HA    GLN   32 - HB2   ASN   35   3.82 +/- 0.81  52.530% * 74.1394% (0.99 10.00   2.06   5.83) =  90.558%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.91 +/- 0.24  41.782% *  7.9371% (0.11 10.00   4.74  34.58) =   7.711%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.56 +/- 0.24   4.495% * 16.5044% (0.22 10.00   1.98   1.43) =   1.725%  kept
        T HA    GLN   32 - HB2   ASN   28   7.72 +/- 0.52   0.719% *  0.2306% (0.31 10.00   0.02   0.02) =   0.004%
        T HA    GLU-  29 - HB2   ASN   35   9.03 +/- 0.90   0.230% *  0.2552% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.64 +/- 0.62   0.102% *  0.0518% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  11.34 +/- 1.04   0.093% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.55 +/- 1.28   0.001% *  0.3354% (0.45 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  14.09 +/- 0.65   0.019% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  18.09 +/- 1.09   0.004% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.25 +/- 1.11   0.001% *  0.1043% (0.14 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  19.84 +/- 2.56   0.003% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  18.39 +/- 0.66   0.004% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.35 +/- 0.67   0.008% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  20.88 +/- 1.33   0.002% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  24.34 +/- 1.61   0.001% *  0.0733% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  20.91 +/- 1.45   0.002% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.77 +/- 1.32   0.001% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  21.58 +/- 1.70   0.002% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.59 +/- 1.55   0.000% *  0.0625% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.13 +/- 0.89   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.91 +/- 1.47   0.000% *  0.0733% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  25.79 +/- 1.39   0.000% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  28.76 +/- 0.93   0.000% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.86, residual support = 51.9:
          QB    GLU-  36 - HB3   ASN   35   4.11 +/- 0.12  96.531% * 98.6117% (0.99   4.86  51.93) =  99.996%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.54 +/- 0.52   2.905% *  0.0716% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB3   ASN   35  10.40 +/- 0.31   0.389% *  0.3776% (0.92   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB3   ASN   35  11.95 +/- 0.42   0.170% *  0.2316% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  22.49 +/- 1.13   0.004% *  0.3948% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  28.48 +/- 1.13   0.001% *  0.3126% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.758, support = 5.18, residual support = 46.7:
          QB    GLU-  36 - HB2   ASN   35   4.74 +/- 0.31  30.132% * 68.4120% (0.99  1.00   5.29  51.93) =  70.082%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.37 +/- 0.38  50.230% * 11.6286% (0.18  1.00   5.06  34.58) =  19.858%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.28 +/- 0.40  16.824% * 17.5737% (0.29  1.00   4.69  34.58) =  10.052%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.38 +/- 0.63   2.248% *  0.0457% (0.18  1.00   0.02   0.02) =   0.003%
        T HB3   GLU-  79 - HB2   ASN   28  13.03 +/- 1.21   0.081% *  0.7840% (0.30 10.00   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB2   ASN   35  10.99 +/- 0.94   0.218% *  0.2411% (0.92  1.00   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  12.44 +/- 0.98   0.105% *  0.1478% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.52 +/- 0.55   0.144% *  0.0805% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  21.25 +/- 1.29   0.004% *  0.6208% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  22.65 +/- 1.37   0.003% *  0.2520% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.45 +/- 0.42   0.011% *  0.0142% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  28.31 +/- 1.53   0.001% *  0.1996% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.555, support = 1.83, residual support = 5.14:
          HA    GLN   32 - HB3   ASN   35   3.32 +/- 0.43  88.271% * 36.0885% (0.49  1.00   1.90   5.83) =  84.261%  kept
          HA    LYS+  33 - HB3   ASN   35   4.84 +/- 0.34  11.363% * 52.3427% (0.92  1.00   1.46   1.43) =  15.731%  kept
          HA    GLU-  29 - HB3   ASN   35   8.53 +/- 0.37   0.333% *  0.7717% (0.99  1.00   0.02   0.02) =   0.007%
        T HA    VAL   18 - HB3   ASN   35  17.96 +/- 0.81   0.004% *  7.7682% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  13.19 +/- 0.68   0.026% *  0.5036% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  20.87 +/- 1.18   0.002% *  0.7768% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  24.61 +/- 1.26   0.001% *  0.4096% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  28.02 +/- 1.02   0.000% *  0.5036% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.57 +/- 1.16   0.000% *  0.5950% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  32.04 +/- 0.84   0.000% *  0.2403% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.5:
      O   HA    ASN   35 - HB3   ASN   35   3.01 +/- 0.03  99.890% * 99.4336% (0.90  10.0   3.95  55.47) = 100.000%  kept
          HA    LEU   40 - HB3   ASN   35  10.50 +/- 0.37   0.056% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   ASN   35  10.95 +/- 0.54   0.046% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  16.66 +/- 2.06   0.005% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  19.43 +/- 2.31   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  24.41 +/- 1.87   0.000% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  29.26 +/- 1.02   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  27.97 +/- 1.37   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  32.20 +/- 0.77   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 55.5:
      O   HD21  ASN   35 - HB3   ASN   35   2.60 +/- 0.43  99.997% * 99.8105% (1.00  10.0   3.26  55.47) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  17.17 +/- 1.72   0.002% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.39 +/- 0.71   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.91 +/- 1.48   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  27.37 +/- 1.25   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 51.9:
          HN    GLU-  36 - HB3   ASN   35   2.92 +/- 0.10  99.464% * 98.9717% (0.97   5.91  51.93) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   7.13 +/- 0.21   0.483% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  11.11 +/- 1.12   0.042% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  13.68 +/- 0.51   0.010% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  19.49 +/- 0.88   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 55.5:
      O   HN    ASN   35 - HB3   ASN   35   2.51 +/- 0.39 100.000% * 99.9102% (0.97  10.0   5.88  55.47) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  20.90 +/- 2.56   0.000% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 55.5:
      O   HD22  ASN   35 - HB3   ASN   35   3.67 +/- 0.20 100.000% *100.0000% (0.99  10.0   3.26  55.47) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 51.9:
          HN    GLU-  36 - HB2   ASN   35   3.50 +/- 0.13  98.222% * 98.9280% (0.92   6.05  51.93) =  99.996%  kept
          HN    THR   39 - HB2   ASN   35   7.14 +/- 0.29   1.486% *  0.1863% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   35  10.57 +/- 1.05   0.164% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.95 +/- 0.43   0.067% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  13.64 +/- 0.55   0.029% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  16.45 +/- 1.27   0.010% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.89 +/- 0.34   0.017% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  19.26 +/- 1.30   0.004% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.58, residual support = 86.8:
      O T HA    GLU-  36 - QB    GLU-  36   2.44 +/- 0.17  99.992% * 99.4140% (0.84  10.0 10.00   5.58  86.78) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.52 +/- 0.69   0.006% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.57 +/- 0.90   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  18.48 +/- 0.80   0.001% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  23.55 +/- 0.71   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  22.63 +/- 1.99   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.43 +/- 0.76   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  29.25 +/- 0.78   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.93 +/- 1.58   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  29.79 +/- 1.61   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 19.1:
          HN    SER   37 - QB    GLU-  36   3.35 +/- 0.21  86.992% * 95.6964% (0.45   3.72  19.09) =  99.958%  kept
          HN    LYS+  33 - QB    GLU-  36   4.84 +/- 0.20   9.986% *  0.3190% (0.28   0.02   0.02) =   0.038%
          HN    LYS+  33 - HB3   GLU-  29   6.10 +/- 0.53   2.825% *  0.0988% (0.09   0.02   0.02) =   0.003%
          HN    CYS   21 - HB3   GLU-  29  10.16 +/- 0.73   0.135% *  0.3431% (0.30   0.02   0.02) =   0.001%
          HN    CYS   21 - QB    GLU-  36  15.19 +/- 0.50   0.010% *  1.1074% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.87 +/- 0.68   0.048% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  23.94 +/- 0.84   0.001% *  0.9953% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  23.63 +/- 1.02   0.001% *  0.7423% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  21.29 +/- 1.26   0.002% *  0.2300% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.19 +/- 0.77   0.000% *  0.3084% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 86.8:
      O   HN    GLU-  36 - QB    GLU-  36   2.12 +/- 0.07  99.843% * 99.6455% (0.69  10.0   7.31  86.78) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.30 +/- 0.27   0.144% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.06 +/- 1.05   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.26 +/- 0.60   0.008% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.50 +/- 0.65   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.16 +/- 1.21   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.63 +/- 0.49   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  20.30 +/- 0.69   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  17.58 +/- 0.84   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  22.06 +/- 0.63   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.86, residual support = 86.8:
          HN    GLU-  36 - HG2   GLU-  36   3.59 +/- 0.51  99.972% * 98.4036% (0.28   4.86  86.78) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  14.96 +/- 1.16   0.026% *  0.6535% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  21.44 +/- 1.00   0.003% *  0.9429% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 4.86, residual support = 86.8:
          HN    GLU-  36 - HG3   GLU-  36   4.08 +/- 0.08  97.977% * 98.8143% (0.69   4.86  86.78) =  99.997%  kept
          HN    THR   39 - HG3   GLU-  36   8.31 +/- 1.06   1.909% *  0.1647% (0.28   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HG3   GLU-  36  15.80 +/- 1.19   0.033% *  0.5139% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  17.36 +/- 3.02   0.035% *  0.0507% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  16.87 +/- 2.55   0.036% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  22.18 +/- 0.68   0.004% *  0.1477% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  23.98 +/- 0.82   0.002% *  0.1829% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  25.10 +/- 2.11   0.002% *  0.0640% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.17 +/- 1.58   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  29.12 +/- 2.16   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.06, residual support = 86.8:
      O   HN    GLU-  36 - HA    GLU-  36   2.84 +/- 0.01  99.989% * 99.6076% (0.28  10.0   6.06  86.78) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  13.39 +/- 1.14   0.011% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  20.24 +/- 0.52   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2525 (7.91, 4.03, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.43, residual support = 26.3:
      O   HN    SER   37 - HB2   SER   37   3.47 +/- 0.34  99.987% * 99.7690% (0.98  10.0   3.43  26.27) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  16.27 +/- 0.75   0.011% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  22.29 +/- 0.81   0.002% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  25.98 +/- 1.00   0.001% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2526 (8.29, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.507, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  10.93 +/- 0.53  39.162% * 12.9780% (0.47   0.02   0.02) =  46.987%  kept
          HN    GLU-  29 - HB3   SER   37  13.21 +/- 0.57  12.501% * 22.4691% (0.82   0.02   0.02) =  25.968%  kept
          HN    VAL   18 - QB    SER   13  11.14 +/- 1.39  37.497% *  4.8772% (0.18   0.02   0.02) =  16.907%  kept
          HN    GLN   30 - QB    SER   13  16.64 +/- 1.92   4.012% *  9.9312% (0.36   0.02   0.02) =   3.684%  kept
          HN    GLU-  29 - QB    SER   13  18.56 +/- 2.04   2.068% * 17.1942% (0.63   0.02   0.02) =   3.288%  kept
          HN    VAL   18 - HB3   SER   37  15.94 +/- 1.11   4.238% *  6.3735% (0.23   0.02   0.02) =   2.497%  kept
          HN    ASP-  86 - HB3   SER   37  23.68 +/- 1.31   0.383% * 14.8290% (0.54   0.02   0.02) =   0.525%  kept
          HN    ASP-  86 - QB    SER   13  28.06 +/- 1.86   0.138% * 11.3477% (0.41   0.02   0.02) =   0.145%
    Distance limit 3.75 A violated in 20 structures by 5.49 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.55, residual support = 217.8:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.01  96.614% * 99.8691% (0.92  10.0   6.55 217.82) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.03 +/- 0.01   2.644% *  0.0270% (0.25   1.0   0.02  12.81) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   5.46 +/- 0.74   0.616% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.09 +/- 0.69   0.109% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.53 +/- 0.22   0.008% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  10.81 +/- 0.88   0.008% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.11 +/- 0.66   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.66 +/- 0.45   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.19 +/- 0.81   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.11 +/- 0.82   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.25, residual support = 22.9:
      O   HN    THR   39 - HA    LYS+  38   3.07 +/- 0.03  86.745% * 99.6467% (0.92  10.0   6.25  22.87) =  99.995%  kept
          HN    GLU-  36 - HA    LYS+  38   5.38 +/- 0.04   3.023% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   4.97 +/- 0.57   5.777% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    LYS+  38   8.27 +/- 1.26   0.314% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   5.42 +/- 0.72   3.805% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   7.93 +/- 0.60   0.324% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.51 +/- 0.35   0.004% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  20.32 +/- 0.90   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  18.29 +/- 1.02   0.002% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  16.50 +/- 0.99   0.004% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 0.02, residual support = 12.8:
          HN    SER   37 - HB2   LYS+  38   4.64 +/- 0.07  99.972% * 32.1378% (1.00   0.02  12.81) =  99.985%  kept
          HN    ILE  119 - HB2   LYS+  38  22.80 +/- 1.14   0.008% * 25.7912% (0.80   0.02   0.02) =   0.006%
          HN    CYS   21 - HB2   LYS+  38  19.75 +/- 0.54   0.017% * 10.9869% (0.34   0.02   0.02) =   0.006%
          HN    ILE   89 - HB2   LYS+  38  26.46 +/- 1.20   0.003% * 31.0842% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.65 A violated in 17 structures by 0.99 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.453, support = 5.31, residual support = 22.6:
          HN    THR   39 - HB2   LYS+  38   4.25 +/- 0.16  90.795% * 88.6103% (0.45   5.37  22.87) =  98.911%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.42 +/- 0.28   8.546% * 10.3095% (0.87   0.32   0.63) =   1.083%  kept
          HN    LYS+ 102 - HB2   LYS+  38  10.36 +/- 1.39   0.655% *  0.7217% (0.98   0.02   0.02) =   0.006%
          HD1   TRP   87 - HB2   LYS+  38  23.09 +/- 0.98   0.004% *  0.3584% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 5 structures by 0.92 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.787, support = 5.8, residual support = 211.0:
          HN    LYS+  38 - HG2   LYS+  38   3.32 +/- 0.25  90.174% * 75.0482% (0.80   5.86 217.82) =  96.690%  kept
          HN    SER   37 - HG2   LYS+  38   4.86 +/- 0.14   9.409% * 24.6196% (0.38   4.10  12.81) =   3.310%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.87 +/- 0.50   0.307% *  0.0699% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.47 +/- 0.51   0.108% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  25.64 +/- 1.15   0.000% *  0.0713% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  21.76 +/- 1.06   0.001% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.84 +/- 0.59   0.000% *  0.1092% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.51 +/- 0.79   0.000% *  0.0298% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.779, support = 5.56, residual support = 207.5:
          HN    LYS+  38 - HG3   LYS+  38   3.99 +/- 0.12  87.143% * 72.0448% (0.80   5.61 217.82) =  94.989%  kept
          HN    SER   37 - HG3   LYS+  38   5.57 +/- 0.16  11.949% * 27.7163% (0.38   4.61  12.81) =   5.011%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.24 +/- 0.86   0.663% *  0.0268% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  10.86 +/- 0.88   0.239% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  25.89 +/- 1.77   0.001% *  0.0714% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  33.00 +/- 1.07   0.000% *  0.1093% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.77 +/- 1.01   0.004% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.66 +/- 0.89   0.001% *  0.0114% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.74, residual support = 38.3:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.02  96.025% * 95.2512% (0.97  10.0   3.75  38.37) =  99.825%  kept
          HN    LYS+ 102 - HA    ILE  103   4.96 +/- 0.23   3.693% *  4.3250% (0.24   1.0   3.65  22.39) =   0.174%
          HN    GLU-  36 - HA    THR   39   8.29 +/- 0.16   0.163% *  0.0885% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.75 +/- 1.27   0.080% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.73 +/- 1.45   0.015% *  0.0320% (0.32   1.0   0.02   0.22) =   0.000%
          HN    THR   39 - HA    ILE  103  12.87 +/- 0.62   0.012% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.47 +/- 0.58   0.004% *  0.0292% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.97 +/- 0.69   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.60 +/- 0.67   0.001% *  0.0967% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.02 +/- 1.33   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  18.35 +/- 1.44   0.002% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.09 +/- 0.78   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.04, residual support = 23.7:
      O   HN    LEU   40 - HA    THR   39   2.29 +/- 0.02  99.647% * 99.8247% (0.57  10.0   4.04  23.70) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.17 +/- 0.36   0.277% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   7.97 +/- 0.74   0.067% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.80 +/- 0.70   0.010% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.75, residual support = 38.4:
      O   HN    THR   39 - HB    THR   39   2.57 +/- 0.18  99.718% * 99.6727% (0.97  10.0   3.75  38.37) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   7.04 +/- 0.29   0.256% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.04 +/- 1.26   0.022% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  14.79 +/- 0.90   0.003% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  19.79 +/- 0.89   0.001% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  26.48 +/- 1.00   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.93, residual support = 23.7:
          HN    LEU   40 - HB    THR   39   3.89 +/- 0.20  99.219% * 99.9091% (0.98   3.93  23.70) =  99.999%  kept
          HN    GLY  101 - HB    THR   39   8.95 +/- 0.86   0.781% *  0.0909% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.02, residual support = 0.02:
          HN    LEU   71 - QG2   THR   39   2.79 +/- 0.48  99.936% *  9.9077% (0.60   0.02   0.02) =  99.964%  kept
          HN    GLU- 114 - QB    ALA   91  12.99 +/- 2.31   0.020% *  6.6763% (0.40   0.02   0.02) =   0.013%
          HN    GLN  116 - QB    ALA   91  14.80 +/- 2.23   0.008% *  5.6891% (0.34   0.02   0.02) =   0.005%
          HN    LEU   71 - QG2   THR   23  15.57 +/- 0.58   0.005% *  5.5597% (0.33   0.02   0.02) =   0.003%
          HN    THR  118 - QG2   THR   39  16.61 +/- 0.64   0.003% *  8.1660% (0.49   0.02   0.02) =   0.003%
          HN    PHE   60 - QB    ALA   91  13.72 +/- 0.83   0.011% *  2.3233% (0.14   0.02   0.02) =   0.003%
          HN    THR  118 - QB    ALA   91  15.15 +/- 2.10   0.006% *  3.8562% (0.23   0.02   0.02) =   0.002%
          HN    PHE   60 - QG2   THR   39  15.47 +/- 0.81   0.005% *  4.9200% (0.30   0.02   0.02) =   0.002%
          HN    GLN  116 - QG2   THR   39  18.68 +/- 0.70   0.002% * 12.0477% (0.72   0.02   0.02) =   0.002%
          HN    GLU- 114 - QG2   THR   39  20.79 +/- 0.62   0.001% * 14.1381% (0.85   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   23  17.61 +/- 1.35   0.002% *  2.7609% (0.17   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    ALA   91  21.24 +/- 0.97   0.001% *  4.6786% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  24.53 +/- 1.28   0.000% *  7.9335% (0.48   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  23.84 +/- 1.13   0.000% *  6.7605% (0.41   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  23.16 +/- 1.04   0.000% *  4.5823% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.7, residual support = 23.7:
          HN    LEU   40 - QG2   THR   39   2.72 +/- 0.56  99.997% * 99.4441% (0.66   3.70  23.70) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  18.14 +/- 0.72   0.002% *  0.3019% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  22.67 +/- 1.15   0.001% *  0.2540% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.6, support = 3.09, residual support = 13.6:
      O   HN    ALA   91 - QB    ALA   91   2.39 +/- 0.16  75.943% * 89.0384% (0.61  10.0   3.08  12.86) =  96.981%  kept
          HN    THR   39 - QG2   THR   39   3.25 +/- 0.60  20.897% * 10.0715% (0.38   1.0   3.63  38.37) =   3.018%  kept
          HN    TRP   27 - QG2   THR   23   4.50 +/- 0.87   2.908% *  0.0142% (0.10   1.0   0.02   0.93) =   0.001%
          HN    GLU-  36 - QG2   THR   39   6.98 +/- 1.07   0.172% *  0.0260% (0.18   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   91   9.14 +/- 0.54   0.028% *  0.1122% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   9.55 +/- 1.02   0.022% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.26 +/- 0.92   0.009% *  0.0366% (0.25   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  12.80 +/- 1.44   0.004% *  0.0640% (0.44   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  15.33 +/- 0.87   0.001% *  0.0772% (0.53   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  11.43 +/- 0.71   0.007% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  17.94 +/- 0.43   0.000% *  0.1355% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.57 +/- 0.81   0.002% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.69 +/- 1.01   0.001% *  0.0530% (0.36   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  15.83 +/- 1.21   0.001% *  0.0173% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  15.95 +/- 1.24   0.001% *  0.0094% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  24.50 +/- 1.04   0.000% *  0.1175% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.33 +/- 1.53   0.000% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  17.28 +/- 0.65   0.001% *  0.0124% (0.08   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  14.37 +/- 0.66   0.002% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.83 +/- 1.44   0.001% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  15.86 +/- 0.87   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  22.01 +/- 0.84   0.000% *  0.0420% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  25.73 +/- 0.87   0.000% *  0.0551% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  18.83 +/- 1.21   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.04, residual support = 8.96:
          HN    MET   92 - QB    ALA   91   3.07 +/- 0.29  99.117% * 96.4954% (0.87   3.04   8.96) =  99.998%  kept
          HN    THR   46 - QB    ALA   91   9.28 +/- 0.38   0.146% *  0.7182% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  74 - QG2   THR   23   8.10 +/- 0.83   0.469% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QB    ALA   91  12.23 +/- 2.13   0.092% *  0.2499% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.18 +/- 0.79   0.056% *  0.3001% (0.41   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  10.87 +/- 1.12   0.086% *  0.0755% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  15.87 +/- 0.40   0.006% *  0.6356% (0.87   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  15.11 +/- 2.48   0.015% *  0.1820% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.99 +/- 0.64   0.004% *  0.3391% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  17.48 +/- 0.96   0.004% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  23.00 +/- 0.76   0.001% *  0.3001% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  21.31 +/- 3.23   0.002% *  0.0405% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.30 +/- 0.84   0.001% *  0.1180% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  33.96 +/- 1.79   0.000% *  0.3855% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.33 +/- 1.09   0.000% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.691, support = 4.98, residual support = 63.1:
          HA    LEU   40 - QD2   LEU   40   2.66 +/- 0.47  49.925% * 55.5444% (0.61   6.08 101.91) =  56.305%  kept
          HA    LYS+  99 - QD2   LEU   40   2.74 +/- 0.69  49.958% * 43.0758% (0.80   3.57  13.07) =  43.694%  kept
          HA    ASN   35 - QD2   LEU   40   9.03 +/- 0.44   0.041% *  0.2782% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40   9.95 +/- 1.36   0.029% *  0.2987% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  11.05 +/- 1.41   0.036% *  0.1239% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  15.23 +/- 1.15   0.003% *  0.2850% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  14.71 +/- 1.42   0.004% *  0.1351% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  15.52 +/- 1.02   0.002% *  0.1239% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.28 +/- 0.67   0.001% *  0.1351% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.97, support = 4.31, residual support = 99.2:
          HA    LEU   40 - QD1   LEU   40   3.79 +/- 0.32  62.646% * 92.5754% (0.99   4.42 101.91) =  96.923%  kept
          HA    LYS+  99 - QD1   LEU   40   4.27 +/- 0.67  35.282% *  5.2050% (0.31   0.80  13.07) =   3.069%  kept
          HA    LEU  123 - QD1   LEU   40   8.34 +/- 1.56   1.248% *  0.2564% (0.61   0.02   0.02) =   0.005%
          HA    GLU-  15 - QD1   LEU   40  10.44 +/- 0.76   0.168% *  0.3791% (0.90   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.31 +/- 1.23   0.283% *  0.1305% (0.31   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40  10.29 +/- 0.52   0.163% *  0.1895% (0.45   0.02   0.02) =   0.001%
          HA    SER   37 - QD1   LEU   40  10.93 +/- 0.25   0.122% *  0.1305% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  13.97 +/- 0.68   0.030% *  0.3902% (0.92   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  14.88 +/- 0.96   0.021% *  0.3791% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  14.78 +/- 0.85   0.021% *  0.2057% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  15.26 +/- 0.52   0.016% *  0.1586% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.684, support = 0.53, residual support = 0.709:
        T HB3   HIS  122 - QD1   LEU   40   5.35 +/- 1.36  78.046% * 96.0374% (0.69 10.00   0.53   0.71) =  99.135%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.06 +/- 2.20  19.649% *  3.3171% (0.34  1.00   0.37   0.02) =   0.862%  kept
          QE    LYS+  74 - QD1   LEU   40  11.09 +/- 0.87   2.124% *  0.0922% (0.18  1.00   0.02   0.02) =   0.003%
          HB3   ASP-  78 - QD1   LEU   40  20.97 +/- 0.69   0.048% *  0.4721% (0.90  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD1   LEU   40  17.55 +/- 0.67   0.133% *  0.0812% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 12 structures by 1.43 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.904, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD1   LEU   40   9.77 +/- 0.74  48.722% * 23.0961% (0.84   0.02   0.02) =  45.211%  kept
          HE21  GLN   30 - QD1   LEU   40  10.16 +/- 0.81  39.136% * 27.6510% (1.00   0.02   0.02) =  43.477%  kept
          HD1   TRP   27 - QD1   LEU   40  12.80 +/- 1.55  11.770% * 23.0961% (0.84   0.02   0.02) =  10.921%  kept
          HH2   TRP   49 - QD1   LEU   40  22.27 +/- 1.59   0.372% * 26.1568% (0.95   0.02   0.02) =   0.391%
    Distance limit 3.69 A violated in 20 structures by 4.88 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.917, support = 0.0199, residual support = 0.0199:
          HE21  GLN   30 - QD2   LEU   40   9.56 +/- 1.14  47.042% * 27.6510% (1.00   0.02   0.02) =  51.516%  kept
          QD    PHE   59 - QD2   LEU   40  10.25 +/- 1.21  32.185% * 23.0961% (0.84   0.02   0.02) =  29.440%  kept
          HD1   TRP   27 - QD2   LEU   40  11.40 +/- 1.85  20.414% * 23.0961% (0.84   0.02   0.02) =  18.673%  kept
          HH2   TRP   49 - QD2   LEU   40  21.95 +/- 1.59   0.358% * 26.1568% (0.95   0.02   0.02) =   0.371%
    Distance limit 3.51 A violated in 20 structures by 4.84 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.49, residual support = 18.9:
          HN    VAL   41 - QD2   LEU   40   2.53 +/- 0.48 100.000% *100.0000% (0.73   4.49  18.90) = 100.000%  kept
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 8.78:
          HN    LEU   98 - QD2   LEU   40   3.22 +/- 0.54 100.000% *100.0000% (0.97   4.30   8.78) = 100.000%  kept
    Distance limit 3.47 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 101.9:
      O   HN    LEU   40 - HB3   LEU   40   2.63 +/- 0.22  99.626% * 99.9683% (0.98  10.0   4.86 101.91) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   7.43 +/- 1.18   0.373% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  18.96 +/- 1.12   0.001% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.08 +/- 0.70   0.001% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.75, residual support = 101.9:
      O   HN    LEU   40 - HB2   LEU   40   2.29 +/- 0.22  99.927% * 99.9908% (0.76  10.0   4.75 101.91) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   8.47 +/- 1.42   0.073% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 32.7:
          QG2   VAL   70 - HB2   LEU   40   2.67 +/- 0.67  83.127% * 99.9538% (0.80   3.99  32.71) =  99.991%  kept
          QG2   VAL   70 - HB2   LEU   67   4.03 +/- 1.10  16.873% *  0.0462% (0.07   0.02   0.45) =   0.009%
    Distance limit 3.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 32.7:
        T QG2   VAL   70 - HB3   LEU   40   2.80 +/- 0.78  99.972% * 99.8828% (0.98 10.00   3.99  32.71) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.48 +/- 1.02   0.028% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.251, support = 4.76, residual support = 93.2:
      O T HA    LEU   40 - HG    LEU   40   2.93 +/- 0.39  59.681% * 67.7036% (0.18  10.0 10.00   5.20 101.91) =  90.246%  kept
          HA    LYS+  99 - HG    LEU   40   3.49 +/- 0.94  31.972% * 12.7237% (0.98   1.0  1.00   0.67  13.07) =   9.086%  kept
          HA    ASP- 113 - HG    LEU  115   6.09 +/- 1.11   2.516% * 11.5693% (0.53   1.0  1.00   1.12   0.02) =   0.650%  kept
          HA    ILE   56 - HG    LEU  115   5.92 +/- 0.84   1.851% *  0.1941% (0.50   1.0  1.00   0.02   0.02) =   0.008%
          HA    PHE   59 - HG    LEU  115   5.48 +/- 1.34   3.618% *  0.0763% (0.20   1.0  1.00   0.02  28.39) =   0.006%
        T HA    ASN   35 - HG    LEU   40  10.66 +/- 0.53   0.032% *  3.4670% (0.90   1.0 10.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HG    LEU   40  11.87 +/- 2.18   0.123% *  0.2954% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU   73  10.45 +/- 1.27   0.053% *  0.0706% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  12.51 +/- 1.31   0.015% *  0.1711% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  11.73 +/- 0.71   0.024% *  0.0646% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.38 +/- 1.04   0.097% *  0.0126% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  15.11 +/- 0.86   0.005% *  0.1319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  18.83 +/- 1.33   0.001% *  0.3920% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  18.80 +/- 0.83   0.001% *  0.3353% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  26.16 +/- 1.17   0.000% *  2.0073% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.07 +/- 0.97   0.001% *  0.3569% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  18.77 +/- 1.21   0.001% *  0.2194% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  18.96 +/- 2.12   0.002% *  0.0551% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  18.32 +/- 1.29   0.001% *  0.0625% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  16.21 +/- 1.31   0.003% *  0.0246% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  23.66 +/- 1.26   0.000% *  0.0665% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.98, residual support = 32.7:
        T QG2   VAL   70 - HG    LEU   40   2.97 +/- 0.76  98.376% * 99.2404% (0.98 10.00   3.98  32.71) =  99.997%  kept
        T QG2   VAL   70 - HG    LEU   73   6.95 +/- 0.86   1.587% *  0.1850% (0.18 10.00   0.02   0.02) =   0.003%
        T QG2   VAL   70 - HG    LEU  115  12.99 +/- 1.15   0.037% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 32.7:
          QG2   VAL   70 - QD1   LEU   40   1.99 +/- 0.40 100.000% *100.0000% (0.80   3.47  32.71) = 100.000%  kept
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.49, residual support = 32.7:
          QG2   VAL   70 - QD2   LEU   40   2.73 +/- 0.84 100.000% *100.0000% (0.53   4.49  32.71) = 100.000%  kept
    Distance limit 3.13 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2559 (0.66, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - QD2   LEU   40   9.69 +/- 1.18 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.53 A violated in 20 structures by 7.15 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.734, support = 4.58, residual support = 101.9:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  71.834% * 41.4375% (0.65  10.0 10.00   4.04 101.91) =  64.984%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.61 +/- 0.47  27.920% * 57.4464% (0.90  10.0  1.00   5.59 101.91) =  35.015%  kept
          HG    LEU   67 - QD2   LEU   40   6.72 +/- 1.62   0.153% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD2   LEU   40   7.84 +/- 1.27   0.057% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.13 +/- 1.30   0.001% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.33 +/- 1.05   0.024% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  12.53 +/- 1.37   0.002% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.16 +/- 0.75   0.006% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  12.37 +/- 1.10   0.002% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.244, support = 2.24, residual support = 13.1:
        T HB3   LYS+  99 - QD2   LEU   40   3.03 +/- 0.97  65.966% * 44.3392% (0.22 10.00   2.03  13.07) =  61.312%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.55 +/- 0.95  33.329% * 55.3730% (0.28 10.00   2.57  13.07) =  38.686%  kept
          HB    VAL   43 - QD2   LEU   40   7.56 +/- 0.90   0.671% *  0.0747% (0.38  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD2   LEU   40  12.27 +/- 0.85   0.026% *  0.0307% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  15.43 +/- 0.93   0.006% *  0.1208% (0.61  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  19.21 +/- 1.04   0.002% *  0.0615% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.296, support = 0.02, residual support = 0.623:
          HB2   HIS  122 - QD2   LEU   40   6.22 +/- 1.19  80.028% * 19.5836% (0.31   0.02   0.71) =  86.828%  kept
          HA    LEU   63 - QD2   LEU   40   8.49 +/- 1.05  19.305% * 11.1120% (0.18   0.02   0.02) =  11.885%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.52 +/- 1.01   0.391% * 35.9222% (0.57   0.02   0.02) =   0.779%  kept
          HB2   HIS   22 - QD2   LEU   40  17.27 +/- 1.37   0.275% * 33.3822% (0.53   0.02   0.02) =   0.509%  kept
    Distance limit 3.46 A violated in 20 structures by 2.47 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.69, residual support = 13.1:
          QE    LYS+  99 - QD2   LEU   40   3.07 +/- 0.85  99.395% * 98.5038% (0.69   3.69  13.07) =  99.995%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.82 +/- 0.69   0.332% *  0.7780% (1.00   0.02   0.02) =   0.003%
          QE    LYS+  38 - QD2   LEU   40   9.12 +/- 1.29   0.273% *  0.7182% (0.92   0.02   0.02) =   0.002%
    Distance limit 3.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.839, support = 0.755, residual support = 0.716:
        T HB3   PHE   97 - QD2   LEU   40   4.03 +/- 1.08  86.263% * 86.0063% (0.84 10.00   0.75   0.73) =  97.667%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.61 +/- 1.01  13.261% * 13.3596% (0.99  1.00   0.98   0.02) =   2.332%  kept
          QG    GLN   32 - QD2   LEU   40  12.01 +/- 0.42   0.264% *  0.0937% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  14.61 +/- 0.76   0.078% *  0.2597% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.37 +/- 1.49   0.089% *  0.1031% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  16.73 +/- 1.13   0.045% *  0.1776% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 101.9:
      O T HB2   LEU   40 - QD1   LEU   40   2.36 +/- 0.39  97.734% * 99.2435% (0.84  10.0 10.00   4.44 101.91) =  99.989%  kept
        T HB2   LEU   67 - QD1   LEU   40   5.41 +/- 1.47   2.189% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.011%
          HB3   MET   96 - QD1   LEU   40   9.46 +/- 0.73   0.053% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.94 +/- 1.35   0.018% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  13.69 +/- 0.90   0.005% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  20.21 +/- 0.58   0.000% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 101.9:
      O   HB2   LEU   40 - QD2   LEU   40   2.84 +/- 0.42  98.793% * 96.6350% (0.34  10.0  1.00   5.44 101.91) =  99.969%  kept
        T HB2   LEU   67 - QD2   LEU   40   6.84 +/- 1.53   1.147% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.031%
          HB    VAL   18 - QD2   LEU   40  11.23 +/- 1.50   0.044% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  13.53 +/- 1.00   0.012% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  16.97 +/- 1.30   0.003% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.44 +/- 1.04   0.001% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.742, support = 4.42, residual support = 101.9:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  67.331% * 41.4524% (0.65  10.0  1.00   4.30 101.91) =  61.669%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.45 +/- 0.26  30.167% * 57.4671% (0.90  10.0 10.00   4.61 101.91) =  38.305%  kept
        T HG    LEU   67 - QD1   LEU   40   5.33 +/- 1.44   2.452% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.027%
        T HB3   LEU  115 - QD1   LEU   40  12.01 +/- 1.06   0.002% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40   9.22 +/- 0.89   0.011% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   8.75 +/- 1.36   0.023% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40   9.61 +/- 1.34   0.011% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.54 +/- 1.28   0.002% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  12.93 +/- 0.98   0.001% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.973, support = 4.44, residual support = 100.6:
      O T QD1   LEU   40 - HB2   LEU   40   2.36 +/- 0.39  71.217% * 92.1745% (1.00  10.0 10.00   4.44 101.91) =  97.013%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.93 +/- 0.40  26.499% *  7.6201% (0.08  10.0  1.00   4.39  57.59) =   2.984%  kept
        T QD1   LEU   40 - HB2   LEU   67   5.41 +/- 1.47   1.505% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   67 - HB2   LEU   40   6.24 +/- 1.55   0.778% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  17.57 +/- 0.59   0.000% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.45 +/- 1.06   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 101.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.45 +/- 0.26  97.727% * 99.7412% (1.00  10.0 10.00   4.61 101.91) =  99.998%  kept
          QD2   LEU   67 - HB3   LEU   40   6.31 +/- 1.60   2.193% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   40 - HB3   LEU  115  12.01 +/- 1.06   0.009% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.70 +/- 0.69   0.059% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  12.08 +/- 1.79   0.011% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.31 +/- 0.43   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.863, support = 4.02, residual support = 101.4:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  66.713% * 95.2605% (0.87  10.0 10.00   4.04 101.91) =  99.528%  kept
          QD1   ILE  119 - HG    LEU  115   3.20 +/- 1.27  30.871% *  0.9611% (0.10   1.0  1.00   1.73   7.67) =   0.465%
        T QD1   LEU   67 - HG    LEU   40   5.94 +/- 1.71   0.503% *  0.9173% (0.84   1.0 10.00   0.02   0.02) =   0.007%
        T QD2   LEU   40 - HG    LEU   73   7.84 +/- 1.27   0.047% *  0.1776% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   5.91 +/- 1.05   1.758% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.42 +/- 1.50   0.016% *  0.1710% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  11.02 +/- 1.92   0.004% *  0.5311% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.36 +/- 0.61   0.019% *  0.0797% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.13 +/- 1.30   0.001% *  0.5515% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.98 +/- 0.40   0.023% *  0.0178% (0.16   1.0  1.00   0.02   0.18) =   0.000%
          QD2   LEU   71 - HG    LEU   40   8.37 +/- 0.73   0.020% *  0.0192% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  15.96 +/- 1.51   0.000% *  0.6661% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  16.43 +/- 1.64   0.000% *  0.3856% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.97 +/- 0.50   0.011% *  0.0124% (0.11   1.0  1.00   0.02  41.43) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.24 +/- 1.49   0.006% *  0.0192% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.75 +/- 1.07   0.001% *  0.0953% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.28 +/- 0.73   0.001% *  0.0462% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.68 +/- 1.33   0.003% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  16.40 +/- 1.69   0.000% *  0.0552% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.51 +/- 1.66   0.001% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.19 +/- 1.22   0.000% *  0.0111% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.9, residual support = 73.8:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.04  87.644% * 97.4050% (0.87  10.0 10.00   3.90  73.84) =  99.973%  kept
        T QD1   LEU   73 - QG1   VAL   41   3.92 +/- 0.89   4.997% *  0.3466% (0.31   1.0 10.00   0.02   0.02) =   0.020%
          QD2   LEU   98 - QG1   VAL   41   3.69 +/- 0.79   6.603% *  0.0771% (0.69   1.0  1.00   0.02  24.13) =   0.006%
        T QD1   LEU   63 - QG2   VAL   18   6.60 +/- 0.60   0.098% *  0.2649% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   8.80 +/- 0.92   0.019% *  0.7444% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.69 +/- 0.85   0.047% *  0.2649% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   7.04 +/- 1.00   0.143% *  0.0770% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   5.95 +/- 0.88   0.252% *  0.0414% (0.04   1.0 10.00   0.02   4.58) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.11 +/- 0.68   0.013% *  0.3466% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.18 +/- 1.05   0.084% *  0.0523% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.00 +/- 1.02   0.016% *  0.1007% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  10.31 +/- 1.75   0.016% *  0.0589% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.19 +/- 0.87   0.007% *  0.0589% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  10.90 +/- 1.04   0.005% *  0.0771% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   8.94 +/- 1.12   0.020% *  0.0186% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104   9.86 +/- 0.95   0.009% *  0.0186% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.68 +/- 1.29   0.026% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.21 +/- 1.20   0.001% *  0.0414% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.44, residual support = 9.3:
          QB    ALA   34 - QG2   VAL   41   3.12 +/- 0.32  98.847% * 83.5823% (0.18   1.44   9.31) =  99.974%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.56 +/- 0.93   0.790% *  1.3118% (0.20   0.02   0.02) =   0.013%
          QG2   THR   77 - QG2   VAL   41  11.13 +/- 0.73   0.062% *  6.2705% (0.95   0.02   0.02) =   0.005%
          HG2   LYS+  38 - QG2   VAL   41   9.12 +/- 0.71   0.184% *  1.8430% (0.28   0.02   0.02) =   0.004%
          QG2   THR   23 - QG2   VAL   41  10.64 +/- 1.05   0.091% *  2.9719% (0.45   0.02   0.02) =   0.003%
          QB    ALA   88 - QG2   VAL   41  12.83 +/- 0.69   0.026% *  4.0205% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.12 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.62, residual support = 24.1:
        T QB    LEU   98 - QG2   VAL   41   3.09 +/- 0.52  54.047% * 95.8151% (0.34 10.00   2.62  24.13) =  99.910%  kept
          HG    LEU   73 - QG2   VAL   41   3.70 +/- 1.29  42.546% *  0.0867% (0.31  1.00   0.02   0.02) =   0.071%
          HG12  ILE   19 - QG2   VAL   41   8.47 +/- 1.84   3.029% *  0.2803% (1.00  1.00   0.02   0.02) =   0.016%
        T HB2   LEU   80 - QG2   VAL   41  11.41 +/- 0.96   0.024% *  2.2492% (0.80 10.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - QG2   VAL   41   9.32 +/- 0.82   0.093% *  0.1929% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   41   9.47 +/- 1.11   0.079% *  0.1704% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   VAL   41  11.03 +/- 1.36   0.033% *  0.2711% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  11.31 +/- 0.78   0.026% *  0.2346% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.22 +/- 1.14   0.087% *  0.0625% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  13.35 +/- 1.75   0.011% *  0.1817% (0.65  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  12.59 +/- 0.82   0.012% *  0.1367% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  15.06 +/- 0.71   0.004% *  0.2753% (0.98  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  13.74 +/- 1.50   0.009% *  0.0433% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.40 +/- 0.52 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.92 A violated in 20 structures by 8.48 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.37, residual support = 73.8:
      O   HN    VAL   41 - HB    VAL   41   2.92 +/- 0.45 100.000% *100.0000% (0.47  10.0   4.37  73.84) = 100.000%  kept
    Distance limit 3.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.973, support = 2.67, residual support = 24.0:
          HN    LEU   98 - QG1   VAL   41   4.68 +/- 0.66  63.882% * 98.0369% (0.98   2.68  24.13) =  99.201%  kept
          HN    LEU   98 - QD2   LEU  104   5.45 +/- 1.20  35.805% *  1.4046% (0.05   0.72   4.58) =   0.797%  kept
          HN    LEU   98 - QG2   VAL   18  11.33 +/- 0.57   0.312% *  0.5585% (0.75   0.02   0.02) =   0.003%
    Distance limit 3.64 A violated in 8 structures by 0.57 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.582, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  11.91 +/- 1.14  50.421% * 34.1212% (0.66   0.02   0.02) =  65.114%  kept
          HN    LYS+  66 - HB    VAL   41  14.53 +/- 0.75  16.041% * 29.5320% (0.57   0.02   0.02) =  17.929%  kept
          QE    PHE   59 - HB    VAL   41  13.41 +/- 2.27  29.973% * 12.0603% (0.23   0.02   0.02) =  13.681%  kept
          HN    LYS+  81 - HB    VAL   41  18.75 +/- 1.03   3.564% * 24.2865% (0.47   0.02   0.02) =   3.276%  kept
    Distance limit 3.58 A violated in 20 structures by 6.95 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.2, residual support = 24.2:
      O   HN    VAL   42 - HA    VAL   41   2.20 +/- 0.03  99.416% * 99.8070% (0.98  10.0   5.20  24.20) =  99.999%  kept
          HN    LEU   73 - HA    VAL   41   5.47 +/- 0.63   0.550% *  0.0998% (0.98   1.0   0.02   0.02) =   0.001%
          HN    ILE   19 - HA    VAL   41   8.56 +/- 0.66   0.033% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.72 +/- 0.29   0.002% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.06, residual support = 38.9:
      O   HN    VAL   43 - HA    VAL   42   2.20 +/- 0.02 100.000% * 99.9765% (0.90  10.0   5.06  38.91) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  18.59 +/- 0.62   0.000% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2581 (0.28, 0.55, 21.65 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2582 (0.09, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 0.339, support = 0.0199, residual support = 0.0199:
          QD2   LEU   31 - QG2   VAL   41   2.34 +/- 0.81  99.733% * 16.0745% (0.34   0.02   0.02) =  99.330%  kept
          QG2   VAL   83 - QG2   VAL   41   8.07 +/- 0.83   0.179% * 37.7342% (0.80   0.02   0.02) =   0.418%
          QD1   ILE   89 - QG2   VAL   41   9.12 +/- 0.77   0.088% * 46.1912% (0.98   0.02   0.02) =   0.252%
    Distance limit 2.91 A violated in 2 structures by 0.18 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.805, support = 0.0199, residual support = 21.8:
        T HB    VAL   41 - HB    VAL   42   6.23 +/- 0.34  36.866% * 26.8420% (0.84 10.00   0.02  24.20) =  89.551%  kept
          HB2   LEU   71 - HB    VAL   42   6.40 +/- 0.57  34.598% *  1.3538% (0.42  1.00   0.02   2.39) =   4.239%  kept
          QB    LYS+  66 - HB    VAL   42   8.37 +/- 0.86   7.614% *  2.7752% (0.87  1.00   0.02   0.02) =   1.912%  kept
        T QB    LYS+ 102 - HB    VAL   42  11.88 +/- 0.55   0.798% * 17.9927% (0.56 10.00   0.02   0.02) =   1.300%  kept
          HG2   PRO   93 - HB2   LYS+ 112   9.31 +/- 2.23   7.499% *  1.7026% (0.53  1.00   0.02   0.02) =   1.155%  kept
          HG12  ILE  103 - HB    VAL   42  10.10 +/- 1.67   2.987% *  2.4126% (0.75  1.00   0.02   0.02) =   0.652%  kept
          HB3   PRO   52 - HB2   LYS+ 112  10.45 +/- 2.11   5.714% *  1.1905% (0.37  1.00   0.02   0.02) =   0.616%  kept
          QB    LYS+  65 - HB    VAL   42   9.96 +/- 0.37   2.312% *  1.4633% (0.46  1.00   0.02   0.02) =   0.306%
          HG    LEU  123 - HB    VAL   42  13.81 +/- 1.46   0.444% *  1.6870% (0.53  1.00   0.02   0.02) =   0.068%
          QB    LYS+  66 - HB2   LYS+ 112  14.52 +/- 1.64   0.327% *  1.9585% (0.61  1.00   0.02   0.02) =   0.058%
          HG    LEU  123 - HB2   LYS+ 112  14.36 +/- 1.48   0.398% *  1.1905% (0.37  1.00   0.02   0.02) =   0.043%
          HG2   PRO   93 - HB    VAL   42  16.04 +/- 1.08   0.152% *  2.4126% (0.75  1.00   0.02   0.02) =   0.033%
        T HB    VAL   41 - HB2   LYS+ 112  23.89 +/- 0.98   0.012% * 18.9430% (0.59 10.00   0.02   0.02) =   0.021%
          QB    LYS+  65 - HB2   LYS+ 112  15.39 +/- 1.39   0.201% *  1.0327% (0.32  1.00   0.02   0.02) =   0.019%
        T QB    LYS+ 102 - HB2   LYS+ 112  23.01 +/- 0.69   0.015% * 12.6979% (0.40 10.00   0.02   0.02) =   0.018%
          HB3   PRO   52 - HB    VAL   42  20.40 +/- 0.83   0.032% *  1.6870% (0.53  1.00   0.02   0.02) =   0.005%
          HG12  ILE  103 - HB2   LYS+ 112  21.72 +/- 1.10   0.022% *  1.7026% (0.53  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB2   LYS+ 112  25.28 +/- 0.98   0.009% *  0.9554% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.19 A violated in 19 structures by 2.02 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.35, residual support = 87.5:
          HN    VAL   42 - QG2   VAL   42   3.10 +/- 0.25  95.402% * 77.9800% (0.64   5.39  88.48) =  98.875%  kept
          HN    LEU   73 - QG2   VAL   42   5.45 +/- 0.47   3.900% * 21.6675% (0.64   1.50   1.36) =   1.123%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.22 +/- 0.56   0.345% *  0.2893% (0.64   0.02   0.02) =   0.001%
          HN    ILE   19 - QG2   VAL   42   8.05 +/- 0.58   0.353% *  0.0633% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.13, residual support = 38.9:
          HN    VAL   43 - QG2   VAL   42   3.81 +/- 0.20 100.000% *100.0000% (0.72   5.13  38.91) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.962, support = 3.99, residual support = 88.0:
      O T HA    VAL   42 - QG1   VAL   42   2.61 +/- 0.15  88.545% * 91.4910% (0.97  10.0 10.00   4.00  88.48) =  99.386%  kept
          HA    THR   46 - QB    ALA   47   3.84 +/- 0.08   9.152% *  5.4565% (0.44   1.0  1.00   2.63  12.68) =   0.613%  kept
          HA    GLN   90 - QB    ALA   47   5.72 +/- 1.67   2.002% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   17 - QG1   VAL   42   8.21 +/- 0.51   0.102% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47   9.47 +/- 0.58   0.044% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.75 +/- 0.19   0.003% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  13.95 +/- 0.51   0.004% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   8.65 +/- 1.28   0.089% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.67 +/- 0.23   0.037% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  16.84 +/- 0.87   0.001% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  11.51 +/- 1.30   0.014% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  14.18 +/- 0.25   0.004% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  14.29 +/- 0.58   0.003% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  26.31 +/- 0.36   0.000% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.911, support = 1.67, residual support = 4.75:
          QD    PHE   60 - QG1   VAL   42   4.47 +/- 0.95  61.920% * 89.2214% (0.93   1.72   4.91) =  96.710%  kept
          QE    PHE   59 - QG1   VAL   42   5.84 +/- 2.03  27.505% *  6.5123% (0.33   0.35   0.02) =   3.136%  kept
          HN    LYS+  66 - QG1   VAL   42   7.19 +/- 0.51   5.267% *  0.8988% (0.81   0.02   0.02) =   0.083%
          QD    PHE   60 - QB    ALA   47   8.26 +/- 1.04   3.971% *  0.8968% (0.80   0.02   0.02) =   0.062%
          QE    PHE   59 - QB    ALA   47  10.42 +/- 1.94   0.970% *  0.3170% (0.28   0.02   0.02) =   0.005%
          HN    LYS+  81 - QB    ALA   47  11.13 +/- 0.79   0.294% *  0.6383% (0.57   0.02   0.02) =   0.003%
          HN    LYS+  81 - QG1   VAL   42  15.39 +/- 0.57   0.045% *  0.7392% (0.66   0.02   0.02) =   0.001%
          HN    LYS+  66 - QB    ALA   47  17.07 +/- 0.66   0.028% *  0.7762% (0.70   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 13 structures by 1.16 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 4.83, residual support = 75.8:
          HN    VAL   42 - QG1   VAL   42   3.58 +/- 0.16  53.759% * 81.9476% (0.77   5.46  88.48) =  85.497%  kept
          HN    LEU   73 - QG1   VAL   42   3.74 +/- 0.60  44.329% * 16.8526% (0.77   1.12   1.36) =  14.498%  kept
          HN    LYS+ 106 - QG1   VAL   42   8.52 +/- 0.54   0.398% *  0.3001% (0.77   0.02   0.02) =   0.002%
          HN    ILE   19 - QG1   VAL   42   6.53 +/- 0.71   1.463% *  0.0656% (0.17   0.02   0.02) =   0.002%
          HN    LEU   73 - QB    ALA   47  13.60 +/- 0.34   0.020% *  0.2591% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  14.96 +/- 0.44   0.011% *  0.2591% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.86 +/- 0.18   0.008% *  0.2591% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.67 +/- 0.35   0.012% *  0.0567% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.13, residual support = 38.9:
          HN    VAL   43 - QG1   VAL   42   2.81 +/- 0.28  99.971% * 99.3945% (0.40   5.13  38.91) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.20 +/- 0.21   0.011% *  0.3345% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  13.18 +/- 1.06   0.010% *  0.1454% (0.15   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.86 +/- 0.73   0.008% *  0.1256% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.432, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   7.66 +/- 0.90  99.228% * 53.6601% (0.43   0.02   0.02) =  99.333%  kept
          HN    LEU  104 - QB    ALA   47  17.64 +/- 0.52   0.772% * 46.3399% (0.37   0.02   0.02) =   0.667%  kept
    Distance limit 3.66 A violated in 20 structures by 3.99 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.75, residual support = 14.9:
          HN    TRP   49 - QB    ALA   47   2.74 +/- 0.23  99.780% * 95.0861% (0.29   3.75  14.94) =  99.998%  kept
          HE22  GLN   30 - QG1   VAL   42   8.55 +/- 0.61   0.138% *  0.9129% (0.53   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG1   VAL   42   9.93 +/- 1.33   0.077% *  1.0501% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  17.48 +/- 0.62   0.002% *  1.1919% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.90 +/- 0.29   0.003% *  0.3880% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  23.05 +/- 1.33   0.000% *  1.3710% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.389, support = 2.36, residual support = 11.0:
      O   HN    ALA   47 - QB    ALA   47   2.42 +/- 0.11  94.391% * 99.5113% (0.39  10.0   2.36  10.96) =  99.989%  kept
          QD    PHE   95 - QG1   VAL   42   4.30 +/- 0.76   5.548% *  0.1789% (0.70   1.0   0.02   1.45) =   0.011%
          QD    PHE   95 - QB    ALA   47   8.63 +/- 0.79   0.054% *  0.2336% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.74 +/- 0.25   0.008% *  0.0762% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.604, support = 2.49, residual support = 20.4:
          HB    VAL   42 - QG1   VAL   43   5.23 +/- 0.21   5.454% * 63.2573% (0.62  1.00   4.70  38.91) =  47.761%  kept
          HG    LEU   98 - QG1   VAL   43   3.77 +/- 0.96  55.041% *  4.3603% (0.58  1.00   0.34   0.38) =  33.225%  kept
        T HB3   LEU   73 - QG1   VAL   43   4.25 +/- 1.09  37.044% *  2.9950% (0.69 10.00   0.02   7.61) =  15.360%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.97 +/- 0.18   0.973% * 26.7522% (0.34  1.00   3.64  15.26) =   3.604%  kept
          HG3   LYS+ 106 - QG1   VAL   43   8.03 +/- 0.72   0.452% *  0.3707% (0.85  1.00   0.02   0.02) =   0.023%
          QB    ALA   84 - QG1   VAL   43   8.87 +/- 0.56   0.243% *  0.2995% (0.69  1.00   0.02   0.02) =   0.010%
          HG3   LYS+ 102 - QG1   VAL   43  10.60 +/- 1.17   0.091% *  0.3138% (0.72  1.00   0.02   0.02) =   0.004%
          HB3   LEU   80 - QG1   VAL   43   8.63 +/- 1.32   0.353% *  0.0776% (0.18  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - QG1   VAL   43  10.36 +/- 0.51   0.089% *  0.2377% (0.54  1.00   0.02   0.02) =   0.003%
          HB3   PRO   93 - QG1   VAL   43  11.36 +/- 0.82   0.059% *  0.3138% (0.72  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QG1   VAL   43   9.36 +/- 0.66   0.165% *  0.1090% (0.25  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QG1   VAL   43  14.08 +/- 0.79   0.015% *  0.2692% (0.62  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.24 +/- 1.17   0.009% *  0.2062% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.69 +/- 0.72   0.004% *  0.3399% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  15.64 +/- 1.36   0.009% *  0.0977% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.294, support = 1.63, residual support = 9.58:
        T HH2   TRP   27 - QG1   VAL   43   2.47 +/- 0.49  86.391% * 49.2002% (0.31 10.00   1.42   9.58) =  86.010%  kept
        T HZ3   TRP   27 - QG1   VAL   43   3.55 +/- 0.58  13.609% * 50.7998% (0.22 10.00   2.96   9.58) =  13.990%  kept
    Distance limit 2.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.09, residual support = 60.1:
          HN    VAL   43 - QG1   VAL   43   2.40 +/- 0.44 100.000% *100.0000% (0.80   5.09  60.06) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.388, support = 3.7, residual support = 15.3:
          HN    ASP-  44 - QG2   VAL   43   2.77 +/- 0.25  96.372% * 82.0535% (0.39   3.71  15.26) =  99.417%  kept
          HN    ASN   28 - QD2   LEU   31   5.11 +/- 0.53   2.842% * 16.2252% (0.18   1.57  17.05) =   0.580%  kept
          HN    ASN   28 - QG2   VAL   43   7.77 +/- 0.60   0.225% *  0.7217% (0.63   0.02   0.02) =   0.002%
          HN    ASP-  44 - QD2   LEU   31   7.35 +/- 0.49   0.376% *  0.1270% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QG2   VAL   43   9.58 +/- 0.94   0.064% *  0.4113% (0.36   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD2   LEU   31   8.78 +/- 0.58   0.101% *  0.1180% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  14.00 +/- 0.69   0.007% *  0.2667% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  12.49 +/- 0.88   0.014% *  0.0765% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.24, residual support = 60.1:
      O   HN    VAL   43 - HB    VAL   43   2.66 +/- 0.27 100.000% *100.0000% (0.87  10.0   4.24  60.06) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.4:
          HN    MET   96 - HB    VAL   43   3.37 +/- 0.34 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 19.2:
        T QD    PHE   45 - HB3   ASP-  44   4.43 +/- 0.05 100.000% *100.0000% (0.80 10.00   4.41  19.20) = 100.000%  kept
    Distance limit 3.72 A violated in 0 structures by 0.71 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.71, residual support = 37.8:
      O   HN    ASP-  44 - HB3   ASP-  44   3.66 +/- 0.12  99.956% * 99.8560% (0.98  10.0   3.71  37.82) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  15.85 +/- 1.11   0.017% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  14.65 +/- 0.93   0.026% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.0, residual support = 6.01:
          HA    LYS+  74 - HB2   ASP-  44   3.51 +/- 0.63  99.920% * 92.0167% (0.92  1.00   2.00   6.01) =  99.993%  kept
        T HA    MET   92 - HB2   ASP-  44  12.80 +/- 0.72   0.080% *  7.9833% (0.80 10.00   0.02   0.02) =   0.007%
    Distance limit 3.85 A violated in 1 structures by 0.10 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.03, residual support = 37.8:
      O   HN    ASP-  44 - HB2   ASP-  44   2.63 +/- 0.25  99.989% * 99.8560% (0.98  10.0   3.03  37.82) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  14.80 +/- 1.20   0.004% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  13.43 +/- 0.97   0.007% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.5, support = 3.9, residual support = 28.9:
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  19.135% * 81.9551% (0.80  10.0   3.77  37.82) =  51.970%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.29 +/- 0.01  80.855% * 17.9245% (0.18  10.0   4.04  19.20) =  48.030%  kept
          HN    ALA  110 - HA    ASP-  44  10.83 +/- 1.51   0.009% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  15.35 +/- 0.95   0.001% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2604 (5.97, 4.29, 51.33 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.6:
          HA    PHE   95 - HA    ASP-  44   2.74 +/- 0.25 100.000% *100.0000% (0.87   2.00   4.60) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.1:
        T HB    THR   94 - HB2   PHE   45   2.92 +/- 0.75  99.251% * 98.9931% (0.65 10.00   2.96  27.06) =  99.999%  kept
          QB    SER   48 - HB2   PHE   45  10.03 +/- 0.57   0.183% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  11.14 +/- 0.42   0.108% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.23 +/- 0.57   0.167% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  10.29 +/- 0.58   0.232% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.67 +/- 0.40   0.031% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  17.74 +/- 0.76   0.005% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.06 +/- 1.03   0.012% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.04 +/- 0.72   0.003% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.14 +/- 0.61   0.003% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.39 +/- 0.92   0.003% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.57 +/- 0.75   0.003% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 1 structures by 0.13 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 8.4:
          QG2   THR   77 - HB2   PHE   45   4.07 +/- 0.46  90.362% * 94.3279% (0.45   1.84   8.41) =  99.891%  kept
          QG2   ILE   56 - HB2   PHE   45   6.90 +/- 1.46   8.266% *  1.0281% (0.45   0.02   0.02) =   0.100%
          QB    ALA   88 - HB2   PHE   45   8.89 +/- 0.69   1.194% *  0.3538% (0.15   0.02   0.02) =   0.005%
          QG2   THR   23 - HB2   PHE   45  12.65 +/- 0.95   0.128% *  2.1692% (0.95   0.02   0.02) =   0.003%
          QB    ALA   34 - HB2   PHE   45  14.57 +/- 0.45   0.048% *  1.4834% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  24.14 +/- 1.21   0.002% *  0.6376% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 3 structures by 0.51 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 12.4:
        T QG2   ILE   89 - HB2   PHE   45   3.05 +/- 0.59  99.571% * 99.8023% (1.00 10.00   0.75  12.38) =  99.999%  kept
          QG1   VAL   83 - HB2   PHE   45   8.33 +/- 0.87   0.409% *  0.1510% (0.57  1.00   0.02   1.93) =   0.001%
          QD1   LEU  104 - HB2   PHE   45  14.39 +/- 1.11   0.019% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 8.41:
          QG2   THR   77 - HB3   PHE   45   2.80 +/- 0.47  99.492% * 96.7442% (0.87   2.25   8.41) =  99.998%  kept
          QB    ALA   88 - HB3   PHE   45   8.87 +/- 0.68   0.172% *  0.9826% (0.99   0.02   0.02) =   0.002%
          HB3   LEU   80 - HB3   PHE   45   8.01 +/- 1.22   0.326% *  0.1962% (0.20   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HB3   PHE   45  15.56 +/- 1.04   0.005% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  16.16 +/- 0.67   0.004% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.30 +/- 0.66   0.001% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.31 +/- 0.59   0.000% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 12.4:
        T QG2   ILE   89 - HB3   PHE   45   2.60 +/- 0.51 100.000% *100.0000% (0.69 10.00   0.75  12.38) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.23, residual support = 80.5:
      O   QD    PHE   45 - HB2   PHE   45   2.66 +/- 0.04  99.995% * 99.6976% (0.65  10.0   4.23  80.51) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  14.81 +/- 0.78   0.004% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.17 +/- 1.55   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.68 +/- 1.15   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.68, residual support = 80.5:
      O   HN    PHE   45 - HB2   PHE   45   2.49 +/- 0.11  99.564% * 99.8082% (0.73  10.0   3.68  80.51) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.31 +/- 0.17   0.386% *  0.0306% (0.22   1.0   0.02  19.20) =   0.000%
          HN    ALA  110 - HB2   PHE   45   9.28 +/- 1.28   0.048% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  15.21 +/- 0.78   0.002% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.94, residual support = 80.5:
      O   QD    PHE   45 - HB3   PHE   45   2.28 +/- 0.02  99.999% * 99.6976% (0.65  10.0   4.94  80.51) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.29 +/- 0.74   0.001% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.71 +/- 1.65   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.66 +/- 1.21   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.01, residual support = 80.5:
      O   HN    PHE   45 - HB3   PHE   45   3.63 +/- 0.05  97.168% * 99.8082% (0.73  10.0   4.01  80.51) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.64 +/- 0.11   2.624% *  0.0306% (0.22   1.0   0.02  19.20) =   0.001%
          HN    ALA  110 - HB3   PHE   45  10.65 +/- 1.19   0.175% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  13.93 +/- 0.80   0.033% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.24, residual support = 3.97:
          HA    ASP-  76 - QG2   THR   46   3.53 +/- 1.35 100.000% *100.0000% (0.41   1.24   3.97) = 100.000%  kept
    Distance limit 3.26 A violated in 5 structures by 0.66 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.39, residual support = 34.5:
          HN    THR   46 - QG2   THR   46   2.43 +/- 0.35  99.712% * 97.6985% (0.76   3.39  34.52) =  99.998%  kept
          HN    LYS+  74 - QG2   THR   46   7.15 +/- 0.43   0.222% *  0.7550% (1.00   0.02   0.13) =   0.002%
          HN    MET   92 - QG2   THR   46   8.95 +/- 0.71   0.061% *  0.4274% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   46  13.99 +/- 1.07   0.005% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  24.52 +/- 1.91   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.54 +/- 0.38  95.663% * 97.9533% (0.25   3.21  12.68) =  99.905%  kept
          QD    PHE   95 - QG2   THR   46   6.85 +/- 1.11   4.337% *  2.0467% (0.84   0.02   0.02) =   0.095%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.29, support = 0.525, residual support = 0.236:
          QE    LYS+  74 - QG2   THR   46   3.36 +/- 0.59  87.986% * 14.7923% (0.28   0.22   0.13) =  59.926%  kept
          QB    CYS   50 - QG2   THR   46   4.98 +/- 0.38  11.597% * 74.9032% (0.31   0.99   0.40) =  39.996%  kept
          HB2   PHE   72 - QG2   THR   46   9.46 +/- 0.79   0.299% *  4.9058% (1.00   0.02   0.02) =   0.068%
          HA    ALA   64 - QG2   THR   46  11.53 +/- 1.22   0.114% *  2.0213% (0.41   0.02   0.02) =   0.011%
          HB3   ASN   69 - QG2   THR   46  18.88 +/- 1.06   0.004% *  3.3773% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 0 structures by 0.10 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.54:
      O   HN    SER   48 - HA    SER   48   2.78 +/- 0.02  99.996% * 99.9333% (0.49  10.0   2.61   9.54) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.13 +/- 1.02   0.004% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  25.44 +/- 0.37   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.56, residual support = 9.54:
      O   HN    SER   48 - QB    SER   48   2.32 +/- 0.21  99.995% * 99.9496% (0.95  10.0   2.56   9.54) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.65 +/- 1.00   0.005% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  21.14 +/- 1.32   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2621 (6.63, 3.69, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.935, support = 3.99, residual support = 73.8:
      O   HN    TRP   49 - HB2   TRP   49   3.56 +/- 0.11  66.953% * 97.0472% (0.95  10.0   4.00  74.81) =  98.577%  kept
          HN    CYS   50 - HB2   TRP   49   4.04 +/- 0.40  33.046% *  2.8378% (0.15   1.0   3.59   3.13) =   1.423%  kept
          HE22  GLN   30 - HB2   TRP   49  26.08 +/- 0.83   0.000% *  0.0947% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  32.78 +/- 1.79   0.000% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.83, residual support = 74.8:
      O   HD1   TRP   49 - HB2   TRP   49   3.82 +/- 0.21  99.992% * 99.6923% (0.80  10.0   3.83  74.81) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  24.50 +/- 2.08   0.002% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  20.01 +/- 1.12   0.005% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  26.02 +/- 0.89   0.001% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  33.60 +/- 1.16   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.46 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.0, residual support = 74.8:
      O   HN    TRP   49 - HB3   TRP   49   2.75 +/- 0.35  91.061% * 99.8654% (0.79  10.0   4.00  74.81) =  99.998%  kept
          HN    CYS   50 - HB3   TRP   49   4.14 +/- 0.14   8.939% *  0.0163% (0.13   1.0   0.02   3.13) =   0.002%
          HE22  GLN   30 - HB3   TRP   49  25.61 +/- 0.72   0.000% *  0.0975% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  32.93 +/- 1.59   0.000% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2624 (7.36, 3.15, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 3.83, residual support = 74.8:
      O   HD1   TRP   49 - HB3   TRP   49   3.17 +/- 0.30  99.996% * 99.6923% (0.67  10.0   3.83  74.81) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  23.84 +/- 1.83   0.001% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  19.19 +/- 0.92   0.002% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.39 +/- 0.74   0.000% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  32.95 +/- 1.25   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 3.46:
          HB2   PRO   52 - HB3   TRP   49   9.48 +/- 0.70  98.509% * 45.9163% (0.72   0.02   3.49) =  99.124%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.68 +/- 1.01   0.736% * 45.9163% (0.72   0.02   0.02) =   0.741%  kept
          HG2   MET   96 - HB3   TRP   49  21.73 +/- 0.95   0.755% *  8.1674% (0.13   0.02   0.02) =   0.135%
    Distance limit 3.76 A violated in 20 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.485, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.54 +/- 0.37  57.249% * 16.1708% (0.47   0.02   0.02) =  57.507%  kept
          QG    GLU-  79 - HB3   TRP   49  14.58 +/- 1.37  25.484% * 13.9029% (0.41   0.02   0.02) =  22.009%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.91 +/- 1.82  11.666% * 16.1708% (0.47   0.02   0.02) =  11.719%  kept
          HB    VAL  107 - HB3   TRP   49  19.07 +/- 1.08   4.855% * 27.0190% (0.79   0.02   0.02) =   8.148%  kept
          QG    GLN   32 - HB3   TRP   49  29.14 +/- 1.11   0.371% * 22.8711% (0.67   0.02   0.02) =   0.527%  kept
          HG2   GLU-  29 - HB3   TRP   49  29.17 +/- 1.33   0.376% *  3.8655% (0.11   0.02   0.02) =   0.090%
    Distance limit 3.81 A violated in 20 structures by 7.57 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.54, residual support = 7.12:
          QB    ALA   47 - QB    CYS   50   3.71 +/- 0.09  99.797% * 98.7975% (0.65   3.55   7.12) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  12.27 +/- 0.90   0.086% *  0.5574% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   42 - QB    CYS   50  12.59 +/- 0.49   0.068% *  0.4533% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  13.70 +/- 1.38   0.049% *  0.1918% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.5, residual support = 8.15:
        T HB2   CYS   53 - QB    CYS   50   3.40 +/- 0.47  94.678% * 89.6185% (1.00 10.00   1.50   8.20) =  99.435%  kept
          HD3   PRO   52 - QB    CYS   50   5.98 +/- 0.35   4.766% * 10.1065% (0.73  1.00   2.32   0.02) =   0.564%  kept
          HD2   PRO   58 - QB    CYS   50   8.40 +/- 0.83   0.539% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  16.72 +/- 0.75   0.009% *  0.0492% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  21.69 +/- 1.04   0.002% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  18.03 +/- 0.92   0.006% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.96 +/- 0.72   0.001% *  0.0449% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.23, residual support = 7.31:
      O   HN    CYS   50 - QB    CYS   50   2.93 +/- 0.19  93.108% * 85.8169% (0.80  10.0   1.21   7.36) =  98.801%  kept
          HN    TRP   49 - QB    CYS   50   4.57 +/- 0.18   6.887% * 14.0788% (0.65   1.0   2.46   3.13) =   1.199%  kept
          HN    VAL   83 - QB    CYS   50  15.81 +/- 0.82   0.004% *  0.0603% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  19.13 +/- 0.85   0.001% *  0.0441% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.2:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.991% * 97.0144% (0.87  10.0 10.00   2.81  10.17) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.57 +/- 0.50   0.008% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.60 +/- 0.96   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  13.72 +/- 0.76   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  19.32 +/- 1.35   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.77 +/- 0.90   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.63 +/- 1.04   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  23.41 +/- 0.83   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.62 +/- 1.13   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  27.32 +/- 1.13   0.000% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.978, support = 1.48, residual support = 12.0:
          HD3   PRO   93 - HB2   PRO   52   3.25 +/- 1.72  79.188% * 13.4458% (0.98   0.75   1.01) =  71.049%  kept
          HB3   CYS   53 - HB2   PRO   52   5.61 +/- 0.64   4.112% * 77.8844% (0.99   4.30  52.92) =  21.370%  kept
          QB    PHE   55 - HB2   PRO   52   4.61 +/- 0.23  15.921% *  7.1203% (0.92   0.42   0.02) =   7.564%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.98 +/- 0.71   0.660% *  0.3530% (0.97   0.02   1.77) =   0.016%
          HB2   PHE   59 - HB2   PRO   52  11.08 +/- 1.24   0.064% *  0.2513% (0.69   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   MET   96  14.70 +/- 0.96   0.021% *  0.1053% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.90 +/- 1.57   0.016% *  0.0738% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.20 +/- 0.90   0.007% *  0.1065% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.87 +/- 0.82   0.007% *  0.0992% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  18.48 +/- 1.31   0.004% *  0.1037% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  24.84 +/- 1.53   0.000% *  0.3530% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.05 +/- 1.12   0.001% *  0.1037% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.409, support = 0.854, residual support = 2.5:
        T HD3   PRO   93 - HB3   PRO   52   4.04 +/- 0.90  69.535% * 67.5978% (0.41 10.00   0.75   1.01) =  95.194%  kept
          HB3   CYS   53 - HB3   PRO   52   6.37 +/- 0.88   5.715% * 25.1037% (0.25  1.00   4.59  52.92) =   2.905%  kept
          QB    PHE   55 - HB3   PRO   52   4.81 +/- 0.32  23.971% *  3.8918% (0.53  1.00   0.34   0.02) =   1.889%  kept
        T HD2   ARG+  54 - HB3   PRO   52   9.05 +/- 0.75   0.599% *  0.8677% (0.20 10.00   0.02   1.77) =   0.011%
          HB2   PHE   59 - HB3   PRO   52  11.93 +/- 0.98   0.106% *  0.3511% (0.80  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB3   PRO   52  25.81 +/- 0.80   0.001% *  1.9658% (0.45 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  15.34 +/- 1.29   0.027% *  0.0207% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  20.82 +/- 1.26   0.004% *  0.0995% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  14.98 +/- 1.01   0.029% *  0.0125% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  18.34 +/- 0.88   0.008% *  0.0265% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  21.09 +/- 1.54   0.004% *  0.0403% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  27.18 +/- 1.08   0.001% *  0.0225% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.316, support = 0.093, residual support = 0.0197:
          QB    ALA  110 - HB2   PRO   52   3.67 +/- 1.71  90.592% *  1.5912% (0.28   0.02   0.02) =  74.040%  kept
          HG2   LYS+ 102 - HG2   MET   96  11.23 +/- 1.57   0.622% * 44.7126% (0.29   0.53   0.02) =  14.287%  kept
          HB3   LEU  115 - HB2   PRO   52  10.48 +/- 1.80   2.911% *  4.7801% (0.84   0.02   0.02) =   7.148%  kept
          HG    LEU  115 - HB2   PRO   52  11.55 +/- 1.94   3.562% *  1.5912% (0.28   0.02   0.02) =   2.911%  kept
          HG    LEU   40 - HG2   MET   96  10.51 +/- 1.02   0.682% *  1.4042% (0.25   0.02   0.02) =   0.492%
          HG    LEU   73 - HG2   MET   96  10.46 +/- 1.38   0.462% *  1.6224% (0.28   0.02   0.02) =   0.385%
          QB    ALA   61 - HB2   PRO   52  12.86 +/- 0.78   0.130% *  2.7856% (0.49   0.02   0.02) =   0.186%
          HB3   LEU  115 - HG2   MET   96  13.24 +/- 1.15   0.178% *  1.4042% (0.25   0.02   0.02) =   0.128%
          HG    LEU   67 - HG2   MET   96  14.93 +/- 1.26   0.107% *  1.2207% (0.21   0.02   0.02) =   0.067%
          QG    LYS+  66 - HB2   PRO   52  18.37 +/- 1.42   0.017% *  4.7801% (0.84   0.02   0.02) =   0.041%
          QB    ALA  110 - HG2   MET   96  13.31 +/- 0.83   0.158% *  0.4674% (0.08   0.02   0.02) =   0.038%
          HB3   LEU   67 - HG2   MET   96  15.19 +/- 0.87   0.062% *  1.0875% (0.19   0.02   0.02) =   0.035%
          QB    ALA  120 - HB2   PRO   52  16.59 +/- 1.26   0.042% *  1.5912% (0.28   0.02   0.02) =   0.034%
          QG    LYS+  66 - HG2   MET   96  16.40 +/- 0.90   0.047% *  1.4042% (0.25   0.02   0.02) =   0.034%
          HG    LEU   80 - HG2   MET   96  13.52 +/- 2.09   0.117% *  0.5189% (0.09   0.02   0.02) =   0.031%
          QB    ALA   61 - HG2   MET   96  14.66 +/- 0.53   0.069% *  0.8183% (0.14   0.02   0.02) =   0.029%
          HG    LEU   73 - HB2   PRO   52  21.26 +/- 1.08   0.006% *  5.5229% (0.97   0.02   0.02) =   0.018%
          QB    ALA  120 - HG2   MET   96  14.87 +/- 0.68   0.068% *  0.4674% (0.08   0.02   0.02) =   0.016%
          HG    LEU  115 - HG2   MET   96  15.23 +/- 1.17   0.061% *  0.4674% (0.08   0.02   0.02) =   0.015%
          HG    LEU   80 - HB2   PRO   52  19.31 +/- 2.03   0.015% *  1.7663% (0.31   0.02   0.02) =   0.014%
          HG12  ILE   19 - HG2   MET   96  16.57 +/- 1.90   0.071% *  0.3743% (0.07   0.02   0.02) =   0.014%
          HG    LEU   67 - HB2   PRO   52  22.00 +/- 1.18   0.006% *  4.1556% (0.73   0.02   0.02) =   0.013%
          HG    LEU   40 - HB2   PRO   52  23.45 +/- 1.28   0.004% *  4.7801% (0.84   0.02   0.02) =   0.009%
          HB3   LEU   67 - HB2   PRO   52  22.64 +/- 1.65   0.004% *  3.7021% (0.65   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HB2   PRO   52  27.90 +/- 1.82   0.002% *  5.7101% (1.00   0.02   0.02) =   0.004%
          HG12  ILE   19 - HB2   PRO   52  23.58 +/- 1.49   0.005% *  1.2741% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.06 A violated in 6 structures by 0.64 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.639, support = 0.0199, residual support = 0.753:
          HB3   PRO   93 - HD2   PRO   52   7.52 +/- 0.65  81.282% *  5.3763% (0.65  1.00   0.02   1.01) =  73.930%  kept
        T QB    ALA   88 - HD2   PRO   52  13.43 +/- 1.49   3.125% * 14.5547% (0.18 10.00   0.02   0.02) =   7.694%  kept
          QB    ALA   84 - HD2   PRO   52  11.50 +/- 0.71   6.848% *  5.7087% (0.69  1.00   0.02   0.02) =   6.614%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.48 +/- 0.65   4.243% *  8.1462% (0.98  1.00   0.02   0.02) =   5.847%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.64 +/- 1.18   2.445% *  6.9417% (0.84  1.00   0.02   0.02) =   2.872%  kept
          HB2   LEU   63 - HD2   PRO   52  16.66 +/- 0.86   0.726% *  8.3107% (1.00  1.00   0.02   0.02) =   1.021%  kept
          HB3   LEU   80 - HD2   PRO   52  16.98 +/- 1.19   0.708% *  8.1462% (0.98  1.00   0.02   0.02) =   0.976%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.13 +/- 1.07   0.330% * 12.8231% (0.15 10.00   0.02   0.02) =   0.717%  kept
          HG    LEU   98 - HD2   PRO   52  21.83 +/- 1.04   0.142% *  6.6547% (0.80  1.00   0.02   0.02) =   0.160%
          QB    ALA  124 - HD2   PRO   52  25.08 +/- 0.80   0.062% *  7.4533% (0.90  1.00   0.02   0.02) =   0.079%
          HB2   LEU   31 - HD2   PRO   52  26.30 +/- 0.79   0.048% *  7.4533% (0.90  1.00   0.02   0.02) =   0.061%
          HG2   LYS+  99 - HD2   PRO   52  28.38 +/- 0.78   0.030% *  4.7052% (0.57  1.00   0.02   0.02) =   0.024%
          HG2   LYS+  38 - HD2   PRO   52  33.52 +/- 0.76   0.011% *  3.7260% (0.45  1.00   0.02   0.02) =   0.007%
    Distance limit 3.51 A violated in 20 structures by 3.74 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.36, residual support = 222.4:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.994% * 97.1447% (0.80  10.0 10.00   7.36 222.37) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   9.12 +/- 0.44   0.005% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  21.69 +/- 1.02   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  16.69 +/- 1.51   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  21.02 +/- 0.66   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  17.21 +/- 1.04   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.50 +/- 1.62   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  27.52 +/- 0.62   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  23.37 +/- 0.75   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.96 +/- 0.88   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  30.15 +/- 0.84   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  27.22 +/- 0.96   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  33.13 +/- 0.94   0.000% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.36, residual support = 222.4:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.449% * 98.5557% (0.87  10.0 10.00   7.36 222.37) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.45 +/- 0.56   0.550% *  0.0426% (0.38   1.0  1.00   0.02  52.92) =   0.000%
          HA    ILE   89 - HD2   PRO   52  11.75 +/- 1.44   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.57 +/- 0.75   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.98 +/- 1.23   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.67 +/- 1.05   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  28.42 +/- 1.54   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  28.68 +/- 0.82   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  31.20 +/- 0.81   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.6:
      O   HA1   GLY   51 - HD3   PRO   52   2.20 +/- 0.10  99.984% * 97.0168% (0.76  10.0  1.00   3.95  13.58) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  11.73 +/- 0.94   0.006% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  10.76 +/- 0.57   0.008% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.85 +/- 0.59   0.001% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  24.62 +/- 0.91   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  17.88 +/- 1.35   0.000% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  17.61 +/- 1.24   0.000% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  31.10 +/- 0.57   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.20 +/- 1.14   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  38.85 +/- 1.88   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  35.88 +/- 1.47   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.14, residual support = 13.6:
      O   HA1   GLY   51 - HD2   PRO   52   3.00 +/- 0.14  99.912% * 92.3448% (0.34  10.0  1.00   5.14  13.58) = 100.000%  kept
          HB    THR   77 - HD2   PRO   52  10.60 +/- 0.82   0.063% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  16.79 +/- 1.06   0.004% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.25 +/- 0.55   0.015% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.32 +/- 0.92   0.000% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  16.67 +/- 1.27   0.004% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.18 +/- 0.97   0.001% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.50 +/- 0.55   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  28.59 +/- 1.01   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.65 +/- 0.83   0.000% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  37.19 +/- 1.87   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  34.23 +/- 1.46   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 222.4:
      O   HG2   PRO   52 - HD3   PRO   52   2.33 +/- 0.13  99.566% * 99.6603% (0.90  10.0   6.60 222.37) = 100.000%  kept
          HG2   MET   92 - HD3   PRO   52   6.25 +/- 1.03   0.424% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD3   PRO   52  13.85 +/- 1.58   0.008% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.35 +/- 0.69   0.001% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  17.41 +/- 1.37   0.001% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.03 +/- 1.26   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  37.02 +/- 1.10   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 222.4:
      O   HG3   PRO   52 - HD3   PRO   52   2.88 +/- 0.13  99.744% * 99.3977% (0.97  10.0  1.00   6.60 222.37) =  99.999%  kept
        T HB2   PRO   93 - HD3   PRO   52   8.44 +/- 1.37   0.245% *  0.2038% (0.20   1.0 10.00   0.02   1.01) =   0.001%
          HG2   PRO   58 - HD3   PRO   52  13.56 +/- 0.74   0.010% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  21.95 +/- 0.93   0.001% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  31.02 +/- 1.68   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  29.91 +/- 0.83   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.56 +/- 0.87   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  39.50 +/- 2.06   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.73, residual support = 222.4:
      O   HB3   PRO   52 - HD3   PRO   52   3.65 +/- 0.24  97.538% * 98.5682% (0.57  10.0   6.73 222.37) =  99.996%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.26 +/- 0.46   1.835% *  0.1647% (0.95   1.0   0.02   1.77) =   0.003%
          HB    ILE   56 - HD3   PRO   52   9.30 +/- 1.23   0.460% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   PRO   52  11.85 +/- 1.74   0.129% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  16.08 +/- 1.38   0.015% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  15.91 +/- 0.85   0.015% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.98 +/- 0.93   0.002% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.88 +/- 1.28   0.001% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.65 +/- 1.39   0.001% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.77 +/- 1.56   0.001% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  28.00 +/- 0.96   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  29.39 +/- 1.13   0.000% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  25.17 +/- 0.81   0.001% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  34.42 +/- 0.56   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 52.9:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.02  99.988% * 99.3023% (0.61   6.10  52.92) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  17.28 +/- 1.13   0.010% *  0.2014% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.93 +/- 1.00   0.001% *  0.3471% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.93 +/- 0.86   0.000% *  0.1492% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.55, residual support = 13.6:
          HN    GLY   51 - HD3   PRO   52   3.15 +/- 0.55  99.992% * 99.4736% (0.92   3.55  13.58) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  15.98 +/- 0.95   0.008% *  0.5264% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 1.77, residual support = 1.74:
          HN    ARG+  54 - HD2   PRO   52   4.19 +/- 0.11  89.887% * 83.3961% (0.61   1.80   1.77) =  98.281%  kept
          HN    PHE   55 - HD2   PRO   52   6.04 +/- 0.12  10.050% * 13.0384% (0.73   0.24   0.02) =   1.718%  kept
          HN    ASP-  62 - HD2   PRO   52  15.58 +/- 0.58   0.035% *  1.4093% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  16.66 +/- 1.22   0.025% *  0.3807% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.48 +/- 0.83   0.002% *  1.4734% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.96 +/- 0.63   0.000% *  0.3021% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.55 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 52.9:
          HN    CYS   53 - HD2   PRO   52   2.26 +/- 0.02  99.999% * 99.4796% (0.61   8.20  52.92) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.89 +/- 1.05   0.001% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.35 +/- 0.97   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.27 +/- 0.83   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
          QB    CYS   50 - HB3   CYS   53   3.96 +/- 0.38  98.449% * 96.8478% (0.92   1.50   8.20) =  99.980%  kept
          QE    LYS+  74 - HB3   CYS   53   8.61 +/- 0.95   1.264% *  1.3233% (0.95   0.02   0.02) =   0.018%
          HB3   ASP-  78 - HB3   CYS   53  12.04 +/- 1.91   0.245% *  0.7920% (0.57   0.02   0.02) =   0.002%
          HB2   PHE   72 - HB3   CYS   53  15.31 +/- 1.39   0.041% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.65 +/- 1.33   0.002% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
        T QB    CYS   50 - HB2   CYS   53   3.40 +/- 0.47  99.088% * 99.6254% (0.92 10.00   1.50   8.20) =  99.999%  kept
          QE    LYS+  74 - HB2   CYS   53   8.43 +/- 0.97   0.790% *  0.1291% (0.90  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   CYS   53  12.02 +/- 1.78   0.106% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  15.19 +/- 1.19   0.016% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  25.53 +/- 1.09   0.001% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   3.17 +/- 1.07  98.667% * 41.1882% (0.95 10.00   0.02   0.02) =  99.880%  kept
          QB    ALA   91 - HA    CYS   53   8.82 +/- 0.71   1.046% *  3.9049% (0.90  1.00   0.02   0.02) =   0.100%
          HG2   LYS+  74 - HA    CYS   53  11.88 +/- 0.55   0.230% *  1.4852% (0.34  1.00   0.02   0.02) =   0.008%
        T HG13  ILE   19 - HA    CYS   53  19.51 +/- 1.17   0.012% * 24.6510% (0.57 10.00   0.02   0.02) =   0.007%
        T HG    LEU   71 - HA    CYS   53  22.18 +/- 1.16   0.004% * 13.4389% (0.31 10.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    CYS   53  17.65 +/- 1.27   0.021% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          QB    ALA   34 - HA    CYS   53  19.80 +/- 0.45   0.010% *  3.4865% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYS   53  20.26 +/- 0.57   0.007% *  3.9049% (0.90  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  99 - HA    CYS   53  24.49 +/- 0.86   0.002% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  30.04 +/- 1.04   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 2 structures by 0.36 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 43.6:
      O   HN    CYS   53 - HA    CYS   53   2.76 +/- 0.04  99.997% * 99.7861% (0.61  10.0   4.78  43.58) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  16.04 +/- 0.85   0.003% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.11 +/- 0.92   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  25.18 +/- 0.66   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 43.6:
      O   HN    CYS   53 - HB2   CYS   53   2.78 +/- 0.43  99.991% * 99.7861% (0.61  10.0   4.92  43.58) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  14.38 +/- 0.92   0.008% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  20.68 +/- 1.06   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.95 +/- 0.81   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.5, residual support = 32.5:
          HN    ARG+  54 - HB2   CYS   53   3.26 +/- 0.13  93.678% * 98.9864% (0.97   5.50  32.50) =  99.992%  kept
          HN    PHE   55 - HB2   CYS   53   5.12 +/- 0.16   6.272% *  0.1151% (0.31   0.02   0.02) =   0.008%
          HN    ASP-  62 - HB2   CYS   53  11.59 +/- 0.69   0.050% *  0.3528% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  22.50 +/- 0.80   0.001% *  0.3345% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  28.61 +/- 0.62   0.000% *  0.2112% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 32.5:
          HN    ARG+  54 - HB3   CYS   53   3.68 +/- 0.19  99.882% * 99.1731% (0.87   5.36  32.50) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  11.86 +/- 1.05   0.115% *  0.2243% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  22.40 +/- 0.78   0.002% *  0.1911% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  28.52 +/- 0.70   0.000% *  0.4114% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.65, residual support = 165.5:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.94 +/- 0.10  90.586% * 99.8484% (0.87  10.0 10.00   4.65 165.53) =  99.998%  kept
          QB    ALA   57 - HD2   ARG+  54   5.18 +/- 1.30   9.411% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HD2   ARG+  54  17.75 +/- 1.38   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  24.22 +/- 1.58   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  28.23 +/- 1.97   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.57, residual support = 165.5:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.932% * 99.6886% (0.87  10.0 10.00   3.57 165.53) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.79 +/- 0.90   0.051% *  0.0559% (0.49   1.0  1.00   0.02   3.17) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   7.83 +/- 0.56   0.014% *  0.0920% (0.80   1.0  1.00   0.02  32.50) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.41 +/- 1.03   0.002% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.51 +/- 1.36   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  24.50 +/- 2.09   0.000% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.57, residual support = 165.5:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.57 165.53) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  25.18 +/- 2.42   0.000% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 165.5:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.74 +/- 0.21  92.786% * 99.8484% (0.87  10.0 10.00   3.74 165.53) =  99.998%  kept
          QB    ALA   57 - HD3   ARG+  54   5.32 +/- 1.33   7.212% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HD3   ARG+  54  18.36 +/- 1.74   0.001% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  24.72 +/- 1.56   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  27.97 +/- 1.88   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 165.5:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.45 +/- 0.29  99.916% * 97.6350% (0.49  10.0 10.00   3.89 165.53) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.81 +/- 0.60   0.036% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  10.09 +/- 1.77   0.038% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  14.37 +/- 1.40   0.007% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  18.78 +/- 1.51   0.001% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.16 +/- 0.75   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  20.44 +/- 1.37   0.000% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  26.40 +/- 2.10   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.79 +/- 0.76   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  26.26 +/- 1.59   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  27.85 +/- 1.56   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.19 +/- 1.32   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  34.72 +/- 1.39   0.000% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 165.5:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.35 +/- 0.33  99.888% * 99.0727% (0.73  10.0   4.03 165.53) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.63 +/- 1.73   0.089% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  18.47 +/- 1.34   0.004% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  18.92 +/- 1.45   0.004% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.89 +/- 1.47   0.007% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  19.74 +/- 2.63   0.004% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  26.33 +/- 2.25   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  26.32 +/- 1.58   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  25.81 +/- 2.13   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  23.95 +/- 2.03   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.92 +/- 1.65   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.95 +/- 1.98   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 165.5:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.959% * 97.1361% (0.92  10.0 10.00   4.97 165.53) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   8.60 +/- 0.85   0.009% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.71 +/- 1.32   0.030% *  0.0208% (0.20   1.0  1.00   0.02   1.77) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  12.67 +/- 1.35   0.001% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  17.22 +/- 1.76   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  17.88 +/- 0.78   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  26.32 +/- 1.62   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  27.34 +/- 1.29   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.37 +/- 1.20   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  22.30 +/- 1.79   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.63 +/- 1.21   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.87 +/- 1.31   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.54 +/- 1.15   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  33.98 +/- 1.05   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 165.5:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.73 +/- 0.21  99.987% * 97.7423% (0.31  10.0   5.12 165.53) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.64 +/- 1.65   0.004% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.84 +/- 1.69   0.002% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.58 +/- 1.58   0.004% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  19.84 +/- 2.27   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.32 +/- 1.51   0.002% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  23.92 +/- 1.56   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  25.81 +/- 1.73   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  25.76 +/- 1.90   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.65 +/- 1.19   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  21.65 +/- 1.57   0.000% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.24 +/- 1.68   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  33.02 +/- 1.08   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 165.5:
      O   HA    ARG+  54 - HG3   ARG+  54   3.30 +/- 0.54  99.968% * 99.5710% (1.00  10.0   5.75 165.53) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.64 +/- 1.73   0.020% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  19.90 +/- 0.97   0.003% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.57 +/- 1.80   0.008% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  28.55 +/- 1.55   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  27.43 +/- 0.84   0.000% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.93 +/- 1.09   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.47 +/- 1.71   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  36.26 +/- 1.06   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 165.5:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.74 +/- 0.21 100.000% * 99.9462% (0.76  10.0 10.00   3.74 165.53) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  24.22 +/- 2.19   0.000% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 4.64, residual support = 164.2:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.94 +/- 0.10  91.379% * 90.4871% (0.87  10.0 10.00   4.65 165.53) =  99.164%  kept
          QB    PHE   55 - HG3   ARG+  54   5.69 +/- 1.24   7.505% *  9.2810% (0.49   1.0  1.00   3.66   3.17) =   0.835%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.43 +/- 0.54   0.998% *  0.0835% (0.80   1.0  1.00   0.02  32.50) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54   9.71 +/- 1.32   0.093% *  0.0633% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.82 +/- 1.12   0.025% *  0.0260% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  24.34 +/- 1.55   0.000% *  0.0591% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.43, residual support = 165.5:
          HN    ARG+  54 - HG3   ARG+  54   3.43 +/- 0.54  99.935% * 99.3092% (0.87   6.43 165.53) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.50 +/- 1.33   0.064% *  0.1874% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  27.48 +/- 0.88   0.001% *  0.1597% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  33.15 +/- 1.03   0.000% *  0.3437% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 165.5:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.319% * 98.1061% (0.87  10.0 10.00   4.97 165.53) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   4.42 +/- 0.86   0.678% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  11.56 +/- 2.19   0.003% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.66 +/- 1.78   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  17.16 +/- 1.50   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.76 +/- 1.56   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  26.82 +/- 1.63   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  26.32 +/- 1.62   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  17.07 +/- 0.92   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  26.87 +/- 2.13   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.134, support = 2.67, residual support = 35.5:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  91.928% * 33.8555% (0.12  10.0  1.00   2.31  35.47) =  85.979%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.73 +/- 0.28   8.046% * 63.0750% (0.22  10.0  1.00   4.90  35.47) =  14.021%  kept
          QB    GLU-  15 - HG3   PRO   68   8.07 +/- 1.47   0.022% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  11.83 +/- 1.94   0.002% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.64 +/- 1.38   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.46 +/- 1.33   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  18.97 +/- 1.95   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.60 +/- 1.07   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  14.01 +/- 1.72   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  17.30 +/- 1.55   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  24.86 +/- 1.25   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  20.79 +/- 1.45   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  23.13 +/- 1.38   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  24.98 +/- 1.60   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  19.76 +/- 1.74   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  17.27 +/- 1.64   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  26.57 +/- 1.92   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.78 +/- 0.96   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.96 +/- 1.98   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  25.19 +/- 1.55   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.75 +/- 0.93   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  24.03 +/- 2.10   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.41 +/- 0.79   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.32 +/- 1.14   0.000% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.703, support = 4.64, residual support = 135.1:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.78 +/- 0.15  35.947% * 78.2826% (0.87  10.0 10.00   4.62 165.53) =  76.768%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.54 +/- 0.30  61.071% * 13.6340% (0.15  10.0  1.00   4.73  35.47) =  22.715%  kept
          QB    PHE   55 - HG2   ARG+  54   5.79 +/- 1.15   2.481% *  7.6223% (0.49   1.0  1.00   3.47   3.17) =   0.516%  kept
          HB3   CYS   53 - HG2   ARG+  54   5.96 +/- 0.67   0.464% *  0.0723% (0.80   1.0  1.00   0.02  32.50) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.71 +/- 0.99   0.025% *  0.0547% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.27 +/- 1.27   0.010% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.26 +/- 1.89   0.000% *  0.2089% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  23.55 +/- 1.36   0.000% *  0.0511% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.64 +/- 1.09   0.001% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.73 +/- 0.93   0.000% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  24.07 +/- 1.38   0.000% *  0.0193% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.90 +/- 1.38   0.000% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 165.5:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.45 +/- 0.29 100.000% * 99.7339% (0.31  10.0 10.00   3.89 165.53) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  26.40 +/- 2.10   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 165.5:
      O T HA    ARG+  54 - HG2   ARG+  54   2.59 +/- 0.54  99.773% * 97.8074% (1.00  10.0 10.00   5.69 165.53) = 100.000%  kept
        T HA    LEU  115 - HG2   ARG+  54  15.28 +/- 1.51   0.010% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  10.50 +/- 3.00   0.200% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.55 +/- 1.33   0.001% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  18.06 +/- 1.84   0.002% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  23.61 +/- 1.29   0.000% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  18.40 +/- 1.60   0.004% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.09 +/- 0.72   0.005% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  27.92 +/- 1.38   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  30.00 +/- 1.20   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.91 +/- 0.88   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.75 +/- 1.05   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.62 +/- 1.55   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.65 +/- 0.79   0.000% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  21.13 +/- 1.90   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  29.15 +/- 0.97   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  29.84 +/- 1.65   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  35.48 +/- 0.99   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.32, residual support = 165.5:
          HN    ARG+  54 - HG2   ARG+  54   3.30 +/- 0.42  99.909% * 99.0280% (0.87   6.32 165.53) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.74 +/- 0.92   0.040% *  0.1902% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  13.07 +/- 1.02   0.038% *  0.0508% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.40 +/- 0.90   0.009% *  0.0931% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.94 +/- 0.64   0.003% *  0.0433% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  26.74 +/- 1.03   0.000% *  0.1621% (0.45   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  25.25 +/- 1.17   0.001% *  0.0837% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  32.38 +/- 0.91   0.000% *  0.3489% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   4.91 +/- 0.69  99.515% * 19.4000% (0.97   0.02   0.02) =  99.650%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  15.86 +/- 1.41   0.155% * 19.7041% (0.98   0.02   0.02) =   0.158%
          HD2   LYS+  74 - HB3   ARG+  54  14.47 +/- 1.12   0.209% * 14.5972% (0.73   0.02   0.02) =   0.157%
          QD    LYS+  65 - HB3   ARG+  54  16.35 +/- 1.37   0.087% *  3.5205% (0.18   0.02   0.02) =   0.016%
          HB3   LEU  123 - HB3   ARG+  54  23.53 +/- 1.14   0.011% * 19.4000% (0.97   0.02   0.02) =   0.011%
          QD    LYS+  33 - HB3   ARG+  54  27.66 +/- 1.33   0.004% * 19.4000% (0.97   0.02   0.02) =   0.004%
          HB2   LYS+ 121 - HB3   ARG+  54  21.82 +/- 1.22   0.019% *  3.9782% (0.20   0.02   0.02) =   0.004%
    Distance limit 2.99 A violated in 19 structures by 1.92 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.22, residual support = 165.5:
      O   HN    ARG+  54 - HB3   ARG+  54   2.59 +/- 0.58  99.987% * 99.7769% (0.87  10.0   5.22 165.53) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  13.14 +/- 0.83   0.013% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  27.53 +/- 0.89   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  33.00 +/- 0.64   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.34, residual support = 165.5:
      O   HN    ARG+  54 - HB2   ARG+  54   2.97 +/- 0.63  99.946% * 99.6984% (0.87  10.0   6.34 165.53) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.96 +/- 1.04   0.030% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.24 +/- 2.13   0.007% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  15.79 +/- 1.99   0.008% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.09 +/- 1.48   0.004% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.56 +/- 3.55   0.003% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  27.67 +/- 1.00   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  33.06 +/- 0.74   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  22.40 +/- 3.46   0.002% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  27.30 +/- 1.74   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  26.16 +/- 1.88   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  35.71 +/- 2.01   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 28.3:
          QE    PHE   59 - HA    LEU  115   3.32 +/- 1.44  90.024% * 83.3682% (0.25   1.50  28.39) =  99.728%  kept
          QD    PHE   60 - HA    ARG+  54   7.54 +/- 1.10   4.527% *  2.5542% (0.57   0.02   0.02) =   0.154%
          HN    PHE   59 - HA    ARG+  54   7.81 +/- 0.72   2.948% *  1.8547% (0.41   0.02   0.02) =   0.073%
          QE    PHE   59 - HA    ARG+  54  10.67 +/- 1.43   0.520% *  3.6125% (0.80   0.02   0.02) =   0.025%
          QD    PHE   60 - HA    LEU  115   9.36 +/- 1.04   1.004% *  0.7859% (0.17   0.02   0.02) =   0.010%
          HN    PHE   59 - HA    LEU  115   8.00 +/- 1.27   0.839% *  0.5707% (0.13   0.02  28.39) =   0.006%
          HN    LYS+  66 - HA    ARG+  54  16.45 +/- 0.83   0.031% *  4.4221% (0.98   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    LEU  115  12.52 +/- 1.25   0.094% *  1.3607% (0.30   0.02   0.02) =   0.002%
          HN    LYS+  81 - HA    ARG+  54  20.41 +/- 0.78   0.009% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  23.49 +/- 1.48   0.004% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 6 structures by 0.52 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.925, support = 6.15, residual support = 155.6:
      O   HN    ARG+  54 - HA    ARG+  54   2.72 +/- 0.02  83.023% * 75.5578% (0.97  10.0   6.34 165.53) =  93.892%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.54 +/- 0.04  16.888% * 24.1648% (0.31  10.0   3.28   3.17) =   6.108%  kept
          HN    ASP-  62 - HA    ARG+  54  10.75 +/- 0.86   0.024% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.11 +/- 1.19   0.041% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.37 +/- 1.13   0.007% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.54 +/- 1.15   0.017% *  0.0074% (0.09   1.0   0.02   4.16) =   0.000%
          HN    LEU   31 - HA    ARG+  54  25.28 +/- 0.92   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.38 +/- 0.77   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.25 +/- 0.73   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  30.61 +/- 0.79   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.28, residual support = 17.7:
          HN    ILE   56 - QB    PHE   55   2.72 +/- 0.32  99.368% * 97.4393% (0.57   4.28  17.72) =  99.999%  kept
          HN    LYS+ 111 - QB    PHE   55   6.73 +/- 1.00   0.547% *  0.1792% (0.22   0.02   0.02) =   0.001%
          QE    PHE   60 - QB    PHE   55  10.23 +/- 1.48   0.062% *  0.2007% (0.25   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  11.69 +/- 0.47   0.021% *  0.5528% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  19.58 +/- 0.63   0.001% *  0.6722% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  23.31 +/- 0.81   0.000% *  0.7767% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  18.46 +/- 0.58   0.001% *  0.1792% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.88, residual support = 19.8:
      O   HN    PHE   55 - QB    PHE   55   2.08 +/- 0.12  98.801% * 99.5965% (0.73  10.0   2.88  19.76) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.36 +/- 0.12   1.193% *  0.0832% (0.61   1.0   0.02   3.17) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.68 +/- 0.41   0.006% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.30 +/- 0.92   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  24.21 +/- 0.67   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  28.16 +/- 0.52   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.888, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.77 +/- 0.97  94.658% * 36.5548% (0.90   0.02   0.02) =  97.240%  kept
          HN    LYS+  66 - QB    PHE   55  15.45 +/- 0.56   3.635% * 16.7569% (0.41   0.02   0.02) =   1.712%  kept
          HN    LYS+  81 - QB    PHE   55  20.29 +/- 0.74   0.779% * 40.3993% (0.99   0.02   0.02) =   0.884%  kept
          HE3   TRP   27 - QB    PHE   55  19.37 +/- 0.78   0.927% *  6.2891% (0.15   0.02   0.02) =   0.164%
    Distance limit 3.14 A violated in 20 structures by 5.55 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 6.04, residual support = 122.9:
      O   HN    ILE   56 - HB    ILE   56   2.51 +/- 0.42  99.599% * 98.8687% (0.25  10.0   6.04 122.95) =  99.999%  kept
          QE    PHE   60 - HB    ILE   56   8.87 +/- 1.93   0.241% *  0.2245% (0.57   1.0   0.02   2.16) =   0.001%
          HN    LEU   63 - HB    ILE   56   9.99 +/- 0.73   0.159% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  18.67 +/- 1.14   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  22.96 +/- 1.38   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.491, support = 2.36, residual support = 14.5:
          QD    PHE   55 - HB    ILE   56   4.06 +/- 0.64  70.658% * 61.4967% (0.41   2.73  17.72) =  81.273%  kept
          QE    PHE   95 - HB    ILE   56   5.91 +/- 2.17  29.148% * 34.3443% (0.84   0.75   0.55) =  18.724%  kept
          HD1   TRP   49 - HB    ILE   56  12.09 +/- 1.77   0.156% *  0.8380% (0.76   0.02   0.02) =   0.002%
          HN    LEU   67 - HB    ILE   56  15.85 +/- 0.70   0.021% *  1.0868% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  20.29 +/- 1.19   0.005% *  0.9511% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  18.44 +/- 1.26   0.009% *  0.3740% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  23.76 +/- 1.52   0.002% *  0.6650% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  28.16 +/- 1.18   0.001% *  0.2441% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.64, residual support = 122.9:
      O T QD1   ILE   56 - HB    ILE   56   2.41 +/- 0.20  99.990% * 99.4902% (0.87  10.0 10.00   4.64 122.95) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  14.05 +/- 1.67   0.006% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  15.31 +/- 1.12   0.002% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  16.99 +/- 1.17   0.001% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  22.31 +/- 1.17   0.000% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.91, residual support = 122.9:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.993% * 98.2187% (0.87  10.0 10.00   3.91 122.95) = 100.000%  kept
        T HG3   LYS+ 121 - QG1   ILE   56  13.25 +/- 0.86   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QG1   ILE   56  12.89 +/- 0.98   0.001% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.00 +/- 1.28   0.005% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  19.02 +/- 1.16   0.000% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.65, residual support = 122.9:
        T QG2   ILE   56 - QD1   ILE   56   3.16 +/- 0.34  99.782% * 98.5057% (0.72 10.00   4.65 122.95) = 100.000%  kept
        T QB    ALA   34 - QD1   ILE   56  16.66 +/- 0.66   0.005% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   56  10.07 +/- 1.06   0.119% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56  10.62 +/- 0.77   0.083% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  17.65 +/- 1.02   0.004% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  16.27 +/- 0.60   0.006% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  24.23 +/- 1.31   0.001% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.818, support = 2.38, residual support = 5.45:
          QB    ALA  110 - QD1   ILE   56   3.97 +/- 2.10  43.365% * 88.6470% (0.85  1.00   2.48   5.72) =  95.222%  kept
          HB3   LEU  115 - QD1   ILE   56   3.50 +/- 1.54  52.005% *  3.6385% (0.21  1.00   0.41   0.02) =   4.687%  kept
          QB    ALA   61 - QD1   ILE   56   7.60 +/- 0.36   3.921% *  0.7956% (0.94  1.00   0.02   0.02) =   0.077%
          QG    LYS+  66 - QD1   ILE   56   9.87 +/- 0.95   0.328% *  0.6917% (0.82  1.00   0.02   0.02) =   0.006%
        T HD3   LYS+ 121 - QD1   ILE   56  12.06 +/- 1.22   0.097% *  2.2170% (0.26 10.00   0.02   0.02) =   0.005%
          HB3   LEU   67 - QD1   ILE   56  14.01 +/- 0.98   0.041% *  0.7816% (0.93  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   ILE   56  17.23 +/- 1.26   0.023% *  0.6660% (0.79  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  13.35 +/- 1.14   0.101% *  0.1230% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD1   ILE   56  17.74 +/- 1.21   0.016% *  0.7361% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   56  14.24 +/- 0.76   0.057% *  0.1988% (0.24  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   ILE   56  16.00 +/- 0.95   0.015% *  0.5477% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  17.50 +/- 1.22   0.011% *  0.3278% (0.39  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  15.63 +/- 0.85   0.016% *  0.1775% (0.21  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.68 +/- 1.68   0.003% *  0.4514% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 2 structures by 0.41 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.91, residual support = 122.9:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.909% * 98.9931% (0.85  10.0 10.00   3.91 122.95) = 100.000%  kept
          HD2   LYS+ 111 - QD1   ILE   56   7.18 +/- 1.83   0.063% *  0.0341% (0.29   1.0  1.00   0.02   2.22) =   0.000%
          HB3   MET   92 - QD1   ILE   56   8.17 +/- 1.31   0.023% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.95 +/- 1.45   0.004% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  15.44 +/- 0.72   0.000% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  13.86 +/- 1.03   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.13 +/- 0.87   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.94 +/- 0.80   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.64, residual support = 122.9:
      O T HB    ILE   56 - QD1   ILE   56   2.41 +/- 0.20  99.618% * 98.1990% (0.72  10.0 10.00   4.64 122.95) = 100.000%  kept
          HB3   PRO   58 - QD1   ILE   56   6.45 +/- 0.58   0.300% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD1   ILE   56   9.33 +/- 1.07   0.047% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.73 +/- 1.19   0.030% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  19.49 +/- 0.88   0.000% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.77 +/- 1.12   0.002% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  17.63 +/- 0.85   0.001% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  23.16 +/- 0.82   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  20.48 +/- 0.78   0.000% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.96 +/- 1.64   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.82, residual support = 8.56:
        T HA    LYS+ 112 - QD1   ILE   56   3.21 +/- 1.56  97.416% * 99.8485% (0.79 10.00   1.82   8.56) =  99.999%  kept
          HB    THR   46 - QD1   ILE   56   9.80 +/- 0.67   1.698% *  0.0406% (0.29  1.00   0.02   0.02) =   0.001%
          HB2   HIS  122 - QD1   ILE   56  12.96 +/- 0.62   0.857% *  0.0744% (0.54  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   ILE   56  21.36 +/- 1.54   0.029% *  0.0365% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 2 structures by 0.42 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 3.14, residual support = 8.48:
          HA    ALA  110 - QD1   ILE   56   3.96 +/- 2.84  77.971% * 47.4176% (0.94   2.90   5.72) =  76.981%  kept
          HA    PHE   55 - QD1   ILE   56   4.47 +/- 0.51  21.263% * 51.9910% (0.76   3.94  17.72) =  23.017%  kept
          HA    VAL  107 - QD1   ILE   56   7.57 +/- 1.53   0.676% *  0.1238% (0.36   0.02   0.02) =   0.002%
          HA    GLN   90 - QD1   ILE   56  13.83 +/- 1.16   0.016% *  0.3120% (0.89   0.02   0.02) =   0.000%
          HA    ALA   91 - QD1   ILE   56  11.70 +/- 1.12   0.048% *  0.0822% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  12.92 +/- 0.84   0.027% *  0.0734% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.89 +/- 0.33 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.27 A violated in 20 structures by 7.61 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 0.75, residual support = 19.9:
          HN    PHE   59 - QD1   ILE   56   3.85 +/- 0.30  99.806% * 86.6026% (0.29   0.75  19.86) =  99.985%  kept
          HN    HIS  122 - QD1   ILE   56  11.43 +/- 0.55   0.180% *  6.4904% (0.82   0.02   0.02) =   0.014%
          HH2   TRP   87 - QD1   ILE   56  17.31 +/- 0.88   0.014% *  6.9071% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 1 structures by 0.50 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.5:
          HN    ALA   57 - QD1   ILE   56   4.23 +/- 0.34  86.162% * 98.3780% (0.42   4.64  33.49) =  99.942%  kept
          HE21  GLN  116 - QD1   ILE   56   7.21 +/- 1.83  13.805% *  0.3548% (0.36   0.02   0.02) =   0.058%
          HE21  GLN   90 - QD1   ILE   56  16.55 +/- 1.68   0.030% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  24.02 +/- 1.00   0.003% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 2 structures by 0.54 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 5.65, residual support = 122.9:
          HN    ILE   56 - QD1   ILE   56   3.39 +/- 0.35  98.473% * 96.1063% (0.24   5.65 122.95) =  99.990%  kept
          QE    PHE   60 - QD1   ILE   56   8.46 +/- 1.13   0.678% *  0.7726% (0.54   0.02   2.16) =   0.006%
          HN    LEU   63 - QD1   ILE   56   7.86 +/- 0.33   0.838% *  0.4655% (0.32   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD1   ILE   56  16.73 +/- 0.78   0.008% *  1.3647% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  20.42 +/- 0.96   0.003% *  1.2909% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 1.74, residual support = 8.56:
          HN    LYS+ 112 - QD1   ILE   56   4.31 +/- 1.67  98.133% * 97.4183% (0.50   1.74   8.56) =  99.986%  kept
          HN    ASP-  78 - QD1   ILE   56  15.40 +/- 0.97   0.521% *  1.3795% (0.61   0.02   0.02) =   0.008%
          HN    VAL   75 - QD1   ILE   56  12.51 +/- 0.67   1.334% *  0.4748% (0.21   0.02   0.02) =   0.007%
          HN    MET   11 - QD1   ILE   56  29.19 +/- 1.13   0.012% *  0.7274% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 3 structures by 0.72 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 19.9:
        T HB3   PHE   59 - QG1   ILE   56   2.87 +/- 0.50  97.869% * 99.8494% (0.38 10.00   3.00  19.86) =  99.997%  kept
          HB2   PHE   95 - QG1   ILE   56   6.40 +/- 1.27   2.131% *  0.1506% (0.57  1.00   0.02   0.55) =   0.003%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.349, support = 2.53, residual support = 19.8:
        T HB2   PHE   59 - QG1   ILE   56   2.85 +/- 0.61  90.085% * 73.3063% (0.34 10.00   2.49  19.86) =  96.983%  kept
          QB    PHE   55 - QG1   ILE   56   4.74 +/- 0.38   7.889% * 25.9940% (0.61  1.00   3.99  17.72) =   3.012%  kept
          HD3   PRO   93 - QG1   ILE   56   6.81 +/- 1.68   1.436% *  0.1561% (0.73  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - QG1   ILE   56   7.15 +/- 0.56   0.516% *  0.1927% (0.90  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QG1   ILE   56  10.02 +/- 0.75   0.068% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  15.37 +/- 0.77   0.006% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.68 +/- 0.60 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.81 A violated in 20 structures by 6.86 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 19.9:
          QD    PHE   59 - QG1   ILE   56   3.17 +/- 0.56  99.927% * 96.4506% (0.34   1.97  19.86) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.61 +/- 0.67   0.062% *  1.1777% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  16.72 +/- 1.07   0.007% *  1.3944% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  18.46 +/- 1.11   0.004% *  0.9772% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 122.9:
      O   HN    ILE   56 - HA    ILE   56   2.91 +/- 0.05  99.506% * 98.8687% (0.25  10.0   5.05 122.95) =  99.999%  kept
          QE    PHE   60 - HA    ILE   56   8.70 +/- 1.28   0.321% *  0.2245% (0.57   1.0   0.02   2.16) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.60 +/- 0.71   0.172% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  19.92 +/- 0.94   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  23.77 +/- 1.36   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 24.6:
        T HD2   PRO   58 - QB    ALA   57   2.13 +/- 0.14  96.453% * 98.8080% (0.95 10.00   5.07  24.56) =  99.999%  kept
          HB2   CYS   53 - QB    ALA   57   4.13 +/- 0.76   3.547% *  0.0356% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QB    ALA   57  17.43 +/- 1.02   0.000% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  21.98 +/- 0.87   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.95 +/- 0.72   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.24 +/- 0.37  99.981% * 98.4865% (0.18  10.0   4.87  24.31) = 100.000%  kept
          HE21  GLN   17 - QB    ALA   57  13.71 +/- 1.67   0.006% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  13.33 +/- 0.73   0.004% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - QB    ALA   57  11.81 +/- 1.99   0.007% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.76 +/- 0.64   0.001% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.80 +/- 0.64   0.001% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.48, residual support = 24.3:
      O   HN    ALA   57 - HA    ALA   57   2.79 +/- 0.16  99.968% * 99.6015% (0.57  10.0   4.48  24.31) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  13.19 +/- 2.35   0.021% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  14.33 +/- 0.96   0.007% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  15.89 +/- 1.81   0.004% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.84 +/- 0.94   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.14 +/- 0.01  99.906% * 98.9094% (0.53  10.0 10.00   2.81  24.31) = 100.000%  kept
          HD2   LYS+  74 - HA    ALA   57   8.69 +/- 1.21   0.034% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   8.23 +/- 1.58   0.050% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.96 +/- 1.05   0.007% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  16.49 +/- 1.24   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.78 +/- 1.00   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  17.41 +/- 0.94   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  18.23 +/- 1.00   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.83 +/- 0.95   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.05 +/- 0.88   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.54 +/- 1.36   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.79 +/- 1.34   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.245, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.17 +/- 0.62  93.874% *  5.7685% (0.15   0.02   0.02) =  81.875%  kept
          HN    SER   85 - HB2   PRO   58  25.24 +/- 0.69   1.204% * 29.9364% (0.80   0.02   0.02) =   5.451%  kept
          HN    GLN   32 - HB2   PRO   58  27.03 +/- 1.36   0.847% * 37.3861% (1.00   0.02   0.02) =   4.785%  kept
          HN    LEU   80 - HB2   PRO   58  22.23 +/- 1.27   2.728% * 11.5391% (0.31   0.02   0.02) =   4.760%  kept
          HN    ALA   34 - HB2   PRO   58  25.10 +/- 1.36   1.347% * 15.3699% (0.41   0.02   0.02) =   3.129%  kept
    Distance limit 3.82 A violated in 20 structures by 8.21 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.3, residual support = 37.9:
      O   HN    PHE   59 - HB3   PRO   58   4.06 +/- 0.25  93.617% * 99.6725% (0.61  10.0   6.30  37.87) =  99.996%  kept
          QE    PHE   59 - HB3   PRO   58   8.66 +/- 1.08   1.417% *  0.1360% (0.83   1.0   0.02  37.87) =   0.002%
          QD    PHE   60 - HB3   PRO   58   7.29 +/- 0.79   4.574% *  0.0382% (0.23   1.0   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB3   PRO   58  10.53 +/- 0.96   0.355% *  0.1049% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  15.56 +/- 1.06   0.034% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  24.00 +/- 0.98   0.002% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 144.8:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.978% * 99.7269% (0.95  10.0   5.39 144.78) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   9.53 +/- 0.78   0.022% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  24.74 +/- 0.97   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  27.46 +/- 0.77   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.68 +/- 0.83   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 144.8:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.826% * 99.2991% (0.76  10.0   4.50 144.78) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  12.12 +/- 0.84   0.119% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  14.93 +/- 1.13   0.034% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.80 +/- 0.78   0.011% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.46 +/- 0.99   0.005% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  23.02 +/- 0.82   0.002% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  25.52 +/- 1.55   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.37 +/- 0.96   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.54, residual support = 24.6:
          HN    ALA   57 - HD2   PRO   58   2.06 +/- 0.45  99.991% * 98.5755% (0.54   5.54  24.56) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  11.76 +/- 2.40   0.006% *  0.4068% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  14.08 +/- 0.84   0.002% *  0.6069% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  17.49 +/- 2.09   0.001% *  0.1748% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.60 +/- 0.71   0.000% *  0.2360% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 144.8:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  96.504% * 99.2639% (0.72  10.0   6.52 144.78) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58   9.74 +/- 0.71   0.495% *  0.1254% (0.91   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HD2   PRO   68   8.91 +/- 1.21   1.168% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  14.41 +/- 0.94   0.047% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68   9.56 +/- 1.22   1.002% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.83 +/- 1.62   0.386% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  15.62 +/- 0.72   0.028% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.76 +/- 0.81   0.007% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.86 +/- 1.49   0.202% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  13.73 +/- 1.46   0.082% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  21.21 +/- 0.72   0.004% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.28 +/- 1.21   0.034% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  25.22 +/- 1.23   0.002% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  15.16 +/- 0.95   0.034% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.92 +/- 0.78   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.72 +/- 1.33   0.005% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.32 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.89, residual support = 24.6:
          HN    ALA   57 - HD3   PRO   58   2.04 +/- 0.09  99.957% * 97.8763% (0.54   3.89  24.56) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58  10.39 +/- 2.34   0.016% *  0.5747% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.50 +/- 0.79   0.002% *  0.8573% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68   9.41 +/- 1.83   0.020% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  17.66 +/- 1.96   0.000% *  0.2470% (0.26   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  13.13 +/- 1.46   0.002% *  0.0380% (0.04   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  18.37 +/- 0.69   0.000% *  0.3334% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  12.49 +/- 1.18   0.002% *  0.0109% (0.01   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  16.06 +/- 2.17   0.001% *  0.0254% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  18.74 +/- 1.18   0.000% *  0.0223% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.6:
          QB    ALA   57 - HD3   PRO   58   3.29 +/- 0.09  99.040% * 96.7335% (0.87   3.30  24.56) =  99.999%  kept
          HD2   LYS+  74 - HD3   PRO   58  12.12 +/- 1.19   0.051% *  0.6298% (0.94   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   PRO   58  11.08 +/- 0.98   0.084% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  14.18 +/- 1.50   0.018% *  0.5698% (0.85   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   8.75 +/- 1.47   0.614% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  15.43 +/- 1.17   0.011% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  16.39 +/- 0.69   0.007% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  11.05 +/- 1.67   0.094% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  20.54 +/- 0.81   0.002% *  0.2612% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  13.35 +/- 1.67   0.028% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  23.66 +/- 1.42   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.80 +/- 1.76   0.016% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  16.78 +/- 1.87   0.009% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.88 +/- 0.91   0.009% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.67 +/- 1.53   0.016% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.10 +/- 0.76   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  25.17 +/- 1.86   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  23.96 +/- 1.68   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.6:
        T QB    ALA   57 - HD2   PRO   58   2.13 +/- 0.14  99.987% * 97.4262% (0.87 10.00   5.07  24.56) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  12.22 +/- 1.33   0.005% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  11.08 +/- 1.07   0.007% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  15.49 +/- 1.45   0.001% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  21.02 +/- 0.96   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  17.08 +/- 1.19   0.000% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.72 +/- 0.65   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.12 +/- 0.77   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  24.09 +/- 1.50   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 144.8:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.982% * 99.6708% (0.89  10.0 10.00   7.73 144.78) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   7.59 +/- 0.64   0.017% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  18.45 +/- 0.91   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  22.14 +/- 0.96   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  15.11 +/- 1.70   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.51 +/- 0.73   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.00 +/- 1.46   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  26.91 +/- 0.72   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  25.24 +/- 1.79   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  22.16 +/- 1.32   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 144.8:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.994% * 99.5891% (0.95  10.0 10.00   7.73 144.78) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.84 +/- 0.30   0.006% *  0.0446% (0.42   1.0  1.00   0.02   0.74) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  18.45 +/- 0.91   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.71 +/- 1.12   0.000% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.65, residual support = 37.9:
          HN    PHE   59 - HD2   PRO   58   3.70 +/- 0.03  98.885% * 99.0695% (0.69   6.65  37.87) =  99.998%  kept
          QE    PHE   59 - HD2   PRO   58   8.24 +/- 0.84   1.100% *  0.1400% (0.32   0.02  37.87) =   0.002%
          HN    HIS  122 - HD2   PRO   58  16.54 +/- 0.87   0.013% *  0.4023% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  22.63 +/- 0.85   0.002% *  0.3882% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 19.9:
        T QG1   ILE   56 - HB3   PHE   59   2.87 +/- 0.50  99.994% * 99.6917% (0.53 10.00   3.00  19.86) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  17.24 +/- 0.95   0.003% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  17.96 +/- 1.03   0.003% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.507, support = 0.631, residual support = 5.37:
          HB3   ASP-  62 - HB3   PHE   59   4.82 +/- 0.64  51.677% * 61.0439% (0.45   0.75   6.56) =  81.365%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.09 +/- 2.50  43.633% * 15.0407% (0.80   0.10   0.02) =  16.927%  kept
          HB    VAL  107 - HB3   PHE   59   7.49 +/- 1.24   4.593% * 14.3545% (0.38   0.21   1.74) =   1.700%  kept
          HB3   PHE   45 - HB3   PHE   59  13.30 +/- 0.96   0.092% *  2.9074% (0.80   0.02   0.02) =   0.007%
          HB3   ASP-  86 - HB3   PHE   59  22.01 +/- 0.96   0.004% *  3.1495% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  27.57 +/- 1.25   0.001% *  3.5040% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 19.9:
        T QG1   ILE   56 - HB2   PHE   59   2.85 +/- 0.61  99.977% * 99.0024% (0.18 10.00   2.49  19.86) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  13.58 +/- 1.26   0.013% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  16.80 +/- 1.45   0.003% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  17.73 +/- 1.00   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  18.28 +/- 1.22   0.002% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  21.32 +/- 1.66   0.001% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 57.3:
      O   HN    PHE   59 - HB3   PHE   59   2.38 +/- 0.47  99.960% * 99.4232% (0.31  10.0   4.98  57.30) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  11.22 +/- 1.17   0.039% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  19.85 +/- 0.96   0.001% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 57.3:
      O   HN    PHE   59 - HB2   PHE   59   2.51 +/- 0.48  95.191% * 99.7763% (1.00  10.0   4.37  57.30) =  99.996%  kept
          QE    PHE   59 - HB2   PHE   59   4.47 +/- 0.04   4.722% *  0.0799% (0.80   1.0   0.02  57.30) =   0.004%
          HN    LYS+  66 - HB2   PHE   59   9.82 +/- 0.74   0.060% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB2   PHE   59  11.28 +/- 0.99   0.026% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  19.37 +/- 1.25   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.56:
          HB2   ASP-  62 - HA    PHE   59   3.07 +/- 0.45  99.921% * 97.0773% (0.99  1.00   1.50   6.56) =  99.998%  kept
        T QB    ASP- 113 - HA    PHE   59  11.26 +/- 0.66   0.059% *  2.2871% (0.18 10.00   0.02   0.02) =   0.001%
          HB2   PRO   52 - HA    PHE   59  13.37 +/- 0.99   0.020% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.56:
          HB3   ASP-  62 - HA    PHE   59   2.40 +/- 0.60  99.690% * 85.4423% (0.18  1.00   2.96   6.56) =  99.996%  kept
          HG3   GLN  116 - HA    PHE   59   8.15 +/- 1.32   0.305% *  1.1256% (0.34  1.00   0.02   0.02) =   0.004%
        T HB3   TRP   87 - HA    PHE   59  18.40 +/- 1.08   0.001% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    PHE   59  15.60 +/- 1.00   0.004% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  28.22 +/- 1.85   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.96, residual support = 57.3:
      O   HN    PHE   59 - HA    PHE   59   2.76 +/- 0.05  96.560% * 99.7763% (1.00  10.0   4.96  57.30) =  99.997%  kept
          QE    PHE   59 - HA    PHE   59   5.03 +/- 0.40   3.149% *  0.0799% (0.80   1.0   0.02  57.30) =   0.003%
          HN    LYS+  66 - HA    PHE   59   7.60 +/- 0.69   0.254% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59  10.54 +/- 0.96   0.036% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  20.35 +/- 0.93   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 19.2:
          HN    PHE   60 - HB3   PHE   59   3.59 +/- 0.47  93.426% * 98.7564% (0.61   4.01  19.21) =  99.988%  kept
          HN    GLN  116 - HB3   PHE   59   6.50 +/- 0.79   5.448% *  0.1423% (0.18   0.02   0.02) =   0.008%
          HN    THR  118 - HB3   PHE   59   8.46 +/- 1.14   1.122% *  0.3049% (0.38   0.02  10.13) =   0.004%
          HN    GLU-  15 - HB3   PHE   59  20.45 +/- 0.85   0.003% *  0.7964% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.983, support = 3.89, residual support = 70.9:
          QD    PHE   60 - HA    PHE   60   2.69 +/- 0.36  81.594% * 91.3381% (1.00   3.94  71.94) =  98.091%  kept
          QE    PHE   59 - HA    PHE   60   4.30 +/- 1.52  18.236% *  7.9516% (0.25   1.37  19.21) =   1.909%  kept
          HN    LYS+  66 - HA    PHE   60   7.85 +/- 0.39   0.169% *  0.3378% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  19.71 +/- 0.95   0.001% *  0.3725% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 71.9:
      O   HN    PHE   60 - HA    PHE   60   2.79 +/- 0.05  99.906% * 99.7483% (0.61  10.0   4.94  71.94) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.33 +/- 0.84   0.044% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.12 +/- 0.63   0.048% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  16.45 +/- 0.74   0.003% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.87, residual support = 40.8:
      O   HN    ALA   61 - HA    PHE   60   3.64 +/- 0.02  99.925% * 99.5823% (0.84  10.0   4.87  40.76) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  15.56 +/- 0.97   0.018% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  14.61 +/- 0.77   0.025% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  17.27 +/- 1.29   0.010% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  15.90 +/- 0.60   0.015% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  18.60 +/- 0.91   0.006% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  22.08 +/- 1.04   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.154, support = 0.748, residual support = 0.745:
          HA    ALA   57 - HB2   PHE   60   3.06 +/- 0.50  98.248% * 42.7977% (0.15   0.75   0.75) =  99.696%  kept
          HA    ASP-  44 - HB2   PHE   60   6.98 +/- 0.80   1.702% *  7.3803% (1.00   0.02   3.02) =   0.298%
          HB    THR   77 - HB2   PHE   60  14.48 +/- 0.82   0.014% *  7.2502% (0.98   0.02   0.02) =   0.002%
          HA1   GLY   51 - HB2   PHE   60  13.41 +/- 0.89   0.017% *  2.7761% (0.38   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   PHE   60  17.10 +/- 1.34   0.006% *  6.8280% (0.92   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   PHE   60  18.31 +/- 1.11   0.004% *  4.1877% (0.57   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   PHE   60  19.73 +/- 0.64   0.002% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  18.61 +/- 1.11   0.003% *  3.0409% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   PHE   60  19.68 +/- 0.99   0.002% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  20.67 +/- 0.63   0.002% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  24.58 +/- 1.23   0.001% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  27.52 +/- 1.48   0.000% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 71.9:
      O   QD    PHE   60 - HB2   PHE   60   2.31 +/- 0.03  99.935% * 99.7759% (0.76  10.0   3.76  71.94) = 100.000%  kept
          QD    PHE   55 - HB2   PHE   60   8.82 +/- 1.01   0.044% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   60   9.65 +/- 0.37   0.019% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  14.36 +/- 1.18   0.002% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  18.97 +/- 0.85   0.000% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.83, residual support = 40.8:
          HN    ALA   61 - HB2   PHE   60   2.71 +/- 0.34  99.983% * 95.6816% (0.38   4.83  40.76) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  14.93 +/- 0.65   0.005% *  0.9468% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  14.84 +/- 0.99   0.006% *  0.4733% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.59 +/- 1.38   0.002% *  0.8454% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  20.83 +/- 1.03   0.001% *  0.9745% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  17.00 +/- 0.69   0.002% *  0.1629% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.50 +/- 1.14   0.001% *  0.3601% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  23.96 +/- 1.19   0.000% *  0.5554% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 71.9:
      O   HN    PHE   60 - HB2   PHE   60   2.01 +/- 0.16  99.994% * 99.7483% (0.61  10.0   4.80  71.94) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  12.23 +/- 0.89   0.002% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.20 +/- 0.58   0.004% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  17.39 +/- 0.85   0.000% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 3.32, residual support = 12.0:
        T QD1   LEU   63 - HA    PHE   60   2.84 +/- 0.58  82.481% * 93.1165% (1.00 10.00   3.33  11.98) =  98.891%  kept
          QD2   LEU   63 - HA    PHE   60   4.62 +/- 1.18  16.363% *  5.2565% (0.57  1.00   1.99  11.98) =   1.107%  kept
          QD2   LEU  115 - HA    PHE   60   6.68 +/- 1.20   1.065% *  0.0778% (0.84  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    PHE   60  11.06 +/- 1.06   0.049% *  0.9312% (1.00 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    PHE   60  12.29 +/- 1.06   0.018% *  0.5272% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  13.81 +/- 1.74   0.013% *  0.0746% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  14.01 +/- 1.23   0.010% *  0.0163% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 12.0:
        T HB2   LEU   63 - HA    PHE   60   3.21 +/- 0.34  83.861% * 98.8172% (0.92 10.00   1.50  11.98) =  99.973%  kept
          HB3   ASP-  44 - HA    PHE   60   4.73 +/- 0.91  15.386% *  0.1399% (0.98  1.00   0.02   3.02) =   0.026%
          HB3   PRO   93 - HA    PHE   60   8.25 +/- 1.59   0.577% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    PHE   60  13.40 +/- 0.91   0.018% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  14.24 +/- 0.70   0.012% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.71 +/- 1.06   0.011% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  12.71 +/- 0.88   0.028% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.45 +/- 1.60   0.014% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.58 +/- 1.24   0.048% *  0.0220% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  12.56 +/- 1.07   0.030% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  16.68 +/- 1.30   0.005% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  18.76 +/- 1.10   0.002% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  16.84 +/- 0.93   0.005% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.54 +/- 1.09   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  22.35 +/- 0.84   0.001% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 0.985, residual support = 3.54:
        T QG2   VAL   18 - HA    ALA   61   3.29 +/- 1.86  90.550% * 93.9113% (0.34 10.00   0.99   3.54) =  99.967%  kept
          QG2   THR   46 - HA    ALA   61   8.41 +/- 1.13   6.393% *  0.1393% (0.25  1.00   0.02   0.02) =   0.010%
        T QG1   VAL   41 - HA    ALA   61  12.80 +/- 0.77   0.190% *  4.2702% (0.76 10.00   0.02   0.02) =   0.010%
          QD1   ILE   56 - HA    ALA   61   9.49 +/- 0.34   1.628% *  0.3389% (0.61  1.00   0.02   0.02) =   0.006%
          QD2   LEU   73 - HA    ALA   61   9.23 +/- 0.88   0.767% *  0.4847% (0.87  1.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    ALA   61  10.77 +/- 0.65   0.448% *  0.3163% (0.57  1.00   0.02   0.02) =   0.002%
          HG    LEU   31 - HA    ALA   61  17.38 +/- 1.15   0.023% *  0.5392% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 3 structures by 0.77 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.57, residual support = 7.4:
        T QB    ALA   64 - HA    ALA   61   2.85 +/- 0.40  99.799% * 98.7496% (0.34 10.00   2.57   7.40) =  99.999%  kept
        T QG1   VAL   75 - HA    ALA   61  11.77 +/- 0.79   0.034% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
          QD1   LEU  115 - HA    ALA   61   8.99 +/- 0.83   0.168% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.4:
          HN    ALA   64 - HA    ALA   61   3.37 +/- 0.16 100.000% *100.0000% (0.84   0.75   7.40) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.77, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.83 +/- 0.04  99.990% * 98.9218% (0.38  10.0   2.77  18.03) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  16.84 +/- 1.49   0.003% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  17.30 +/- 0.77   0.002% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  18.23 +/- 0.94   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  18.92 +/- 1.09   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  21.58 +/- 1.17   0.001% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  20.07 +/- 1.02   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  19.07 +/- 0.51   0.001% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.725, support = 3.83, residual support = 71.5:
      O   QD    PHE   60 - HB3   PHE   60   2.68 +/- 0.11  86.052% * 94.1621% (0.73  10.0   3.85  71.94) =  99.128%  kept
          QE    PHE   59 - HB3   PHE   60   5.15 +/- 2.12  12.663% *  5.6238% (0.65   1.0   1.34  19.21) =   0.871%  kept
          HN    PHE   59 - HB3   PHE   60   5.55 +/- 0.34   1.243% *  0.0361% (0.28   1.0   0.02  19.21) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.67 +/- 0.38   0.041% *  0.1294% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  18.17 +/- 0.98   0.001% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.94, residual support = 71.9:
      O   HN    PHE   60 - HB3   PHE   60   2.91 +/- 0.25  99.997% * 99.5797% (0.20  10.0   4.94  71.94) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  17.05 +/- 0.96   0.003% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.877, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  13.83 +/- 0.76  59.996% * 23.9067% (0.95   0.02   0.02) =  70.706%  kept
          HN    TRP   27 - HB3   PHE   60  16.58 +/- 1.44  21.377% *  8.6206% (0.34   0.02   0.02) =   9.084%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.33 +/- 1.45   8.508% * 20.2366% (0.80   0.02   0.02) =   8.488%  kept
          HN    THR   39 - HB3   PHE   60  19.81 +/- 1.22   7.121% * 23.3294% (0.92   0.02   0.02) =   8.190%  kept
          HN    GLU-  36 - HB3   PHE   60  22.86 +/- 1.32   2.998% * 23.9067% (0.95   0.02   0.02) =   3.533%  kept
    Distance limit 3.53 A violated in 20 structures by 9.14 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.31, residual support = 5.57:
          HA    LYS+  81 - QB    ALA   84   2.29 +/- 0.19  99.989% * 58.7582% (0.33  1.00   2.31   5.57) =  99.999%  kept
        T HA    ASN   28 - QB    ALA   84  12.35 +/- 0.68   0.005% * 13.7635% (0.89 10.00   0.02   0.02) =   0.001%
        T HA    ALA   34 - QB    ALA   84  18.85 +/- 0.79   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  14.90 +/- 0.46   0.001% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  16.09 +/- 1.32   0.001% *  1.3372% (0.87  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  16.98 +/- 1.65   0.001% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  26.32 +/- 1.35   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  13.92 +/- 0.47   0.002% *  0.2301% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  18.36 +/- 1.38   0.000% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  22.71 +/- 0.77   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.183, support = 2.2, residual support = 19.3:
          HA    SER   85 - QB    ALA   84   3.80 +/- 0.03  32.020% * 37.5692% (0.15  1.00   2.33  20.73) =  93.256%  kept
          HA    ASP-  86 - QB    ALA   84   6.50 +/- 0.06   1.265% * 51.2341% (0.84  1.00   0.57   0.02) =   5.023%  kept
          HB    THR   77 - QB    ALA   84   3.31 +/- 0.52  65.738% *  0.3225% (0.15  1.00   0.02   0.02) =   1.643%  kept
        T HA    ASP-  44 - QB    ALA   84   9.76 +/- 0.55   0.123% *  4.1360% (0.19 10.00   0.02   0.02) =   0.039%
          HA    TRP   87 - QB    ALA   84   6.95 +/- 0.13   0.850% *  0.5811% (0.27  1.00   0.02   0.02) =   0.038%
          HA    LEU  104 - QB    ALA   84  17.58 +/- 1.08   0.004% *  2.0169% (0.93  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QB    ALA   84  22.92 +/- 1.09   0.001% *  1.9293% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  26.74 +/- 2.12   0.000% *  1.7457% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  28.74 +/- 2.47   0.000% *  0.4653% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.29, residual support = 18.4:
      O   HN    ALA   84 - QB    ALA   84   2.03 +/- 0.04  99.958% * 98.8488% (0.30  10.0   4.29  18.42) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   7.96 +/- 0.41   0.029% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  10.43 +/- 0.96   0.007% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  11.30 +/- 1.25   0.005% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  14.47 +/- 0.46   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  14.71 +/- 1.07   0.001% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  17.06 +/- 0.57   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 20.7:
          HN    SER   85 - QB    ALA   84   2.67 +/- 0.11  98.616% * 98.8043% (0.77   3.87  20.73) =  99.997%  kept
          HN    LEU   80 - QB    ALA   84   5.60 +/- 0.42   1.366% *  0.1969% (0.30   0.02   0.02) =   0.003%
          HN    GLN   32 - QB    ALA   84  15.97 +/- 0.86   0.002% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  11.82 +/- 0.54   0.014% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  17.55 +/- 0.81   0.001% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.928, support = 0.02, residual support = 24.4:
          HN    LEU  123 - QB    ALA  120   3.85 +/- 0.08  95.624% * 42.6516% (0.94   0.02  25.03) =  97.275%  kept
          HN    ALA  124 - QB    ALA  120   6.43 +/- 0.12   4.369% * 26.1005% (0.57   0.02   0.02) =   2.720%  kept
          HE21  GLN   17 - QB    ALA  120  19.03 +/- 1.34   0.007% * 31.2479% (0.69   0.02   0.02) =   0.005%
    Distance limit 2.72 A violated in 20 structures by 1.10 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.27, residual support = 6.28:
        T HA    SER  117 - QB    ALA  120   2.57 +/- 0.33  99.986% * 99.1094% (0.54 10.00   2.27   6.28) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  13.80 +/- 0.78   0.006% *  0.1656% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.57 +/- 1.12   0.002% *  0.0991% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  13.95 +/- 0.61   0.005% *  0.0307% (0.17  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  24.08 +/- 0.50   0.000% *  0.3897% (0.21 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.34 +/- 0.96   0.001% *  0.1202% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.20 +/- 0.58   0.000% *  0.0852% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.03, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.04 +/- 0.07  99.929% * 99.3531% (0.97  10.0   4.03  18.03) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   8.66 +/- 1.20   0.059% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  10.76 +/- 1.87   0.007% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  15.29 +/- 1.39   0.001% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.48 +/- 0.80   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.20 +/- 0.86   0.000% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.11 +/- 0.72   0.002% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  17.36 +/- 0.44   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  15.59 +/- 0.61   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.11 +/- 0.79   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  20.11 +/- 0.74   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.64 +/- 0.62   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.59:
      O   HN    ALA  110 - QB    ALA  110   2.62 +/- 0.26  99.765% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   9.22 +/- 0.84   0.071% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61   9.30 +/- 0.63   0.061% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   8.94 +/- 0.67   0.082% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  13.05 +/- 1.99   0.009% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.55 +/- 0.84   0.010% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  17.66 +/- 1.44   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.36 +/- 1.07   0.000% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.989, support = 2.77, residual support = 8.19:
          HN    ASP-  62 - QB    ALA   61   2.93 +/- 0.09  88.920% * 85.5857% (1.00   2.79   8.30) =  98.623%  kept
          HN    PHE   55 - QB    ALA  110   5.07 +/- 1.95   9.372% * 11.2662% (0.33   1.10   0.48) =   1.368%  kept
          HN    ARG+  54 - QB    ALA  110   6.33 +/- 1.85   1.550% *  0.3949% (0.64   0.02   0.02) =   0.008%
          HN    ARG+  54 - QB    ALA   61  10.12 +/- 0.73   0.058% *  0.5337% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   9.94 +/- 0.71   0.064% *  0.2758% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  11.50 +/- 1.73   0.030% *  0.4543% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.35 +/- 1.13   0.003% *  0.6031% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.12 +/- 0.84   0.001% *  0.2529% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  21.46 +/- 0.54   0.001% *  0.4463% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  25.24 +/- 0.52   0.000% *  0.1872% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.838, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  18.60 +/- 1.50  35.111% * 28.1529% (1.00   0.02   0.02) =  43.708%  kept
          HA    GLU-  14 - HB2   ASP-  62  17.96 +/- 1.33  42.519% * 21.5631% (0.76   0.02   0.02) =  40.540%  kept
          HA    ALA   12 - HB2   ASP-  62  23.83 +/- 1.34   7.636% * 18.2527% (0.65   0.02   0.02) =   6.163%  kept
          HA    TRP   87 - HB2   ASP-  62  22.78 +/- 1.05  10.207% * 12.6499% (0.45   0.02   0.02) =   5.709%  kept
          HA    ASP-  86 - HB2   ASP-  62  25.94 +/- 0.85   4.528% * 19.3814% (0.69   0.02   0.02) =   3.881%  kept
    Distance limit 3.38 A violated in 20 structures by 12.02 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.787, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  17.96 +/- 1.12  39.046% * 10.2586% (0.98  1.00   0.02   0.02) =  34.957%  kept
        T HA    ASP-  86 - HB3   ASP-  62  25.26 +/- 0.72   4.968% * 70.6236% (0.67 10.00   0.02   0.02) =  30.617%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.10 +/- 1.33  37.695% *  7.8573% (0.75  1.00   0.02   0.02) =  25.848%  kept
          HA    TRP   87 - HB3   ASP-  62  22.05 +/- 0.82  11.438% *  4.6095% (0.44  1.00   0.02   0.02) =   4.601%  kept
          HA    ALA   12 - HB3   ASP-  62  23.96 +/- 1.23   6.853% *  6.6511% (0.63  1.00   0.02   0.02) =   3.978%  kept
    Distance limit 3.12 A violated in 20 structures by 12.12 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.0, residual support = 3.75:
          HN    LYS+  65 - HA    ASP-  62   3.30 +/- 0.20 100.000% *100.0000% (0.15   1.00   3.75) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.77 +/- 0.03  99.988% * 99.7294% (1.00  10.0   3.84  41.02) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.95 +/- 0.68   0.004% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  13.93 +/- 0.73   0.007% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.12 +/- 0.98   0.001% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.42 +/- 0.74   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB2   ASP-  62   3.42 +/- 0.55  99.744% * 98.7146% (0.97   5.25  42.51) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  10.33 +/- 0.76   0.211% *  0.3496% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   ASP-  62  13.52 +/- 1.97   0.039% *  0.2051% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  20.92 +/- 0.89   0.002% *  0.1897% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  23.60 +/- 1.21   0.001% *  0.2677% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  23.15 +/- 0.73   0.001% *  0.2051% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.15 +/- 0.97   0.000% *  0.0683% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.66 +/- 0.43  99.993% * 99.6462% (0.69  10.0   3.84  41.02) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.68 +/- 0.99   0.007% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  23.49 +/- 1.07   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.04 +/- 1.06   0.001% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB3   ASP-  62   2.86 +/- 0.37  99.911% * 98.7146% (0.95   5.25  42.51) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62   9.96 +/- 0.62   0.068% *  0.3496% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  12.88 +/- 1.94   0.018% *  0.2051% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  20.26 +/- 0.80   0.001% *  0.1897% (0.48   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  23.08 +/- 1.29   0.000% *  0.2677% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  22.55 +/- 0.83   0.001% *  0.2051% (0.52   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  28.77 +/- 1.09   0.000% *  0.0683% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.45 +/- 0.39  99.985% * 99.7294% (0.98  10.0   3.84  41.02) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.42 +/- 0.75   0.005% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  12.06 +/- 0.81   0.009% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  21.59 +/- 1.02   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.12 +/- 0.75   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.983, support = 2.32, residual support = 5.9:
          QB    LYS+  66 - HA    LEU   63   2.66 +/- 0.56  95.230% * 51.9111% (1.00   2.27   6.08) =  96.190%  kept
          QB    LYS+  65 - HA    LEU   63   5.21 +/- 0.35   4.273% * 45.7924% (0.57   3.54   1.47) =   3.807%  kept
          HG    LEU  123 - HA    LEU   63   7.91 +/- 1.12   0.457% *  0.2588% (0.57   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    LEU   63  13.54 +/- 0.63   0.010% *  0.4324% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LEU   63  12.61 +/- 0.46   0.015% *  0.2405% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  14.86 +/- 1.54   0.006% *  0.4100% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  15.47 +/- 1.40   0.005% *  0.3818% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  16.31 +/- 0.98   0.003% *  0.3140% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.71 +/- 0.91   0.001% *  0.2588% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.531, support = 1.59, residual support = 6.14:
          HN    LYS+  66 - HA    LEU   63   3.42 +/- 0.25  92.531% * 46.8026% (0.53   1.61   6.08) =  97.610%  kept
          QD    PHE   60 - HA    LEU   63   6.91 +/- 0.49   1.638% * 47.2338% (0.97   0.89  11.98) =   1.744%  kept
          QE    PHE   59 - HA    LEU   63   6.41 +/- 1.04   5.830% *  4.9181% (0.14   0.66   0.58) =   0.646%  kept
          HN    LYS+  81 - HA    LEU   63  24.39 +/- 0.78   0.001% *  1.0455% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.4:
      O   HN    LEU   63 - HA    LEU   63   2.78 +/- 0.04  99.981% * 99.6457% (1.00  10.0   7.54 242.41) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.01 +/- 0.67   0.010% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.22 +/- 1.77   0.007% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  18.28 +/- 0.67   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  21.93 +/- 0.82   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  21.02 +/- 1.25   0.001% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.67 +/- 0.77   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 12.0:
        T HA    PHE   60 - HB2   LEU   63   3.21 +/- 0.34  98.969% * 98.4768% (0.49 10.00   1.50  11.98) =  99.999%  kept
          HA    ALA  120 - HB2   LEU   63   9.82 +/- 1.03   0.227% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.77 +/- 0.24   0.566% *  0.0472% (0.18  1.00   0.02   1.47) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.20 +/- 0.88   0.083% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  12.01 +/- 1.02   0.056% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.66 +/- 0.86   0.033% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.46 +/- 1.05   0.057% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  18.35 +/- 0.78   0.003% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  18.06 +/- 0.80   0.004% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  20.70 +/- 0.68   0.002% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.32, residual support = 54.7:
          HN    ALA   64 - HB2   LEU   63   2.96 +/- 0.35 100.000% *100.0000% (0.57   7.32  54.69) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.66, residual support = 19.0:
          QE    PHE   72 - HB2   LEU   63   3.00 +/- 0.85  99.971% * 99.3519% (0.99   2.66  18.99) = 100.000%  kept
          HN    ALA   47 - HB2   LEU   63  13.97 +/- 0.87   0.026% *  0.3381% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  18.97 +/- 1.11   0.003% *  0.3100% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.96, residual support = 242.4:
      O   HN    LEU   63 - HB2   LEU   63   2.14 +/- 0.13  99.990% * 99.6457% (1.00  10.0   7.96 242.41) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.18 +/- 0.69   0.005% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.69 +/- 1.73   0.003% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  16.04 +/- 0.79   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  19.23 +/- 0.92   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  18.97 +/- 1.36   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  24.57 +/- 1.13   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.55, residual support = 42.5:
          HN    ASP-  62 - HB2   LEU   63   4.47 +/- 0.11  99.720% * 98.5506% (0.76   4.55  42.51) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.52 +/- 0.80   0.140% *  0.5089% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.42 +/- 0.76   0.094% *  0.2333% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.33 +/- 1.14   0.032% *  0.4740% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  19.84 +/- 0.70   0.014% *  0.2333% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.73, residual support = 54.7:
          HN    ALA   64 - HB3   LEU   63   3.42 +/- 0.47 100.000% *100.0000% (0.57   6.73  54.69) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.13, residual support = 19.0:
        T HZ    PHE   72 - HB3   LEU   63   2.94 +/- 0.94  99.982% * 99.9822% (0.87 10.00   3.13  18.99) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.28 +/- 1.05   0.018% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.59, residual support = 242.4:
      O   HN    LEU   63 - HB3   LEU   63   3.40 +/- 0.10  99.915% * 99.6457% (1.00  10.0   7.59 242.41) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.76 +/- 0.72   0.038% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  13.59 +/- 1.65   0.029% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  15.84 +/- 0.81   0.011% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  19.67 +/- 0.96   0.003% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  18.72 +/- 1.64   0.004% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.75 +/- 1.26   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.4:
          HN    LEU   63 - HG    LEU   63   3.16 +/- 0.40  97.802% * 98.9401% (0.76   7.54 242.41) =  99.998%  kept
          QE    PHE   60 - HG    LEU   63   7.58 +/- 1.27   2.102% *  0.0679% (0.20   0.02  11.98) =   0.001%
          HN    ILE   56 - HG    LEU   63  11.53 +/- 1.10   0.047% *  0.2220% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.19 +/- 1.98   0.039% *  0.0954% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  16.90 +/- 0.96   0.006% *  0.2623% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  20.17 +/- 1.13   0.002% *  0.3168% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  20.30 +/- 1.10   0.002% *  0.0954% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.33, residual support = 12.0:
        T HA    PHE   60 - QD1   LEU   63   2.84 +/- 0.58  97.482% * 77.3587% (0.14 10.00   3.33  11.98) =  99.889%  kept
          HA    ALA  120 - QD1   LEU   63   7.70 +/- 0.73   0.592% * 13.0243% (0.95  1.00   0.48   0.02) =   0.102%
          QB    SER  117 - QD1   LEU   63   7.91 +/- 0.67   0.428% *  0.3467% (0.61  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD1   LEU   63   8.87 +/- 0.82   0.247% *  0.5277% (0.92  1.00   0.02   0.02) =   0.002%
          HB    THR   94 - QD1   LEU   63   9.26 +/- 0.85   0.135% *  0.5516% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   63   8.44 +/- 0.31   0.225% *  0.3236% (0.57  1.00   0.02   1.47) =   0.001%
          HA    LYS+ 121 - QD1   LEU  104   7.92 +/- 1.31   0.411% *  0.1292% (0.23  1.00   0.02   0.02) =   0.001%
        T HA    PHE   60 - QD1   LEU   73  11.06 +/- 1.06   0.065% *  0.7736% (0.14 10.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   73  11.51 +/- 0.72   0.040% *  0.5516% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.18 +/- 0.63   0.040% *  0.3698% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  11.94 +/- 1.44   0.035% *  0.3698% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  10.46 +/- 1.29   0.069% *  0.1324% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  12.75 +/- 0.62   0.021% *  0.3698% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.22 +/- 0.98   0.080% *  0.0849% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  12.81 +/- 0.77   0.020% *  0.3236% (0.57  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.29 +/- 1.06   0.028% *  0.1894% (0.03 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.87 +/- 0.60   0.008% *  0.5703% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.86 +/- 0.90   0.007% *  0.5703% (1.00  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  15.12 +/- 0.94   0.006% *  0.4958% (0.87  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.00 +/- 1.24   0.020% *  0.1350% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.32 +/- 0.74   0.003% *  0.5407% (0.95  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.15 +/- 0.66   0.003% *  0.5277% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  16.31 +/- 0.76   0.004% *  0.3698% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  16.54 +/- 0.59   0.004% *  0.3467% (0.61  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.28 +/- 1.43   0.010% *  0.0792% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  14.66 +/- 1.73   0.009% *  0.0905% (0.16  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  20.19 +/- 0.55   0.001% *  0.4958% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  17.82 +/- 1.59   0.005% *  0.0905% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.06 +/- 0.97   0.001% *  0.1396% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  23.74 +/- 1.02   0.000% *  0.1214% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 2.33, residual support = 18.1:
        T HZ3   TRP   27 - QD1   LEU   73   3.87 +/- 1.69  90.022% * 98.4449% (0.49 10.00   2.33  18.09) =  99.978%  kept
          HZ    PHE   45 - QD1   LEU   73   7.21 +/- 0.55   7.465% *  0.1469% (0.73  1.00   0.02   0.02) =   0.012%
        T HZ3   TRP   27 - QD1   LEU   63  10.70 +/- 0.80   0.587% *  0.9844% (0.49 10.00   0.02   0.02) =   0.007%
          HZ    PHE   45 - QD1   LEU   63   9.98 +/- 0.78   1.456% *  0.1469% (0.73  1.00   0.02   0.02) =   0.002%
        T HZ3   TRP   27 - QD1   LEU  104  12.70 +/- 1.84   0.153% *  0.2410% (0.12 10.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  12.18 +/- 1.06   0.317% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 11 structures by 0.96 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.703, support = 1.17, residual support = 6.95:
          QD    PHE   60 - QD1   LEU   63   4.05 +/- 0.94  26.000% * 44.5451% (0.87   1.49  11.98) =  55.186%  kept
          QE    PHE   59 - QD1   LEU   63   3.12 +/- 1.40  71.446% * 12.7700% (0.49   0.76   0.58) =  43.473%  kept
          HN    LYS+  66 - QD1   LEU   63   6.29 +/- 0.20   0.703% * 39.6270% (0.95   1.22   6.08) =   1.327%  kept
          HN    PHE   59 - QD1   LEU   63   6.06 +/- 0.74   1.627% *  0.1207% (0.18   0.02   0.58) =   0.009%
          QD    PHE   60 - QD1   LEU   73   9.05 +/- 1.01   0.096% *  0.5978% (0.87   0.02   0.02) =   0.003%
          HN    LYS+  66 - QD1   LEU   73  12.72 +/- 0.69   0.010% *  0.6519% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.23 +/- 0.97   0.017% *  0.3626% (0.53   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU   73  11.82 +/- 2.25   0.015% *  0.3354% (0.49   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  10.19 +/- 1.27   0.039% *  0.0821% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.19 +/- 1.44   0.019% *  0.1596% (0.23   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.03 +/- 1.06   0.019% *  0.1463% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  17.61 +/- 0.89   0.002% *  0.3626% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  15.27 +/- 1.00   0.003% *  0.1207% (0.18   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.50 +/- 0.97   0.004% *  0.0295% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  21.12 +/- 1.60   0.001% *  0.0887% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.762, support = 6.29, residual support = 233.0:
          HN    LEU   63 - QD1   LEU   63   3.53 +/- 0.30  76.969% * 70.8423% (0.76   6.47 242.41) =  96.066%  kept
          HD21  ASN   28 - QD1   LEU   73   5.79 +/- 1.31   7.370% * 21.8385% (0.92   1.65   0.97) =   2.836%  kept
          QE    PHE   60 - QD1   LEU   63   5.57 +/- 1.14  11.458% *  5.3822% (0.20   1.90  11.98) =   1.087%  kept
          HZ2   TRP   87 - QD1   LEU   73   6.78 +/- 0.82   2.153% *  0.2189% (0.76   0.02   0.02) =   0.008%
          HN    ILE   56 - QD1   LEU   63   9.01 +/- 0.83   0.316% *  0.1853% (0.65   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   8.16 +/- 1.15   0.833% *  0.0567% (0.20   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   9.09 +/- 1.43   0.348% *  0.0796% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.14 +/- 0.79   0.055% *  0.2189% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  12.41 +/- 0.68   0.048% *  0.2189% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  10.95 +/- 0.77   0.104% *  0.0796% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  12.49 +/- 1.62   0.151% *  0.0536% (0.19   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.12 +/- 1.26   0.064% *  0.0536% (0.19   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  15.49 +/- 0.83   0.012% *  0.2644% (0.92   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.72 +/- 0.60   0.007% *  0.1853% (0.65   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  15.68 +/- 1.47   0.017% *  0.0647% (0.23   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  15.22 +/- 0.86   0.014% *  0.0796% (0.28   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.47 +/- 1.15   0.050% *  0.0139% (0.05   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  17.56 +/- 0.99   0.006% *  0.0796% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.38 +/- 0.91   0.013% *  0.0195% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  17.98 +/- 0.81   0.005% *  0.0454% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  18.05 +/- 1.60   0.008% *  0.0195% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.82 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.22  20.76) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.746, support = 2.95, residual support = 39.0:
        T QD    PHE   72 - HA    ALA   64   3.13 +/- 0.26  49.035% * 60.4788% (0.87 10.00   3.13  38.96) =  59.588%  kept
        T HZ    PHE   72 - HA    ALA   64   3.10 +/- 0.33  50.951% * 39.4733% (0.57 10.00   2.70  38.96) =  40.412%  kept
          QE    PHE   45 - HA    ALA   64  12.24 +/- 0.73   0.013% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 1.14, residual support = 4.2:
          HN    LEU   67 - HA    ALA   64   3.18 +/- 0.26  99.204% * 81.1032% (0.87   1.14   4.21) =  99.869%  kept
          QE    PHE   95 - HA    ALA   64   8.92 +/- 1.86   0.758% * 13.8123% (0.98   0.17   0.02) =   0.130%
          HE3   TRP   27 - HA    ALA   64  13.97 +/- 0.81   0.016% *  0.9269% (0.57   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  16.51 +/- 0.81   0.006% *  1.6227% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  15.85 +/- 0.88   0.009% *  1.0591% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  16.84 +/- 0.69   0.005% *  0.6145% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  22.07 +/- 1.64   0.001% *  0.8614% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.824, support = 2.43, residual support = 8.5:
          QG2   VAL   18 - QB    ALA   64   2.79 +/- 1.17  89.882% * 53.6486% (0.84   2.42   8.70) =  97.639%  kept
          QD2   LEU   73 - QB    ALA   64   6.01 +/- 0.55   2.256% * 36.3829% (0.38   3.65   0.31) =   1.662%  kept
          QD1   ILE   19 - QB    ALA   64   6.14 +/- 1.47   4.114% *  8.0332% (0.38   0.81   0.02) =   0.669%  kept
          QG2   THR   46 - QB    ALA   64   8.33 +/- 0.97   2.256% *  0.3852% (0.73   0.02   0.02) =   0.018%
          QG1   VAL   43 - QB    ALA   64   7.88 +/- 0.44   0.680% *  0.5200% (0.98   0.02   0.02) =   0.007%
          QG1   VAL   41 - QB    ALA   64   8.64 +/- 0.65   0.363% *  0.5258% (0.99   0.02   0.02) =   0.004%
          QD1   ILE   56 - QB    ALA   64   9.66 +/- 0.42   0.351% *  0.0929% (0.18   0.02   0.02) =   0.001%
          HG    LEU   31 - QB    ALA   64  12.63 +/- 0.92   0.032% *  0.2791% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  11.57 +/- 1.23   0.066% *  0.1323% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 3 structures by 0.40 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.898, support = 1.22, residual support = 6.16:
          QB    ALA   61 - QB    ALA   64   3.93 +/- 0.24  58.477% * 18.0895% (0.92   1.19   7.40) =  63.931%  kept
          HB3   LEU   67 - QB    ALA   64   5.18 +/- 0.90  17.288% * 20.6874% (0.99   1.27   4.21) =  21.614%  kept
          HG    LEU   67 - QB    ALA   64   5.57 +/- 1.14  12.054% *  6.7689% (0.28   1.48   4.21) =   4.931%  kept
          QG    LYS+  66 - QB    ALA   64   6.33 +/- 0.51   3.782% * 19.2847% (0.98   1.20   7.03) =   4.408%  kept
          HG12  ILE   19 - QB    ALA   64   6.43 +/- 1.45   6.346% *  8.5907% (0.65   0.81   0.02) =   3.295%  kept
          HG    LEU   73 - QB    ALA   64   7.96 +/- 0.74   1.179% * 25.4569% (0.87   1.78   0.31) =   1.814%  kept
          HG    LEU   40 - QB    ALA   64   9.09 +/- 1.02   0.541% *  0.1235% (0.38   0.02   0.02) =   0.004%
          HB3   LEU  115 - QB    ALA   64  10.68 +/- 0.72   0.155% *  0.1235% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - QB    ALA   64  12.39 +/- 1.13   0.063% *  0.2390% (0.73   0.02   0.02) =   0.001%
          HG    LEU   80 - QB    ALA   64  14.12 +/- 1.16   0.030% *  0.2515% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  16.80 +/- 1.03   0.011% *  0.2515% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  13.42 +/- 1.42   0.050% *  0.0508% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  14.47 +/- 0.90   0.024% *  0.0821% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.899, support = 1.85, residual support = 4.45:
          HB3   LEU   67 - HA    ALA   64   4.00 +/- 1.03  54.568% * 40.0563% (0.99   1.92   4.21) =  79.198%  kept
          HG    LEU   67 - HA    ALA   64   4.55 +/- 1.07  34.156% * 10.1658% (0.28   1.74   4.21) =  12.581%  kept
          QG    LYS+  66 - HA    ALA   64   6.42 +/- 0.51   5.013% * 33.1554% (0.98   1.61   7.03) =   6.022%  kept
          QB    ALA   61 - HA    ALA   64   6.42 +/- 0.22   4.135% * 14.5528% (0.92   0.75   7.40) =   2.180%  kept
          HG12  ILE   19 - HA    ALA   64   8.82 +/- 1.56   0.983% *  0.2720% (0.65   0.02   0.02) =   0.010%
          HG    LEU   73 - HA    ALA   64   9.98 +/- 0.86   0.333% *  0.3647% (0.87   0.02   0.31) =   0.004%
          HG    LEU   40 - HA    ALA   64   9.18 +/- 1.11   0.645% *  0.1578% (0.38   0.02   0.02) =   0.004%
          HB3   LEU  115 - HA    ALA   64  12.76 +/- 0.94   0.072% *  0.1578% (0.38   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ALA   64  15.43 +/- 1.17   0.022% *  0.3053% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  14.45 +/- 1.88   0.051% *  0.0649% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  18.23 +/- 1.34   0.008% *  0.3213% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  18.73 +/- 1.34   0.007% *  0.3213% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  18.65 +/- 1.14   0.007% *  0.1048% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.77, residual support = 39.0:
        T HB3   PHE   72 - QB    ALA   64   2.85 +/- 0.73  95.618% * 99.3598% (0.76 10.00   2.77  38.96) =  99.995%  kept
          HB2   ASP-  44 - QB    ALA   64   5.92 +/- 0.60   3.125% *  0.1128% (0.87  1.00   0.02   0.02) =   0.004%
          QG    GLU-  15 - QB    ALA   64   7.37 +/- 1.03   0.736% *  0.1230% (0.95  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QB    ALA   64   9.06 +/- 1.05   0.232% *  0.1086% (0.84  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QB    ALA   64   9.07 +/- 0.81   0.262% *  0.0443% (0.34  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  15.12 +/- 1.11   0.009% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  16.12 +/- 0.95   0.008% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.71 +/- 1.17   0.008% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  17.43 +/- 1.51   0.003% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.57, residual support = 7.4:
        T HA    ALA   61 - QB    ALA   64   2.85 +/- 0.40  99.323% * 99.8142% (1.00 10.00   2.57   7.40) =  99.999%  kept
          HD2   PRO   68 - QB    ALA   64   7.16 +/- 0.64   0.545% *  0.0923% (0.92  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA   64   9.72 +/- 0.43   0.073% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.78 +/- 0.41   0.047% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  13.77 +/- 0.96   0.013% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.84, residual support = 8.7:
          HA    VAL   18 - QB    ALA   64   3.11 +/- 0.88  98.632% * 92.8640% (0.90   1.84   8.70) =  99.993%  kept
          HA    VAL   70 - QB    ALA   64   7.30 +/- 0.72   1.050% *  0.4639% (0.41   0.02   0.02) =   0.005%
          HA    GLN  116 - QB    ALA   64  11.39 +/- 0.62   0.198% *  0.4639% (0.41   0.02   0.02) =   0.001%
          HA    SER   48 - QB    ALA   64  15.45 +/- 0.86   0.033% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  15.67 +/- 0.81   0.033% *  0.5937% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  14.58 +/- 1.13   0.017% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  15.65 +/- 1.00   0.012% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  15.82 +/- 0.94   0.012% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  19.08 +/- 0.67   0.008% *  0.8623% (0.76   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  19.10 +/- 0.83   0.006% *  1.0674% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 2 structures by 0.19 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 2.44:
        T HA    GLN   17 - QB    ALA   64   3.14 +/- 0.87  98.247% * 94.1624% (0.49 10.00   1.22   2.44) =  99.955%  kept
        T HA    VAL   42 - QB    ALA   64   7.45 +/- 0.44   1.273% *  3.1046% (0.98 10.00   0.02   0.02) =   0.043%
        T HA    PHE   55 - QB    ALA   64  13.50 +/- 0.92   0.069% *  2.1756% (0.69 10.00   0.02   0.02) =   0.002%
          HA    THR   46 - QB    ALA   64  10.85 +/- 0.77   0.296% *  0.1302% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   64  13.59 +/- 1.79   0.081% *  0.1189% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  14.92 +/- 0.94   0.017% *  0.1542% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  17.09 +/- 1.20   0.016% *  0.1542% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.7:
          HN    VAL   18 - QB    ALA   64   3.31 +/- 0.88  99.926% * 99.5979% (1.00   2.25   8.70) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  12.92 +/- 0.83   0.053% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  14.91 +/- 0.97   0.021% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 2 structures by 0.16 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 5.06, residual support = 39.0:
        T QD    PHE   72 - QB    ALA   64   2.43 +/- 0.26  95.625% * 85.7936% (0.87 10.00   5.06  38.96) =  99.256%  kept
          HZ    PHE   72 - QB    ALA   64   4.23 +/- 0.39   4.349% * 14.1385% (0.57  1.00   5.05  38.96) =   0.744%  kept
          QE    PHE   45 - QB    ALA   64   9.84 +/- 0.59   0.026% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.05 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.76) = 100.000%  kept
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.09, residual support = 163.5:
      O   HN    LYS+  65 - HA    LYS+  65   2.82 +/- 0.04  99.995% * 99.9887% (0.71  10.0   6.09 163.49) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  14.96 +/- 0.95   0.005% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2798 (8.65, 3.96, 58.29 ppm):
    6 chemical-shift based assignments, quality = 0.837, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65   6.80 +/- 1.36  67.354% * 34.8898% (0.87   0.02   0.02) =  95.466%  kept
          HN    SER  117 - HA    LYS+ 121   7.88 +/- 0.52  32.191% *  3.1809% (0.08   0.02   0.02) =   4.160%  kept
          HN    SER  117 - HA    LYS+  65  17.20 +/- 0.82   0.289% * 28.1870% (0.71   0.02   0.02) =   0.330%
          HN    GLY   16 - HA    LYS+ 121  19.09 +/- 0.94   0.137% *  3.9373% (0.10   0.02   0.02) =   0.022%
          HN    SER   82 - HA    LYS+  65  26.52 +/- 0.69   0.019% * 26.7825% (0.67   0.02   0.02) =   0.021%
          HN    SER   82 - HA    LYS+ 121  29.73 +/- 1.11   0.010% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.35 A violated in 20 structures by 2.85 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.73, residual support = 28.0:
          HN    LYS+  65 - QB    ALA   64   2.71 +/- 0.17 100.000% *100.0000% (0.31   4.73  28.01) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.06, residual support = 39.0:
          QE    PHE   72 - HA    ALA   64   2.58 +/- 0.20  99.999% * 99.3443% (0.65   4.06  38.96) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  18.20 +/- 0.77   0.001% *  0.6557% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.74, residual support = 3.75:
          HA    ASP-  62 - QB    LYS+  65   2.30 +/- 0.32  99.997% * 97.7677% (0.80   1.74   3.75) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.28 +/- 0.95   0.003% *  0.3126% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  18.54 +/- 1.04   0.000% *  0.7949% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  25.50 +/- 0.55   0.000% *  0.9082% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  22.81 +/- 0.93   0.000% *  0.2166% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.6, residual support = 163.5:
      O   HN    LYS+  65 - QB    LYS+  65   2.24 +/- 0.14 100.000% *100.0000% (0.76  10.0   6.60 163.49) = 100.000%  kept
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.89, residual support = 25.1:
          HN    LYS+  66 - QB    LYS+  65   3.06 +/- 0.17  99.331% * 98.6971% (0.53   5.89  25.06) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.51 +/- 0.54   0.505% *  0.6144% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.15 +/- 0.56   0.163% *  0.0862% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  23.43 +/- 0.57   0.001% *  0.6023% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.42, residual support = 163.5:
          HN    LYS+  65 - HG2   LYS+  65   2.80 +/- 0.55 100.000% *100.0000% (0.31   5.42 163.49) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 163.5:
      O T HA    LYS+  65 - HG3   LYS+  65   3.05 +/- 0.70  95.681% * 93.4743% (0.87  10.0 10.00   5.27 163.49) =  99.976%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.18 +/- 0.83   3.168% *  0.6392% (0.59   1.0 10.00   0.02  10.96) =   0.023%
          HA2   GLY   16 - HG3   LYS+  65   7.72 +/- 1.71   0.673% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG3   LYS+ 102  14.46 +/- 2.18   0.021% *  0.6024% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  18.02 +/- 1.43   0.005% *  0.8072% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  12.07 +/- 0.73   0.049% *  0.0612% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.70 +/- 0.91   0.258% *  0.0079% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  14.75 +/- 2.41   0.025% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.13 +/- 1.07   0.003% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  16.87 +/- 1.90   0.009% *  0.1187% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  19.52 +/- 0.93   0.002% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.05 +/- 1.44   0.019% *  0.0483% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.74 +/- 1.10   0.002% *  0.3107% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.58 +/- 1.33   0.005% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  23.56 +/- 1.12   0.001% *  0.7607% (0.71   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.25 +/- 1.60   0.021% *  0.0293% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.08 +/- 1.34   0.001% *  0.7402% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.65 +/- 1.38   0.010% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.45 +/- 0.57   0.014% *  0.0203% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.38 +/- 1.43   0.003% *  0.0935% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.74 +/- 2.33   0.002% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.52 +/- 1.55   0.002% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  24.18 +/- 1.41   0.001% *  0.1259% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  20.27 +/- 1.86   0.003% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.78 +/- 1.76   0.002% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  20.82 +/- 2.36   0.002% *  0.0567% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  23.00 +/- 2.04   0.001% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.23 +/- 1.46   0.004% *  0.0189% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  20.56 +/- 1.53   0.002% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  21.44 +/- 1.40   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  25.77 +/- 1.07   0.001% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  19.03 +/- 1.27   0.003% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  25.15 +/- 1.42   0.001% *  0.0602% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  24.56 +/- 1.43   0.001% *  0.0417% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.38 +/- 1.19   0.000% *  0.0697% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.62 +/- 0.92   0.001% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  19.88 +/- 0.98   0.002% *  0.0113% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.97 +/- 1.19   0.001% *  0.0163% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.53 +/- 1.14   0.000% *  0.0807% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.49 +/- 1.42   0.000% *  0.0383% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.26 +/- 1.26   0.000% *  0.0761% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.69 +/- 1.23   0.001% *  0.0232% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.09 +/- 1.73   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.75 +/- 1.59   0.000% *  0.0361% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.62, residual support = 22.0:
          HN    ASP- 105 - HG3   LYS+ 106   4.13 +/- 0.19  99.135% * 90.9769% (0.34   2.63  22.02) =  99.989%  kept
          HN    ASP- 105 - HG3   LYS+ 102  10.09 +/- 1.00   0.639% *  1.3439% (0.65   0.02   0.02) =   0.010%
          HN    ALA   88 - HG3   LYS+ 106  12.97 +/- 1.57   0.141% *  0.4900% (0.24   0.02   0.02) =   0.001%
          HN    ASP- 105 - HG3   LYS+  65  18.51 +/- 0.98   0.013% *  1.6514% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  18.74 +/- 0.65   0.012% *  1.4261% (0.69   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  18.90 +/- 2.36   0.013% *  0.9502% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.61 +/- 1.19   0.027% *  0.3182% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  23.11 +/- 1.47   0.004% *  1.0083% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  26.30 +/- 1.03   0.002% *  1.1676% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.61 +/- 0.77   0.013% *  0.1336% (0.06   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  29.31 +/- 0.97   0.001% *  0.2748% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  28.93 +/- 1.20   0.001% *  0.2590% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.03, residual support = 112.8:
      O   HN    LYS+  66 - HA    LYS+  66   2.88 +/- 0.03  99.905% * 99.6126% (0.53  10.0   5.03 112.81) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.72 +/- 0.57   0.040% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.76 +/- 1.13   0.056% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  28.43 +/- 0.86   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.0, residual support = 112.8:
      O   HN    LYS+  66 - QB    LYS+  66   2.21 +/- 0.13  99.818% * 99.6126% (0.53  10.0   5.00 112.81) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.38 +/- 0.56   0.038% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.75 +/- 1.15   0.143% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.15 +/- 0.93   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.523, support = 4.51, residual support = 112.2:
          HN    LYS+  66 - QG    LYS+  66   3.17 +/- 0.52  86.789% * 93.8656% (0.53   4.53 112.81) =  99.363%  kept
          HN    LYS+  66 - HG    LEU   67   5.28 +/- 1.04  11.824% *  4.3966% (0.04   2.75  10.12) =   0.634%  kept
          QD    PHE   60 - QG    LYS+  66   9.10 +/- 0.87   0.165% *  0.7609% (0.97   0.02   0.02) =   0.002%
          QE    PHE   59 - QG    LYS+  66   8.03 +/- 1.42   0.866% *  0.1067% (0.14   0.02   0.02) =   0.001%
          QD    PHE   60 - HG    LEU   67   9.70 +/- 1.47   0.198% *  0.0586% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  10.14 +/- 1.83   0.157% *  0.0082% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.20 +/- 1.03   0.000% *  0.7459% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  25.19 +/- 2.15   0.000% *  0.0574% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.7, residual support = 112.8:
          HN    LYS+  66 - QD    LYS+  66   4.02 +/- 0.47  94.442% * 98.1210% (0.53   4.70 112.81) =  99.994%  kept
          QD    PHE   60 - QD    LYS+  66  10.12 +/- 1.09   0.388% *  0.7663% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   9.00 +/- 1.53   1.719% *  0.1075% (0.14   0.02   0.02) =   0.002%
          QE    PHE   59 - HD2   LYS+ 121   7.89 +/- 1.43   3.221% *  0.0134% (0.02   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  13.26 +/- 1.42   0.111% *  0.0953% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  13.19 +/- 1.79   0.116% *  0.0520% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.29 +/- 1.19   0.001% *  0.7512% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  27.25 +/- 1.17   0.001% *  0.0934% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.475, support = 3.15, residual support = 57.6:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  91.042% * 46.3097% (0.47  10.0 10.00   2.94  57.59) =  90.140%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.65 +/- 0.25   8.871% * 51.9824% (0.53  10.0  1.00   5.08  57.59) =   9.860%  kept
        T HG    LEU   40 - HB2   LEU   67   7.98 +/- 1.78   0.022% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   6.38 +/- 0.58   0.050% *  0.0598% (0.61   1.0  1.00   0.02  10.12) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.69 +/- 0.69   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.19 +/- 1.62   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.20 +/- 0.95   0.002% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.25 +/- 1.85   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.11 +/- 1.52   0.004% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.43 +/- 1.25   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  17.68 +/- 2.17   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.06 +/- 1.37   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  20.22 +/- 1.38   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.31, residual support = 57.6:
      O T QD1   LEU   67 - HB2   LEU   67   2.33 +/- 0.23  99.506% * 98.6993% (0.70  10.0 10.00   3.31  57.59) =  99.997%  kept
        T QD2   LEU   40 - HB2   LEU   67   6.84 +/- 1.53   0.332% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HB2   LEU   67   7.20 +/- 0.48   0.151% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.28 +/- 1.29   0.004% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.34 +/- 1.19   0.004% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  15.50 +/- 0.67   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.30 +/- 1.25   0.002% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 57.6:
          HA    LEU   67 - QD2   LEU   67   2.58 +/- 0.43  99.998% * 98.8214% (0.53   2.76  57.59) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.01 +/- 1.51   0.002% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.12, residual support = 57.6:
      O   HG    LEU   67 - QD1   LEU   67   2.11 +/- 0.02  98.799% * 96.8242% (0.73  10.0  1.00   3.12  57.59) =  99.994%  kept
        T HG    LEU   40 - QD1   LEU   67   5.94 +/- 1.71   0.640% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.005%
          HB3   LEU   40 - QD1   LEU   67   5.99 +/- 1.43   0.458% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - QD1   LEU   67  11.02 +/- 1.92   0.009% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67   8.53 +/- 1.81   0.043% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  11.47 +/- 2.14   0.014% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.42 +/- 1.50   0.024% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  10.87 +/- 1.75   0.008% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  13.69 +/- 1.99   0.002% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.08 +/- 1.27   0.004% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.31, residual support = 57.6:
      O T HB2   LEU   67 - QD1   LEU   67   2.33 +/- 0.23  97.758% * 98.3333% (0.31  10.0 10.00   3.31  57.59) =  99.996%  kept
          HG2   PRO   68 - QD1   LEU   67   6.75 +/- 1.04   0.472% *  0.2941% (0.92   1.0  1.00   0.02  17.56) =   0.001%
          QB    GLU-  15 - QD1   LEU   67   7.61 +/- 1.90   1.273% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD1   LEU   67   9.39 +/- 1.98   0.239% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   LEU   67   8.91 +/- 1.84   0.235% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.04 +/- 1.73   0.009% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  12.37 +/- 1.91   0.007% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.36 +/- 0.96   0.004% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  15.51 +/- 1.95   0.002% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  19.27 +/- 1.34   0.000% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.27, residual support = 57.6:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  81.460% * 99.2738% (0.87  10.0  1.00   2.27  57.59) =  99.978%  kept
        T QD1   LEU   40 - HG    LEU   67   5.33 +/- 1.44   2.446% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.021%
          QD2   LEU   67 - QG    LYS+  66   5.24 +/- 1.56   5.208% *  0.0076% (0.07   1.0  1.00   0.02  10.12) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   3.88 +/- 1.32  10.597% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   6.94 +/- 1.92   0.242% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.24 +/- 1.17   0.047% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.408, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   7.19 +/- 2.04  89.459% * 12.0360% (0.22   0.02   0.02) =  70.047%  kept
          QG2   ILE   89 - QD1   LEU   67  13.32 +/- 0.98   5.093% * 52.9912% (0.98   0.02   0.02) =  17.557%  kept
          QG1   VAL   83 - QD1   LEU   67  13.63 +/- 1.17   5.448% * 34.9728% (0.65   0.02   0.02) =  12.396%  kept
    Distance limit 3.05 A violated in 20 structures by 3.93 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.917, support = 3.74, residual support = 35.2:
        T HZ    PHE   72 - QD1   LEU   67   2.66 +/- 0.85  77.069% * 75.7718% (0.97 10.00   3.96  35.25) =  91.324%  kept
        T QD    PHE   72 - QD1   LEU   67   4.11 +/- 1.00  22.916% * 24.2087% (0.41 10.00   1.50  35.25) =   8.676%  kept
          QE    PHE   45 - QD1   LEU   67  10.87 +/- 1.00   0.016% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.14, residual support = 35.2:
          QE    PHE   72 - QD1   LEU   67   2.81 +/- 0.51  99.725% * 99.2776% (0.80   4.14  35.25) =  99.999%  kept
          QD    PHE   95 - QD1   LEU   67   8.19 +/- 1.27   0.270% *  0.1850% (0.31   0.02   0.02) =   0.001%
          HN    ALA   47 - QD1   LEU   67  15.89 +/- 1.27   0.005% *  0.5375% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.568, support = 0.0198, residual support = 0.0198:
          HA    ALA  124 - HG    LEU   67  11.13 +/- 2.39  22.387% *  6.6623% (0.84  1.00   0.02   0.02) =  50.227%  kept
        T HA    LEU  115 - HG    LEU   67  13.41 +/- 1.74   5.281% * 15.7849% (0.20 10.00   0.02   0.02) =  28.072%  kept
        T HA    ARG+  54 - HG    LEU   67  19.50 +/- 1.59   0.522% * 57.9196% (0.73 10.00   0.02   0.02) =  10.187%  kept
          HA    ALA  124 - QG    LYS+  66   9.21 +/- 1.30  47.313% *  0.5129% (0.06  1.00   0.02   0.02) =   8.171%  kept
          HA    GLU-  36 - HG    LEU   67  19.14 +/- 1.12   0.544% *  7.5452% (0.95  1.00   0.02   0.02) =   1.381%  kept
          HA    LEU  115 - QG    LYS+  66  10.61 +/- 1.48  20.427% *  0.1215% (0.02  1.00   0.02   0.02) =   0.836%  kept
          HA    ASN   28 - HG    LEU   67  18.80 +/- 1.48   0.649% *  1.7758% (0.22  1.00   0.02   0.02) =   0.388%
          HA    LYS+  81 - HG    LEU   67  24.79 +/- 1.93   0.126% *  7.9057% (0.99  1.00   0.02   0.02) =   0.336%
          HA    ARG+  54 - QG    LYS+  66  15.47 +/- 1.36   2.161% *  0.4459% (0.06  1.00   0.02   0.02) =   0.324%
          HA    GLU-  36 - QG    LYS+  66  22.28 +/- 1.05   0.210% *  0.5808% (0.07  1.00   0.02   0.02) =   0.041%
          HA    LYS+  81 - QG    LYS+  66  24.53 +/- 1.08   0.118% *  0.6086% (0.08  1.00   0.02   0.02) =   0.024%
          HA    ASN   28 - QG    LYS+  66  21.41 +/- 0.89   0.261% *  0.1367% (0.02  1.00   0.02   0.02) =   0.012%
    Distance limit 3.84 A violated in 20 structures by 4.00 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.72, residual support = 57.6:
      O   HA    LEU   67 - HG    LEU   67   3.06 +/- 0.61  95.114% * 99.3233% (0.15  10.0   3.72  57.59) = 100.000%  kept
          HA    LEU   67 - QG    LYS+  66   5.63 +/- 0.67   4.879% *  0.0076% (0.01   1.0   0.02  10.12) =   0.000%
          HA    ASP-  76 - HG    LEU   67  19.37 +/- 1.90   0.004% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.12 +/- 0.84   0.003% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.325, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG    LEU   67  10.62 +/- 1.96  17.473% * 11.5851% (0.38   0.02   0.02) =  47.405%  kept
          QD    PHE   60 - HG    LEU   67   9.70 +/- 1.47  25.523% *  5.4059% (0.18   0.02   0.02) =  32.312%  kept
          HE3   TRP   27 - HG    LEU   67  16.12 +/- 1.70   1.035% * 26.7757% (0.87   0.02   0.02) =   6.492%  kept
          QE    PHE   95 - QG    LYS+  66   9.83 +/- 1.23  20.031% *  0.8918% (0.03   0.02   0.02) =   4.184%  kept
          QD    PHE   55 - HG    LEU   67  17.47 +/- 1.29   0.625% * 24.7171% (0.80   0.02   0.02) =   3.617%  kept
          QD    PHE   60 - QG    LYS+  66   9.10 +/- 0.87  30.506% *  0.4162% (0.01   0.02   0.02) =   2.973%  kept
          QD    PHE   55 - QG    LYS+  66  13.02 +/- 1.17   3.621% *  1.9027% (0.06   0.02   0.02) =   1.613%  kept
          HN    THR   23 - HG    LEU   67  19.36 +/- 2.27   0.366% * 10.5293% (0.34   0.02   0.02) =   0.902%  kept
          HE3   TRP   27 - QG    LYS+  66  18.22 +/- 0.90   0.474% *  2.0612% (0.07   0.02   0.02) =   0.229%
          HN    LYS+  81 - HG    LEU   67  25.19 +/- 2.15   0.067% * 13.8391% (0.45   0.02   0.02) =   0.217%
          HN    THR   23 - QG    LYS+  66  20.52 +/- 1.02   0.217% *  0.8106% (0.03   0.02   0.02) =   0.041%
          HN    LYS+  81 - QG    LYS+  66  25.20 +/- 1.03   0.064% *  1.0653% (0.03   0.02   0.02) =   0.016%
    Distance limit 3.63 A violated in 20 structures by 3.66 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.94, residual support = 57.6:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.883% * 95.9469% (0.29  10.0 10.00   2.94  57.59) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.24 +/- 0.82   0.086% *  0.2870% (0.87   1.0  1.00   0.02  17.56) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  10.86 +/- 1.41   0.003% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67   7.75 +/- 1.18   0.022% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67   9.76 +/- 1.33   0.006% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.43 +/- 1.54   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.01 +/- 1.31   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.73 +/- 1.15   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.34 +/- 1.74   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.21 +/- 0.98   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  19.38 +/- 1.25 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.54 A violated in 20 structures by 15.84 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 3.97, residual support = 57.6:
      O   HN    LEU   67 - HB3   LEU   67   3.22 +/- 0.64  99.807% * 99.4441% (0.54  10.0   3.97  57.59) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  11.07 +/- 1.98   0.180% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.37 +/- 1.05   0.005% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  18.93 +/- 1.35   0.003% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  19.01 +/- 1.19   0.003% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  25.31 +/- 2.18   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.04, residual support = 57.6:
      O   HA    LEU   67 - HB2   LEU   67   2.91 +/- 0.19  99.999% * 99.8354% (0.38  10.0   5.04  57.59) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.82 +/- 0.77   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.09, residual support = 35.2:
          QE    PHE   72 - HB2   LEU   67   2.68 +/- 0.96  99.891% * 99.0356% (0.58   3.09  35.25) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  10.78 +/- 1.27   0.102% *  0.2469% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.38 +/- 1.04   0.007% *  0.7175% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 2 structures by 0.18 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.79, residual support = 57.6:
      O   HN    LEU   67 - HB2   LEU   67   2.74 +/- 0.45  99.932% * 99.6033% (0.70  10.0   4.79  57.59) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.69 +/- 2.05   0.056% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  18.49 +/- 0.87   0.002% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  18.55 +/- 0.94   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  15.51 +/- 0.89   0.005% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  18.62 +/- 1.16   0.002% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.67 +/- 1.01   0.002% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  24.70 +/- 1.75   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.2:
        T HZ    PHE   72 - HB2   LEU   67   3.33 +/- 1.15  99.970% * 99.9822% (0.63 10.00   2.96  35.25) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  15.76 +/- 0.98   0.030% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 3 structures by 0.28 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 4.0, residual support = 64.7:
      O T HA    VAL   24 - HB    VAL   24   2.65 +/- 0.21  90.863% * 82.3820% (0.57  10.0 10.00   3.97  65.27) =  98.040%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.94 +/- 0.11   9.133% * 16.3856% (0.11  10.0  1.00   5.46  35.47) =   1.960%  kept
          HA    LYS+  38 - HB2   PRO   68  15.79 +/- 0.89   0.002% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  23.53 +/- 1.14   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.98 +/- 0.78   0.001% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  24.69 +/- 1.54   0.000% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.25, residual support = 65.3:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.985% * 98.0584% (0.63  10.0 10.00   3.25  65.27) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.79 +/- 0.68   0.004% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.27 +/- 0.22   0.008% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  21.95 +/- 1.43   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.72 +/- 1.65   0.001% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.37 +/- 1.19   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.51 +/- 1.39   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.25 +/- 0.85   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.52 +/- 0.82   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  23.64 +/- 2.84   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  22.79 +/- 1.16   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  28.74 +/- 1.30   0.000% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.339, support = 5.81, residual support = 31.8:
      O   HN    ASN   69 - HB2   PRO   68   3.59 +/- 0.61  48.231% * 67.6285% (0.34  10.0   5.85  31.29) =  78.309%  kept
          HN    GLU-  25 - HB    VAL   24   3.61 +/- 0.40  48.492% * 17.6879% (0.31   1.0   5.89  34.80) =  20.592%  kept
          HN    ASN   28 - HB    VAL   24   5.63 +/- 0.27   3.213% * 14.2507% (0.66   1.0   2.20  12.24) =   1.099%  kept
          HN    ASP-  44 - HB    VAL   24  11.55 +/- 1.21   0.058% *  0.0652% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.07 +/- 0.66   0.005% *  0.0801% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.54 +/- 1.06   0.001% *  0.1588% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.81 +/- 1.14   0.001% *  0.0551% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.67 +/- 1.17   0.000% *  0.0738% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.3:
      O   HN    VAL   24 - HB    VAL   24   2.24 +/- 0.23 100.000% * 99.8774% (0.33  10.0   4.68  65.27) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.36 +/- 1.19   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.01, residual support = 35.5:
      O   HD3   PRO   68 - HG2   PRO   68   2.66 +/- 0.29  99.997% * 99.5120% (0.57  10.0   3.01  35.47) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  16.52 +/- 1.00   0.002% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  21.57 +/- 0.85   0.000% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  23.74 +/- 1.47   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  25.97 +/- 2.10   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  25.65 +/- 1.34   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.9, residual support = 35.5:
      O   HD2   PRO   68 - HG2   PRO   68   2.53 +/- 0.28  99.986% * 99.8205% (0.63  10.0   2.90  35.47) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.50 +/- 1.32   0.011% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.96 +/- 2.09   0.002% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.84 +/- 1.09   0.001% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  23.70 +/- 1.21   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.744, support = 4.71, residual support = 55.9:
      O   HD3   PRO   68 - HG3   PRO   68   2.54 +/- 0.30  61.071% * 72.5798% (0.84  10.0  1.00   4.73  35.47) =  84.079%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.78 +/- 0.15  35.947% * 23.1357% (0.27  10.0 10.00   4.62 165.53) =  15.776%  kept
          QB    PHE   55 - HG2   ARG+  54   5.79 +/- 1.15   2.481% *  3.0748% (0.20   1.0  1.00   3.47   3.17) =   0.145%
          HB3   CYS   53 - HG2   ARG+  54   5.96 +/- 0.67   0.464% *  0.0227% (0.26   1.0  1.00   0.02  32.50) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.71 +/- 0.99   0.025% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.27 +/- 1.27   0.010% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.26 +/- 1.89   0.000% *  0.8670% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.64 +/- 1.09   0.001% *  0.0423% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.73 +/- 0.93   0.000% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  24.07 +/- 1.38   0.000% *  0.0852% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.90 +/- 1.38   0.000% *  0.0754% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  23.55 +/- 1.36   0.000% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 35.5:
      O   HD2   PRO   68 - HG3   PRO   68   2.65 +/- 0.28  99.737% * 99.5569% (0.92  10.0  1.00   4.62  35.47) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.76 +/- 0.87   0.239% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  12.81 +/- 1.17   0.011% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  16.16 +/- 1.08   0.003% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.46 +/- 1.28   0.008% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  24.17 +/- 1.02   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  19.03 +/- 0.89   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  24.05 +/- 1.47   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.82 +/- 1.27   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.95 +/- 0.85   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.08, residual support = 35.5:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.949% * 98.5022% (0.98  10.0 10.00   5.08  35.47) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.15 +/- 0.63   0.858% *  0.0070% (0.07   1.0  1.00   0.02  37.87) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.28 +/- 0.53   0.156% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.11 +/- 1.28   0.003% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   7.86 +/- 0.96   0.017% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.26 +/- 1.34   0.016% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  15.06 +/- 1.00   0.000% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  24.00 +/- 1.37   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.99 +/- 0.81   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  20.34 +/- 0.77   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  22.31 +/- 1.36   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.92 +/- 1.78   0.000% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.08, residual support = 35.5:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.994% * 99.4504% (0.92  10.0 10.00   5.08  35.47) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.93 +/- 1.02   0.002% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.11 +/- 1.28   0.003% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.99 +/- 0.81   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.22 +/- 1.07   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.96 +/- 0.87   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  24.00 +/- 1.37   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  22.81 +/- 1.13   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.75 +/- 0.91   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  28.45 +/- 0.81   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.9, residual support = 17.6:
      O   HA    LEU   67 - HD3   PRO   68   2.31 +/- 0.42  99.994% * 99.7870% (0.53  10.0   4.90  17.56) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  12.43 +/- 1.40   0.006% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.49 +/- 0.86   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  22.30 +/- 1.10   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.51, residual support = 17.6:
      O   HA    LEU   67 - HD2   PRO   68   2.40 +/- 0.36  99.996% * 99.8155% (0.53  10.0   4.51  17.56) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  22.42 +/- 1.17   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  15.14 +/- 1.21   0.002% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  16.10 +/- 0.51   0.002% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 59.6:
      O   HD21  ASN   69 - HB2   ASN   69   2.77 +/- 0.51  99.891% * 99.5864% (0.65  10.0   3.63  59.57) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69   9.74 +/- 1.07   0.106% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  17.30 +/- 0.65   0.003% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  23.39 +/- 1.11   0.000% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  26.41 +/- 0.88   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  29.51 +/- 0.93   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.38, residual support = 59.6:
      O   HN    ASN   69 - HB2   ASN   69   3.46 +/- 0.36  99.967% * 99.9414% (0.97  10.0   5.38  59.57) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.16 +/- 0.96   0.030% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  20.63 +/- 1.09   0.003% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 59.6:
      O   HD21  ASN   69 - HB3   ASN   69   3.18 +/- 0.54  99.716% * 99.7810% (0.99  10.0   3.60  59.57) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69   9.45 +/- 1.02   0.283% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  26.45 +/- 1.22   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  23.48 +/- 1.50   0.001% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.87, residual support = 59.6:
      O   HN    ASN   69 - HB3   ASN   69   3.08 +/- 0.47  99.983% * 99.9414% (0.97  10.0   4.87  59.57) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.54 +/- 0.98   0.015% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.82 +/- 1.16   0.002% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.07, residual support = 59.6:
          HD21  ASN   69 - HA    ASN   69   3.59 +/- 0.55  97.511% * 89.7804% (0.20   3.07  59.57) =  99.971%  kept
          HN    GLN   17 - HA    ASN   69   7.47 +/- 1.08   2.463% *  1.0084% (0.34   0.02   0.02) =   0.028%
          HN    ALA   61 - HA    ASN   69  15.81 +/- 0.44   0.017% *  2.3671% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  18.99 +/- 0.86   0.006% *  1.1095% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  22.88 +/- 1.09   0.002% *  2.9300% (0.99   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  28.45 +/- 0.90   0.000% *  2.1466% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  25.57 +/- 0.79   0.001% *  0.6581% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  17.48 +/- 2.14 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.48 A violated in 20 structures by 14.01 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.325, support = 0.0198, residual support = 0.0198:
          QG2   THR   77 - HA    SER   48   6.01 +/- 0.62  62.878% *  1.9923% (0.23  1.00   0.02   0.02) =  41.041%  kept
        T QB    ALA   88 - HB2   SER   82  10.56 +/- 0.34   2.225% * 37.0886% (0.42 10.00   0.02   0.02) =  27.030%  kept
          HG2   LYS+  99 - HA    VAL   70   8.24 +/- 0.77  11.355% *  3.6274% (0.41  1.00   0.02   0.02) =  13.494%  kept
          QG2   THR   77 - HB2   SER   82   9.17 +/- 0.59   5.547% *  4.2379% (0.48  1.00   0.02   0.02) =   7.701%  kept
          QG2   THR   23 - HB2   SER   82   8.07 +/- 0.86  13.330% *  0.9519% (0.11  1.00   0.02   0.02) =   4.157%  kept
          HG2   LYS+  38 - HA    VAL   70  10.92 +/- 0.87   2.200% *  4.6421% (0.53  1.00   0.02   0.02) =   3.347%  kept
        T QB    ALA   88 - HA    SER   48  14.07 +/- 1.18   0.405% * 17.4364% (0.20 10.00   0.02   0.02) =   2.312%  kept
          QG2   THR   77 - HA    VAL   70  17.87 +/- 0.41   0.093% *  8.7452% (0.99  1.00   0.02   0.02) =   0.266%
          HB2   LEU   31 - HA    VAL   70  13.20 +/- 0.77   0.596% *  1.3614% (0.15  1.00   0.02   0.02) =   0.266%
          QG2   THR   23 - HA    SER   48  12.93 +/- 1.40   0.727% *  0.4475% (0.05  1.00   0.02   0.02) =   0.107%
          QB    ALA   88 - HA    VAL   70  20.96 +/- 0.80   0.036% *  7.6536% (0.87  1.00   0.02   0.02) =   0.090%
          HB2   LEU   31 - HB2   SER   82  14.58 +/- 1.05   0.382% *  0.6597% (0.07  1.00   0.02   0.02) =   0.082%
          QG2   THR   23 - HA    VAL   70  17.38 +/- 0.57   0.109% *  1.9644% (0.22  1.00   0.02   0.02) =   0.070%
          HG2   LYS+ 111 - HA    VAL   70  24.64 +/- 1.59   0.014% *  1.7461% (0.20  1.00   0.02   0.02) =   0.008%
          HG2   LYS+  38 - HB2   SER   82  25.67 +/- 1.13   0.011% *  2.2495% (0.25  1.00   0.02   0.02) =   0.008%
          HG2   LYS+  99 - HB2   SER   82  24.94 +/- 1.27   0.013% *  1.7578% (0.20  1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HA    SER   48  20.22 +/- 0.90   0.044% *  0.3978% (0.05  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HB2   SER   82  26.11 +/- 1.31   0.010% *  0.8462% (0.10  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HA    SER   48  23.38 +/- 0.87   0.018% *  0.3102% (0.04  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HA    SER   48  28.86 +/- 0.87   0.005% *  0.8264% (0.09  1.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    SER   48  32.27 +/- 0.73   0.003% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 A violated in 20 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.14, residual support = 32.0:
      O   HN    LEU   71 - HA    VAL   70   2.24 +/- 0.01  99.991% * 99.7573% (0.87  10.0   5.14  31.98) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  11.20 +/- 1.02   0.008% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.95 +/- 0.69   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  22.01 +/- 0.87   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  22.44 +/- 1.28   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.25 +/- 0.93   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.01 +/- 1.20   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.58 +/- 1.15   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.96 +/- 0.39   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.67 +/- 1.25   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  21.63 +/- 1.39   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  28.13 +/- 1.06   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2854 (6.71, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 3.29, residual support = 35.1:
        T HZ    PHE   72 - HB    VAL   70   4.16 +/- 0.74  36.353% * 95.0245% (1.00 10.00   3.30  35.06) =  92.252%  kept
          QD    PHE   72 - HB    VAL   70   3.80 +/- 0.77  60.763% *  4.7738% (0.31  1.00   3.25  35.06) =   7.746%  kept
        T HZ    PHE   72 - QG    GLN   17   9.46 +/- 0.63   0.294% *  0.1765% (0.19 10.00   0.02   0.02) =   0.001%
          QD    PHE   72 - QG    GLN   17   6.66 +/- 0.71   2.525% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.20 +/- 0.66   0.040% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.54 +/- 0.71   0.024% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.3, residual support = 35.1:
          QE    PHE   72 - HB    VAL   70   2.40 +/- 0.65  99.700% * 98.5990% (0.73   3.30  35.06) = 100.000%  kept
          QE    PHE   72 - QG    GLN   17   7.78 +/- 0.60   0.251% *  0.1111% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  11.12 +/- 0.98   0.033% *  0.3090% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  13.12 +/- 0.78   0.012% *  0.0574% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.38 +/- 0.63   0.001% *  0.7788% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  17.09 +/- 1.00   0.003% *  0.1447% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.2:
      O   HN    VAL   70 - HB    VAL   70   2.71 +/- 0.38  99.743% * 99.9336% (0.76  10.0   4.31  81.17) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   8.04 +/- 1.20   0.255% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.51 +/- 0.47   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  18.39 +/- 0.97   0.001% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.82, residual support = 81.2:
          HN    VAL   70 - QG1   VAL   70   2.57 +/- 0.51  99.993% * 98.2756% (0.28   4.82  81.17) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.80 +/- 1.12   0.006% *  0.5503% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.62 +/- 1.09   0.001% *  1.1741% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.347, support = 1.26, residual support = 1.19:
          HN    VAL   42 - QG2   VAL   70   3.49 +/- 0.38  94.824% * 57.3136% (0.35   1.27   1.23) =  96.944%  kept
          HN    LEU   73 - QG2   VAL   70   6.01 +/- 0.55   4.110% * 41.3381% (0.35   0.91   0.02) =   3.030%  kept
          HN    ILE   19 - QG2   VAL   70   7.55 +/- 0.83   1.066% *  1.3483% (0.52   0.02   0.02) =   0.026%
    Distance limit 3.70 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.429, support = 3.97, residual support = 32.6:
        T HG    LEU   40 - QG2   VAL   70   2.97 +/- 0.76  38.360% * 68.0987% (0.54 10.00   3.98  32.71) =  66.310%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.80 +/- 0.78  46.829% * 28.0585% (0.22 10.00   3.99  32.71) =  33.353%  kept
          HG    LEU   67 - QG2   VAL   70   4.46 +/- 1.01   5.140% *  1.6140% (0.53  1.00   0.48   0.45) =   0.211%
          HB3   LEU   67 - QG2   VAL   70   3.98 +/- 1.00   9.313% *  0.5259% (0.15  1.00   0.55   0.45) =   0.124%
        T HG    LEU   73 - QG2   VAL   70   6.95 +/- 0.86   0.170% *  0.4415% (0.35 10.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   VAL   70   7.94 +/- 0.93   0.128% *  0.0306% (0.24  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QG2   VAL   70  12.48 +/- 1.02   0.004% *  0.6810% (0.54 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  12.99 +/- 1.15   0.003% *  0.4415% (0.35 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.39 +/- 0.71   0.011% *  0.0442% (0.35  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.18 +/- 0.91   0.009% *  0.0522% (0.41  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.13 +/- 0.68   0.032% *  0.0120% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.406, support = 2.57, residual support = 35.1:
        T QD    PHE   72 - QG2   VAL   70   2.91 +/- 0.72  69.237% * 53.1587% (0.43 10.00   1.84  35.06) =  71.943%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.53 +/- 0.78  30.671% * 46.7974% (0.35 10.00   4.44  35.06) =  28.056%  kept
          QE    PHE   45 - QG2   VAL   70   9.76 +/- 0.48   0.092% *  0.0439% (0.33  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 4.44, residual support = 35.1:
          QE    PHE   72 - QG2   VAL   70   2.31 +/- 0.59  99.992% * 99.6110% (0.54   4.44  35.06) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.37 +/- 0.67   0.006% *  0.1530% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  16.41 +/- 0.51   0.002% *  0.2360% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.42, residual support = 32.0:
          HN    LEU   71 - QG2   VAL   70   2.49 +/- 0.32  99.963% * 99.3829% (0.51   6.42  31.98) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  11.92 +/- 0.62   0.013% *  0.0910% (0.15   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  13.85 +/- 0.78   0.005% *  0.1722% (0.28   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70  11.02 +/- 0.84   0.017% *  0.0443% (0.07   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  16.02 +/- 0.73   0.002% *  0.3096% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.661, support = 2.0, residual support = 35.1:
        T HZ    PHE   72 - QG1   VAL   70   3.85 +/- 0.97  57.880% * 87.8105% (0.65 10.00   1.98  35.06) =  90.903%  kept
          QD    PHE   72 - QG1   VAL   70   4.18 +/- 0.97  42.010% * 12.1065% (0.80  1.00   2.21  35.06) =   9.097%  kept
          QE    PHE   45 - QG1   VAL   70  11.47 +/- 1.09   0.109% *  0.0831% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.24 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 2.75:
          HA    VAL   41 - HB2   LEU   71   3.79 +/- 0.77  99.880% * 95.8609% (0.92   0.75   2.75) =  99.998%  kept
          HA    HIS  122 - HB2   LEU   71  14.54 +/- 0.92   0.064% *  2.6725% (0.97   0.02   0.02) =   0.002%
          HA    PHE   45 - HB2   LEU   71  14.82 +/- 0.58   0.052% *  1.0393% (0.38   0.02   0.02) =   0.001%
          HA    MET   92 - HB2   LEU   71  23.55 +/- 0.96   0.003% *  0.4273% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 5 structures by 0.45 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.38, residual support = 139.4:
      O   HN    LEU   71 - HB2   LEU   71   2.42 +/- 0.29  99.997% * 99.8011% (0.95  10.0   6.38 139.45) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  16.15 +/- 0.81   0.002% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  19.13 +/- 0.72   0.001% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  21.25 +/- 0.68   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  23.58 +/- 0.74   0.000% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.3, residual support = 139.4:
      O   HN    LEU   71 - HB3   LEU   71   3.13 +/- 0.53  99.986% * 99.8011% (0.95  10.0   6.30 139.45) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  16.00 +/- 1.03   0.009% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  21.52 +/- 0.58   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  23.91 +/- 0.54   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.57 +/- 0.63   0.002% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.94, residual support = 139.4:
      O   HB2   LEU   71 - HG    LEU   71   2.47 +/- 0.08  98.551% * 99.3720% (0.97  10.0   4.94 139.45) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.55 +/- 1.39   0.232% *  0.0501% (0.49   1.0   0.02   2.75) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   5.97 +/- 1.11   0.863% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   7.17 +/- 1.05   0.256% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71   9.94 +/- 1.35   0.031% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.36 +/- 1.03   0.008% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  12.73 +/- 0.94   0.006% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  14.32 +/- 1.30   0.003% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  10.80 +/- 1.43   0.018% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  11.34 +/- 1.89   0.019% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  14.71 +/- 1.61   0.003% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.32 +/- 1.04   0.007% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  22.92 +/- 1.69   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.37 +/- 1.40   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.28 +/- 1.63   0.001% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.78 +/- 1.86   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  21.15 +/- 1.32   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  27.01 +/- 1.47   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  20.11 +/- 1.31   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  24.55 +/- 1.31   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.79, residual support = 139.4:
          HN    LEU   71 - QD2   LEU   71   3.79 +/- 0.27  99.807% * 99.7050% (0.87   6.79 139.45) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.29 +/- 0.86   0.180% *  0.0844% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.84 +/- 0.64   0.004% *  0.1648% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.63 +/- 0.81   0.008% *  0.0458% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.28, residual support = 19.7:
          HN    PHE   72 - QD2   LEU   71   3.09 +/- 0.35  99.982% * 99.5664% (0.73   5.28  19.70) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  13.37 +/- 0.94   0.018% *  0.4336% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.04, residual support = 39.1:
      O   HN    LEU   73 - HA    PHE   72   2.27 +/- 0.04  67.142% * 93.9456% (0.61  10.0   5.15  40.17) =  97.065%  kept
          HN    VAL   42 - HA    PHE   72   2.70 +/- 0.49  32.109% *  5.9399% (0.61   1.0   1.26   4.69) =   2.935%  kept
          HN    ILE   19 - HA    PHE   72   4.87 +/- 0.31   0.748% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  14.14 +/- 0.43   0.001% *  0.0939% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.14, residual support = 89.8:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.01  99.973% * 99.9786% (0.71  10.0   5.14  89.84) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  11.70 +/- 0.92   0.027% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.376, support = 2.48, residual support = 39.9:
          HG    LEU   73 - HA    PHE   72   4.24 +/- 0.97  68.916% * 69.3354% (0.37   2.51  40.17) =  98.593%  kept
          HB3   LEU   67 - HA    PHE   72   7.54 +/- 0.69   1.644% * 23.1303% (0.66   0.47  35.25) =   0.785%  kept
          HG12  ILE   19 - HA    PHE   72   6.51 +/- 1.82  26.040% *  1.0942% (0.74   0.02   0.02) =   0.588%  kept
          QB    ALA   61 - HA    PHE   72   9.09 +/- 0.73   0.575% *  1.0942% (0.74   0.02   0.02) =   0.013%
          HB3   LYS+  74 - HA    PHE   72   8.08 +/- 0.43   1.049% *  0.4661% (0.31   0.02   0.02) =   0.010%
          QB    LEU   98 - HA    PHE   72   7.75 +/- 0.76   1.484% *  0.2244% (0.15   0.02   0.02) =   0.007%
          QG    LYS+  66 - HA    PHE   72  11.25 +/- 0.75   0.143% *  0.7788% (0.52   0.02   0.19) =   0.002%
          HG    LEU   80 - HA    PHE   72  13.51 +/- 1.20   0.050% *  1.1313% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    PHE   72  14.01 +/- 0.82   0.038% *  0.6877% (0.46   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    PHE   72  16.00 +/- 0.85   0.016% *  1.1238% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  15.60 +/- 1.70   0.025% *  0.5083% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  15.52 +/- 1.12   0.021% *  0.4255% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.34 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.6, residual support = 40.2:
          QD2   LEU   73 - HB2   PHE   72   4.20 +/- 0.15  91.694% * 98.9718% (0.82   5.60  40.17) =  99.991%  kept
          QG1   VAL   43 - HB2   PHE   72   6.94 +/- 0.75   5.505% *  0.0714% (0.17   0.02   0.02) =   0.004%
          QG1   VAL   41 - HB2   PHE   72   7.95 +/- 0.80   2.458% *  0.1231% (0.28   0.02   0.02) =   0.003%
          HG    LEU   31 - HB2   PHE   72  11.67 +/- 0.66   0.206% *  0.3236% (0.75   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   PHE   72  13.06 +/- 1.05   0.113% *  0.3483% (0.81   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   PHE   72  17.02 +/- 1.27   0.023% *  0.1618% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 2 structures by 0.63 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.57, residual support = 39.0:
        T QB    ALA   64 - HB2   PHE   72   3.13 +/- 0.65  99.982% * 99.9825% (0.84 10.00   2.57  38.96) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.41 +/- 0.95   0.018% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.689, support = 5.7, residual support = 36.8:
          QD2   LEU   73 - HB3   PHE   72   4.41 +/- 0.27  34.335% * 93.7318% (0.72   6.18  40.17) =  91.054%  kept
          QG2   VAL   18 - HB3   PHE   72   3.95 +/- 0.41  61.728% *  5.1078% (0.33   0.75   2.24) =   8.920%  kept
          QG1   VAL   43 - HB3   PHE   72   7.09 +/- 0.68   2.284% *  0.2201% (0.53   0.02   0.02) =   0.014%
          QG1   VAL   41 - HB3   PHE   72   8.03 +/- 0.77   1.091% *  0.2906% (0.69   0.02   0.02) =   0.009%
          QG2   THR   46 - HB3   PHE   72   9.51 +/- 1.19   0.422% *  0.1009% (0.24   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  11.80 +/- 0.57   0.092% *  0.3433% (0.82   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  13.07 +/- 0.55   0.049% *  0.2055% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.77, residual support = 39.0:
        T QB    ALA   64 - HB3   PHE   72   2.85 +/- 0.73  99.967% * 99.9693% (0.63 10.00   2.77  38.96) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  12.34 +/- 0.73   0.033% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 1 structures by 0.10 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 0.75, residual support = 2.24:
        T HA    VAL   18 - HB2   PHE   72   2.94 +/- 0.52  98.988% * 97.7542% (0.47 10.00   0.75   2.24) =  99.997%  kept
          HA    VAL   70 - HB2   PHE   72   7.81 +/- 0.47   0.453% *  0.4513% (0.82  1.00   0.02  35.06) =   0.002%
          HA1   GLY   16 - HB2   PHE   72   7.62 +/- 1.21   0.510% *  0.1280% (0.23  1.00   0.02   0.02) =   0.001%
          HB2   SER   37 - HB2   PHE   72  13.35 +/- 0.84   0.017% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  15.70 +/- 0.99   0.009% *  0.4513% (0.82  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  14.56 +/- 0.71   0.010% *  0.3519% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.28 +/- 0.52   0.008% *  0.2793% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  19.88 +/- 1.13   0.002% *  0.2241% (0.41  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.98 +/- 0.94   0.003% *  0.0806% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 0.749, residual support = 2.24:
          HA    VAL   18 - HB3   PHE   72   2.69 +/- 0.58  99.340% * 44.7139% (0.15  1.00   0.75   2.24) =  99.928%  kept
          HA1   GLY   16 - HB3   PHE   72   7.38 +/- 1.26   0.365% *  4.9440% (0.63  1.00   0.02   0.02) =   0.041%
          HA    VAL   70 - HB3   PHE   72   7.73 +/- 0.57   0.265% *  4.1295% (0.53  1.00   0.02  35.06) =   0.025%
        T HA    LYS+  33 - HB3   PHE   72  14.61 +/- 0.65   0.007% * 21.0141% (0.27 10.00   0.02   0.02) =   0.003%
          HB2   SER   37 - HB3   PHE   72  13.33 +/- 0.67   0.011% *  6.6736% (0.85  1.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB3   PHE   72  15.40 +/- 0.52   0.005% * 13.4739% (0.17 10.00   0.02   0.02) =   0.002%
          HA    GLN  116 - HB3   PHE   72  15.63 +/- 0.83   0.005% *  4.1295% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  20.09 +/- 1.27   0.001% *  0.9214% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.63, residual support = 89.8:
      O T QD    PHE   72 - HB3   PHE   72   2.48 +/- 0.18  99.345% * 99.0530% (0.87  10.0 10.00   4.63  89.84) = 100.000%  kept
        T QE    PHE   45 - HB3   PHE   72   9.94 +/- 0.54   0.025% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.630% *  0.0306% (0.27   1.0  1.00   0.02  89.84) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.37, residual support = 89.8:
      O T QD    PHE   72 - HB2   PHE   72   2.46 +/- 0.19  99.372% * 99.8767% (0.83  10.0 10.00   4.37  89.84) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.600% *  0.0309% (0.26   1.0  1.00   0.02  89.84) =   0.000%
          QE    PHE   45 - HB2   PHE   72   9.76 +/- 1.19   0.028% *  0.0924% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.04, residual support = 89.8:
      O   HN    PHE   72 - HB2   PHE   72   2.93 +/- 0.60  99.980% * 99.9402% (0.79  10.0   5.04  89.84) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  13.73 +/- 1.01   0.020% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.872, support = 0.0198, residual support = 5.03:
          HG3   GLN   30 - HA    LEU   73   6.32 +/- 1.59  42.687% * 13.3017% (0.99   0.02   5.35) =  49.819%  kept
          HB2   GLN   30 - HA    LEU   73   5.99 +/- 0.65  46.859% * 10.7462% (0.80   0.02   5.35) =  44.182%  kept
          HB2   GLN   17 - HA    LEU   73   9.19 +/- 0.75   6.041% *  6.5324% (0.49   0.02   0.02) =   3.463%  kept
          QB    GLU-  15 - HA    LEU   73  10.10 +/- 1.00   2.712% *  6.5324% (0.49   0.02   0.02) =   1.555%  kept
          HB3   PRO   68 - HA    LEU   73  14.73 +/- 1.23   0.292% * 11.6413% (0.87   0.02   0.02) =   0.298%
          HB3   GLU-  25 - HA    LEU   73  12.49 +/- 0.76   0.779% *  4.1422% (0.31   0.02   0.02) =   0.283%
          HB3   GLU- 100 - HA    LEU   73  16.72 +/- 0.91   0.137% * 11.6413% (0.87   0.02   0.02) =   0.140%
          HB    ILE  119 - HA    LEU   73  17.39 +/- 0.69   0.100% * 10.7462% (0.80   0.02   0.02) =   0.094%
          HB    VAL  108 - HA    LEU   73  17.61 +/- 1.12   0.099% *  7.5980% (0.57   0.02   0.02) =   0.066%
          HB2   PRO   93 - HA    LEU   73  15.24 +/- 1.09   0.227% *  2.9879% (0.22   0.02   0.02) =   0.060%
          HB2   ARG+  54 - HA    LEU   73  20.19 +/- 0.92   0.042% *  6.5324% (0.49   0.02   0.02) =   0.024%
          HB2   LYS+ 111 - HA    LEU   73  22.10 +/- 1.05   0.025% *  7.5980% (0.57   0.02   0.02) =   0.016%
    Distance limit 3.63 A violated in 15 structures by 1.59 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.69, residual support = 41.4:
      O   HN    LYS+  74 - HA    LEU   73   2.36 +/- 0.08  99.985% * 99.6525% (0.69  10.0   5.69  41.43) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  10.46 +/- 0.29   0.014% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  21.01 +/- 2.18   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  22.22 +/- 0.67   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  19.17 +/- 0.66   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.792, support = 6.39, residual support = 168.7:
      O   HN    LEU   73 - HA    LEU   73   2.94 +/- 0.00  61.594% * 97.6685% (0.80  10.0   6.45 170.94) =  98.680%  kept
          HN    ILE   19 - HA    LEU   73   3.32 +/- 0.74  37.644% *  2.1361% (0.18   1.0   2.00   4.00) =   1.319%  kept
          HN    VAL   42 - HA    LEU   73   6.36 +/- 0.58   0.760% *  0.0977% (0.80   1.0   0.02   1.36) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.96 +/- 0.46   0.002% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.22, residual support = 170.9:
      O   HN    LEU   73 - HB2   LEU   73   3.26 +/- 0.48  97.538% * 99.6355% (0.38  10.0   6.22 170.94) =  99.997%  kept
          HN    VAL   42 - HB2   LEU   73   6.12 +/- 0.97   2.454% *  0.0996% (0.38   1.0   0.02   1.36) =   0.003%
          HN    LYS+ 106 - HB2   LEU   73  15.96 +/- 1.20   0.008% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.797, support = 1.99, residual support = 7.58:
          HA    VAL   43 - HB2   LEU   73   4.12 +/- 1.08  96.524% * 87.9400% (0.80  1.00   2.00   7.61) =  99.567%  kept
        T HA    HIS   22 - HB2   LEU   73   9.12 +/- 1.15   3.352% * 10.9834% (1.00 10.00   0.02   0.02) =   0.432%
          HA    ASN   69 - HB2   LEU   73  14.26 +/- 0.47   0.124% *  1.0766% (0.98  1.00   0.02   0.02) =   0.002%
    Distance limit 3.83 A violated in 8 structures by 0.65 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.47, residual support = 41.4:
          HN    LYS+  74 - HB3   LEU   73   3.20 +/- 0.36  99.972% * 97.5099% (0.25   5.47  41.43) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.08 +/- 0.42   0.025% *  0.5878% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  22.48 +/- 0.86   0.001% *  1.0927% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  22.49 +/- 2.53   0.001% *  0.8095% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.764, support = 5.54, residual support = 164.3:
          HN    LEU   73 - HG    LEU   73   3.18 +/- 0.78  53.502% * 70.1082% (0.80   5.68 170.94) =  91.420%  kept
          HN    ILE   19 - HG12  ILE   19   3.46 +/- 0.65  33.438% *  5.5760% (0.06   6.33 175.42) =   4.544%  kept
          HN    VAL   42 - HG    LEU   73   4.72 +/- 1.40   8.373% * 18.0658% (0.80   1.46   1.36) =   3.687%  kept
          HN    VAL   42 - HG    LEU   40   5.33 +/- 1.04   2.582% *  5.4866% (0.15   2.38   1.30) =   0.345%
          HN    LEU   73 - HG12  ILE   19   6.84 +/- 1.58   0.938% *  0.0806% (0.26   0.02   4.00) =   0.002%
          HN    ILE   19 - HG    LEU   73   6.11 +/- 0.70   0.815% *  0.0540% (0.18   0.02   4.00) =   0.001%
          HN    VAL   42 - HG12  ILE   19   8.67 +/- 1.89   0.206% *  0.0806% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   9.08 +/- 1.23   0.071% *  0.0460% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.73 +/- 0.52   0.011% *  0.0460% (0.15   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.32 +/- 1.24   0.017% *  0.0300% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.73 +/- 1.28   0.002% *  0.2468% (0.80   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.07 +/- 1.27   0.012% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.22 +/- 1.27   0.004% *  0.0300% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.11 +/- 0.68   0.016% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.92 +/- 1.10   0.007% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.44 +/- 1.83   0.000% *  0.0806% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.81 +/- 1.80   0.001% *  0.0300% (0.10   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.78 +/- 1.14   0.002% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.78 +/- 1.22   0.002% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.42 +/- 1.47   0.001% *  0.0015% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2894 (8.13, 1.44, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.315, support = 0.02, residual support = 0.02:
          HN    LEU   71 - HG    LEU   73   7.25 +/- 0.79  16.230% * 15.0226% (0.28   0.02   0.02) =  35.022%  kept
          HN    THR   26 - HG    LEU   73   9.46 +/- 1.33   3.383% * 45.1304% (0.84   0.02   0.02) =  21.928%  kept
          HN    LEU   71 - HG    LEU   40   5.69 +/- 0.80  52.004% *  2.8008% (0.05   0.02   0.02) =  20.921%  kept
          HN    THR   26 - HG    LEU   80   7.23 +/- 0.87  14.431% *  5.4916% (0.10   0.02   0.02) =  11.383%  kept
          HN    LEU   71 - HG12  ILE   19   8.05 +/- 1.68  13.102% *  4.9061% (0.09   0.02   0.02) =   9.233%  kept
          HN    THR   26 - HG12  ILE   19  11.81 +/- 0.52   0.681% * 14.7389% (0.27   0.02   0.02) =   1.442%  kept
          HN    THR   26 - HG    LEU   40  18.73 +/- 1.16   0.040% *  8.4139% (0.16   0.02   0.02) =   0.048%
          HN    LEU   71 - HG    LEU   80  17.57 +/- 1.07   0.070% *  1.8280% (0.03   0.02   0.02) =   0.018%
          HN    LEU   71 - HG    LEU  115  18.44 +/- 1.21   0.054% *  0.4165% (0.01   0.02   0.02) =   0.003%
          HN    THR   26 - HG    LEU  115  25.95 +/- 1.69   0.006% *  1.2512% (0.02   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 15 structures by 1.17 A, eliminated.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.374, support = 8.02, residual support = 170.2:
          HN    LEU   73 - QD2   LEU   73   2.59 +/- 0.43  86.419% * 96.1030% (0.38   8.06 170.94) =  99.541%  kept
          HN    VAL   42 - QD2   LEU   73   3.80 +/- 0.50  13.252% *  2.8843% (0.38   0.24   1.36) =   0.458%
          HN    LYS+ 106 - HG3   LYS+ 121   7.68 +/- 1.01   0.319% *  0.2162% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 106 - QD2   LEU   73  13.69 +/- 0.91   0.004% *  0.6339% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  14.49 +/- 0.87   0.004% *  0.0813% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  17.10 +/- 0.98   0.001% *  0.0813% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.8, residual support = 41.4:
          HN    LYS+  74 - QD2   LEU   73   3.99 +/- 0.17  99.840% * 96.7592% (0.25   5.80  41.43) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  13.10 +/- 0.78   0.089% *  0.5505% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QD2   LEU   73  17.04 +/- 2.26   0.025% *  0.7581% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.53 +/- 0.73   0.031% *  0.3489% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  19.33 +/- 1.20   0.009% *  1.0233% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  21.18 +/- 1.03   0.005% *  0.1139% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.84 +/- 1.34   0.001% *  0.1877% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  33.92 +/- 2.64   0.000% *  0.2585% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.8, residual support = 187.7:
      O   HN    LYS+  74 - HB2   LYS+  74   3.09 +/- 0.38  99.821% * 99.3064% (0.20  10.0   5.80 187.75) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74   9.84 +/- 0.95   0.177% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  20.72 +/- 0.81   0.001% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  23.70 +/- 2.61   0.001% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.37, residual support = 31.7:
          HN    VAL   75 - HB3   LYS+  74   4.15 +/- 0.22  99.532% * 98.5176% (0.41   4.37  31.68) =  99.996%  kept
          HN    ASP-  78 - HB3   LYS+  74  10.21 +/- 0.62   0.458% *  0.9517% (0.87   0.02   0.02) =   0.004%
          HN    LYS+ 112 - HB3   LYS+  74  21.49 +/- 0.76   0.006% *  0.3386% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  22.99 +/- 2.20   0.004% *  0.1921% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.57 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.64, residual support = 31.7:
          HN    VAL   75 - HG2   LYS+  74   3.31 +/- 0.82  99.836% * 99.5041% (0.84   5.64  31.68) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.88 +/- 1.54   0.156% *  0.4140% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  19.03 +/- 0.76   0.005% *  0.0377% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  21.02 +/- 1.07   0.003% *  0.0442% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.55 +/- 0.15  99.985% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  15.83 +/- 1.31   0.015% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 0 structures by 0.16 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 38.9:
      O   HN    ASP-  78 - HB3   ASP-  78   2.67 +/- 0.59  99.951% * 99.9053% (0.95  10.0   3.95  38.91) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.00 +/- 0.66   0.049% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.09, residual support = 38.9:
      O   HN    ASP-  78 - HB2   ASP-  78   2.70 +/- 0.50  99.949% * 99.9053% (0.95  10.0   5.09  38.91) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.91 +/- 0.58   0.051% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2904 (2.14, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 55.0:
      O T HB3   GLU-  79 - HA    GLU-  79   2.77 +/- 0.23  99.976% * 99.1581% (1.00  10.0 10.00   4.26  54.95) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.56 +/- 1.69   0.017% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  16.85 +/- 0.93   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  15.61 +/- 0.76   0.004% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.24 +/- 0.56   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  27.61 +/- 1.09   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.56, residual support = 55.0:
      O   QG    GLU-  79 - HB3   GLU-  79   2.36 +/- 0.16  99.993% * 99.5936% (0.98  10.0   3.56  54.95) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  13.08 +/- 1.40   0.004% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  17.59 +/- 1.29   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  16.43 +/- 1.70   0.001% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  21.13 +/- 0.93   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  20.13 +/- 1.03   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  26.19 +/- 1.29   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  20.70 +/- 0.90   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  24.20 +/- 1.41   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  23.65 +/- 1.83   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  27.52 +/- 1.52   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  28.37 +/- 1.31   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.962, support = 2.33, residual support = 5.6:
          HB2   ASP-  76 - HB3   GLU-  79   3.26 +/- 0.48  90.239% * 36.5754% (1.00  1.00   1.97   3.64) =  84.891%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.07 +/- 0.70   9.540% * 61.5700% (0.76  1.00   4.34  16.61) =  15.108%  kept
        T HB2   ASN   28 - HB3   GLU-  79  13.03 +/- 1.21   0.036% *  0.6504% (0.18 10.00   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HB2   GLN   90  11.25 +/- 2.20   0.139% *  0.1055% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB2   GLN   90  12.96 +/- 1.77   0.037% *  0.1377% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  17.64 +/- 1.81   0.005% *  0.0926% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  21.25 +/- 1.29   0.002% *  0.2417% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.72 +/- 0.64   0.000% *  0.3584% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.54 +/- 1.10   0.001% *  0.0735% (0.20  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  25.62 +/- 1.84   0.001% *  0.0344% (0.09  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  31.85 +/- 0.90   0.000% *  0.1332% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  25.81 +/- 1.34   0.000% *  0.0273% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 54.9:
      O T HA    GLU-  79 - HB3   GLU-  79   2.77 +/- 0.23  94.769% * 98.8585% (0.80  10.0 10.00   4.26  54.95) =  99.999%  kept
          HB    THR   77 - HB2   GLN   90   5.75 +/- 1.81   4.555% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   77 - HB3   GLU-  79   8.12 +/- 0.34   0.177% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   6.96 +/- 0.52   0.442% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.56 +/- 1.69   0.016% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  13.58 +/- 1.97   0.010% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.35 +/- 0.53   0.009% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.68 +/- 1.35   0.002% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.39 +/- 0.54   0.009% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  18.27 +/- 1.20   0.001% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.95 +/- 1.38   0.002% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.19 +/- 0.57   0.006% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.68 +/- 1.64   0.001% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.38 +/- 0.81   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  20.78 +/- 1.35   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.83 +/- 3.49   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.09 +/- 0.62   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.85 +/- 1.04   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.17 +/- 1.75   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.93 +/- 3.28   0.000% *  0.0102% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 90.0:
      O T HA    GLN   90 - HB2   GLN   90   2.42 +/- 0.16  98.198% * 96.0605% (0.27  10.0 10.00   3.96  90.03) =  99.998%  kept
          HA    ALA   91 - HB2   GLN   90   5.10 +/- 0.45   1.765% *  0.0644% (0.18   1.0  1.00   0.02  32.16) =   0.001%
        T HA    GLN   90 - HB3   GLU-  79  11.97 +/- 1.48   0.010% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  10.76 +/- 0.98   0.018% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.50 +/- 1.60   0.005% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  15.39 +/- 1.17   0.002% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  16.27 +/- 1.60   0.001% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.60 +/- 1.46   0.000% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.69 +/- 0.58   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.00 +/- 1.20   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.98 +/- 0.93   0.000% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  19.25 +/- 1.38   0.000% *  0.0368% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.35, residual support = 6.51:
          HB2   ASP-  76 - HB2   GLU-  79   2.97 +/- 0.63  85.970% * 36.2776% (1.00   1.84   3.64) =  77.917%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.88 +/- 0.80  14.010% * 63.0934% (0.76   4.17  16.61) =  22.083%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.24 +/- 0.95   0.017% *  0.0694% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.73 +/- 1.77   0.003% *  0.0988% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.63 +/- 1.06   0.000% *  0.3824% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.27 +/- 1.33   0.000% *  0.0784% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.39, residual support = 48.6:
          HN    LEU   80 - HB2   GLU-  79   2.59 +/- 0.75  99.955% * 98.5199% (0.61   5.39  48.59) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.73 +/- 0.70   0.036% *  0.2934% (0.49   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.23 +/- 0.87   0.002% *  0.5228% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  16.05 +/- 1.27   0.005% *  0.2262% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  19.20 +/- 0.84   0.001% *  0.4377% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.52, residual support = 48.6:
          HN    LEU   80 - HB3   GLU-  79   2.68 +/- 0.60  99.509% * 97.8980% (0.61   5.52  48.59) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   7.84 +/- 0.85   0.395% *  0.1058% (0.18   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.83 +/- 0.54   0.034% *  0.2847% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  11.71 +/- 1.70   0.033% *  0.1318% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  12.47 +/- 1.44   0.021% *  0.0816% (0.14   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.10 +/- 0.98   0.002% *  0.5074% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  16.47 +/- 1.14   0.004% *  0.2195% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  19.14 +/- 0.88   0.001% *  0.4248% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  24.52 +/- 1.24   0.000% *  0.1885% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  26.01 +/- 0.99   0.000% *  0.1578% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 90.0:
      O   HN    GLN   90 - HB2   GLN   90   3.96 +/- 0.18  98.980% * 98.6230% (0.23  10.0   5.59  90.03) =  99.999%  kept
          HE1   HIS   22 - HB3   GLU-  79  11.08 +/- 1.57   0.610% *  0.0675% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB2   GLN   90  11.74 +/- 1.59   0.255% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB3   GLU-  79  12.64 +/- 1.53   0.136% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  19.48 +/- 0.55   0.007% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  22.86 +/- 2.13   0.003% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  21.68 +/- 1.79   0.004% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  23.50 +/- 2.85   0.004% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.11, residual support = 48.6:
          HN    LEU   80 - QG    GLU-  79   3.46 +/- 0.58  99.785% * 98.4390% (0.61   5.11  48.59) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.34 +/- 0.51   0.171% *  0.3094% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  15.11 +/- 0.75   0.019% *  0.5514% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.12 +/- 0.62   0.009% *  0.4616% (0.73   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  16.05 +/- 1.38   0.016% *  0.2386% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.46, residual support = 48.6:
      O   HN    LEU   80 - HA    GLU-  79   3.60 +/- 0.09  99.803% * 99.2120% (0.28  10.0   5.46  48.59) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79  10.25 +/- 0.20   0.189% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  18.94 +/- 0.66   0.005% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  21.25 +/- 0.60   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.591, support = 4.32, residual support = 80.5:
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  73.649% * 28.0259% (0.34  10.0  1.00   3.72  80.53) =  52.571%  kept
      O   HB2   LEU   80 - QD2   LEU   80   2.65 +/- 0.44  26.129% * 71.2691% (0.87  10.0  1.00   4.98  80.53) =  47.428%  kept
        T HB3   LEU   73 - QD2   LEU   80   6.91 +/- 1.78   0.139% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   80   7.46 +/- 1.66   0.068% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  10.92 +/- 1.90   0.005% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  11.87 +/- 1.79   0.003% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.25 +/- 1.77   0.002% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.34 +/- 1.37   0.002% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  12.80 +/- 1.38   0.002% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.50 +/- 1.13   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.20 +/- 2.13   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.31 +/- 1.96   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  17.36 +/- 2.78   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  18.03 +/- 1.61   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.60 +/- 2.00   0.000% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.01, residual support = 44.3:
          HA    LEU   80 - QD2   LEU   80   3.13 +/- 0.92  42.496% * 48.3710% (0.87   6.11  80.53) =  51.503%  kept
          HA    THR   23 - QD2   LEU   80   3.19 +/- 0.77  52.847% * 35.2307% (0.99   3.90   5.86) =  46.649%  kept
          HB    THR   23 - QD2   LEU   80   4.57 +/- 0.80   4.561% * 16.1705% (0.73   2.44   5.86) =   1.848%  kept
          HA    ASP-  78 - QD2   LEU   80   8.05 +/- 0.55   0.094% *  0.1461% (0.80   0.02   2.44) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  16.95 +/- 1.97   0.002% *  0.0818% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.79, residual support = 14.2:
          HE3   TRP   27 - QD2   LEU   80   4.35 +/- 2.30  47.316% * 46.1823% (0.92   3.20   8.61) =  60.602%  kept
          HN    LYS+  81 - QD2   LEU   80   4.89 +/- 0.95  27.746% * 32.5389% (0.38   5.54  32.56) =  25.038%  kept
          HN    THR   23 - QD2   LEU   80   4.59 +/- 1.06  24.863% * 20.8248% (0.41   3.24   5.86) =  14.360%  kept
          QE    PHE   95 - QD2   LEU   80  11.36 +/- 1.46   0.066% *  0.1403% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  17.66 +/- 1.49   0.005% *  0.2714% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  17.53 +/- 1.83   0.004% *  0.0423% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.95, residual support = 11.1:
          HN    VAL   24 - QD2   LEU   80   2.75 +/- 0.60  99.916% * 99.5132% (0.31   2.95  11.11) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80  10.09 +/- 1.89   0.084% *  0.4868% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.304, support = 3.52, residual support = 23.4:
          HN    LYS+  81 - QD1   LEU   80   4.28 +/- 0.55  32.916% * 60.8392% (0.24   4.97  32.56) =  64.093%  kept
          HN    THR   23 - QD1   LEU   80   4.21 +/- 1.11  43.292% * 14.4705% (0.27   1.08   5.86) =  20.050%  kept
          HE3   TRP   27 - QD1   LEU   80   5.30 +/- 1.82  21.934% * 22.5636% (0.60   0.75   8.61) =  15.840%  kept
          HE3   TRP   27 - QD2   LEU   98   7.00 +/- 0.52   1.224% *  0.3449% (0.34   0.02   0.02) =   0.014%
          QE    PHE   95 - QD2   LEU   98   9.00 +/- 1.74   0.446% *  0.1675% (0.17   0.02   0.02) =   0.002%
          QE    PHE   95 - QD1   LEU   80  11.44 +/- 1.25   0.070% *  0.2922% (0.29   0.02   0.02) =   0.001%
          HN    THR   23 - QD2   LEU   98  12.11 +/- 0.84   0.044% *  0.1536% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  17.32 +/- 1.45   0.006% *  0.5654% (0.56   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  14.03 +/- 1.07   0.018% *  0.1402% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  16.71 +/- 1.07   0.006% *  0.3241% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  12.45 +/- 1.02   0.040% *  0.0506% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  17.81 +/- 1.26   0.004% *  0.0882% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 4.94, residual support = 101.8:
          HN    LYS+  81 - QG    LYS+  81   2.80 +/- 0.45  99.837% * 98.5593% (0.87   4.94 101.80) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33  11.64 +/- 2.01   0.076% *  0.0988% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.42 +/- 1.49   0.032% *  0.2064% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.59 +/- 0.71   0.008% *  0.2422% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  12.72 +/- 1.33   0.020% *  0.0533% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  16.55 +/- 1.62   0.004% *  0.1160% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.74 +/- 1.48   0.003% *  0.1728% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.66 +/- 1.38   0.008% *  0.0454% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.05 +/- 0.94   0.004% *  0.0380% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.17 +/- 0.83   0.001% *  0.1912% (0.42   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.39 +/- 1.66   0.001% *  0.0879% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  18.29 +/- 1.59   0.002% *  0.0298% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  17.85 +/- 1.17   0.003% *  0.0137% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  23.80 +/- 0.88   0.000% *  0.0623% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.12 +/- 1.57   0.000% *  0.0827% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 0.745, residual support = 1.49:
          HN    GLU-  79 - QG    LYS+  81   4.55 +/- 0.65  97.835% * 93.8721% (0.65   0.75   1.49) =  99.989%  kept
          HN    VAL   70 - HG2   LYS+  33  12.11 +/- 1.68   0.429% *  0.7663% (0.20   0.02   0.02) =   0.004%
          HN    THR   94 - QG    LYS+  81  12.52 +/- 0.93   0.309% *  0.9707% (0.25   0.02   0.02) =   0.003%
          HN    THR   94 - HG2   LYS+ 106  10.10 +/- 0.99   1.342% *  0.2136% (0.05   0.02   0.02) =   0.003%
          HN    GLU-  79 - HG2   LYS+  33  20.91 +/- 0.78   0.015% *  1.2058% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - HG2   LYS+ 106  18.24 +/- 0.90   0.033% *  0.3521% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.60 +/- 1.29   0.021% *  0.5541% (0.14   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  24.23 +/- 0.62   0.005% *  1.6005% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  22.19 +/- 1.25   0.010% *  0.4648% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 7 structures by 0.84 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.22, residual support = 101.8:
      O   HN    LYS+  81 - QB    LYS+  81   2.20 +/- 0.19  99.613% * 99.1682% (0.38  10.0   5.22 101.80) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   6.16 +/- 0.68   0.347% *  0.0263% (0.10   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  11.41 +/- 1.49   0.008% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.73 +/- 0.62   0.008% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52  10.51 +/- 2.43   0.022% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  15.17 +/- 1.10   0.001% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  19.71 +/- 1.36   0.000% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  21.09 +/- 0.85   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.92 +/- 1.06   0.000% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  24.51 +/- 0.80   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  22.17 +/- 1.25   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  22.43 +/- 0.66   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.31, residual support = 101.8:
      O   HN    LYS+  81 - HA    LYS+  81   2.82 +/- 0.04  99.954% * 99.8291% (0.87  10.0   5.31 101.80) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  11.08 +/- 1.56   0.040% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.19 +/- 0.73   0.004% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.12 +/- 1.35   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  25.18 +/- 0.89   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.775, support = 2.46, residual support = 11.5:
          HA    ASP-  78 - QG    LYS+  81   3.69 +/- 0.74  75.164% * 37.1566% (0.98   1.16   0.76) =  66.137%  kept
          HA    LEU   80 - QG    LYS+  81   4.78 +/- 0.56  23.461% * 60.9330% (0.38   4.98  32.56) =  33.854%  kept
          HA    THR   23 - QG    LYS+  81   8.75 +/- 0.76   0.488% *  0.4981% (0.76   0.02   0.02) =   0.006%
          HB    THR   23 - QG    LYS+  81   9.20 +/- 1.65   0.601% *  0.1625% (0.25   0.02   0.02) =   0.002%
          HA    PHE   45 - QG    LYS+  81  10.05 +/- 0.66   0.180% *  0.1006% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.14 +/- 0.63   0.017% *  0.2385% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  15.81 +/- 1.36   0.015% *  0.0778% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  12.71 +/- 1.16   0.050% *  0.0221% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  18.86 +/- 0.93   0.004% *  0.1171% (0.18   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  19.66 +/- 1.83   0.004% *  0.1096% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  20.65 +/- 1.27   0.002% *  0.1406% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  24.27 +/- 0.80   0.001% *  0.3059% (0.47   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  18.25 +/- 1.00   0.005% *  0.0481% (0.07   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  18.75 +/- 1.85   0.005% *  0.0538% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  21.69 +/- 1.83   0.002% *  0.0358% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.41, residual support = 33.3:
      O   HN    SER   82 - HB3   SER   82   2.99 +/- 0.35  99.999% * 99.5254% (0.41  10.0   3.41  33.32) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  24.96 +/- 1.23   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  28.03 +/- 1.02   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2927 (6.62, 3.99, 61.93 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 3.33, residual support = 15.3:
      O   HN    TRP   49 - HA    SER   48   3.56 +/- 0.06  35.537% * 85.5380% (0.40  10.0   3.24  14.86) =  84.200%  kept
          HN    VAL   83 - HB2   SER   82   3.38 +/- 0.26  49.994% * 10.4125% (0.24   1.0   4.10  19.47) =  14.419%  kept
          HN    CYS   50 - HA    SER   48   4.20 +/- 0.32  14.349% *  3.4736% (0.36   1.0   0.90   0.02) =   1.381%  kept
          HE22  GLN   30 - HA    VAL   70   9.63 +/- 0.63   0.100% *  0.0241% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  17.58 +/- 1.03   0.003% *  0.1558% (0.72   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.15 +/- 1.31   0.011% *  0.0279% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  18.47 +/- 0.90   0.002% *  0.1400% (0.65   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  16.94 +/- 1.21   0.003% *  0.0695% (0.32   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.63 +/- 0.73   0.001% *  0.0382% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  25.52 +/- 0.47   0.000% *  0.0486% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  21.82 +/- 0.86   0.001% *  0.0176% (0.08   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  26.91 +/- 0.43   0.000% *  0.0541% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.01, residual support = 33.3:
      O   HN    SER   82 - HB2   SER   82   2.30 +/- 0.44  99.074% * 99.0159% (0.39  10.0   4.01  33.32) =  99.999%  kept
          HN    GLY   16 - HA    VAL   70   6.71 +/- 1.53   0.918% *  0.0820% (0.32   1.0   0.02   0.02) =   0.001%
          HN    SER   82 - HA    SER   48  13.82 +/- 1.46   0.006% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.04 +/- 0.83   0.001% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  25.70 +/- 1.14   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  23.68 +/- 1.31   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.82 +/- 0.78   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  28.94 +/- 0.91   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.15 +/- 0.82   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.35, residual support = 42.6:
          HN    ALA   84 - HB    VAL   83   3.23 +/- 0.26  99.989% * 98.8170% (0.44   5.35  42.64) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  17.65 +/- 1.80   0.006% *  0.6807% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  19.72 +/- 1.27   0.002% *  0.3694% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  19.22 +/- 0.72   0.003% *  0.1329% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 86.8:
      O   HN    VAL   83 - HB    VAL   83   2.32 +/- 0.52  99.995% * 99.8243% (0.65  10.0   4.77  86.78) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.58 +/- 0.77   0.002% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  15.27 +/- 0.87   0.002% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.941, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   87 - HA    ALA   84   7.46 +/- 0.60  85.545% * 31.7530% (0.96   0.02   0.02) =  89.148%  kept
          HD21  ASN   28 - HA    ALA   84  11.50 +/- 1.26   6.891% * 30.7120% (0.93   0.02   0.02) =   6.945%  kept
          QE    PHE   60 - HA    ALA   84  12.67 +/- 1.64   6.463% * 16.7431% (0.51   0.02   0.02) =   3.552%  kept
          HN    ILE   56 - HA    ALA   84  16.82 +/- 0.71   0.757% *  8.8482% (0.27   0.02   0.02) =   0.220%
          HN    LEU   63 - HA    ALA   84  19.04 +/- 0.64   0.344% * 11.9438% (0.36   0.02   0.02) =   0.135%
    Distance limit 3.42 A violated in 20 structures by 3.85 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.438, residual support = 0.696:
          QE    PHE   45 - HA    ALA   84   3.78 +/- 1.02  99.928% * 93.0034% (0.81   0.44   0.70) =  99.997%  kept
          QD    PHE   72 - HA    ALA   84  14.96 +/- 0.56   0.057% *  4.9065% (0.93   0.02   0.02) =   0.003%
          HZ    PHE   72 - HA    ALA   84  18.89 +/- 0.83   0.015% *  2.0901% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 3 structures by 0.35 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.39, residual support = 11.9:
          HB    ILE   89 - HA    ALA   84   2.26 +/- 0.33  99.998% * 98.4824% (0.91   1.39  11.94) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  14.67 +/- 1.27   0.002% *  0.6707% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  19.96 +/- 1.16   0.000% *  0.8470% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.746, support = 3.27, residual support = 31.5:
          QG2   VAL   83 - HA    ALA   84   3.39 +/- 0.47  64.582% * 48.8188% (0.66   3.56  42.64) =  63.574%  kept
          QD1   ILE   89 - HA    ALA   84   3.79 +/- 0.42  35.365% * 51.0815% (0.89   2.77  11.94) =  36.426%  kept
          QD2   LEU   31 - HA    ALA   84  11.69 +/- 1.05   0.053% *  0.0997% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.82, residual support = 11.9:
          HG13  ILE   89 - HA    ALA   84   2.88 +/- 1.38 100.000% *100.0000% (0.55   2.82  11.94) = 100.000%  kept
    Distance limit 3.74 A violated in 4 structures by 0.35 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.738, support = 3.76, residual support = 32.5:
          QG2   VAL   83 - QB    ALA   84   3.79 +/- 0.54  70.507% * 45.4866% (0.66  1.00   3.91  42.64) =  67.058%  kept
          QD1   ILE   89 - QB    ALA   84   4.52 +/- 0.38  29.353% * 53.6699% (0.89  1.00   3.44  11.94) =  32.940%  kept
        T QD2   LEU   31 - QB    ALA   84  10.94 +/- 0.76   0.140% *  0.8435% (0.24 10.00   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.45, residual support = 11.9:
          HG13  ILE   89 - QB    ALA   84   4.04 +/- 0.81 100.000% *100.0000% (0.55   3.45  11.94) = 100.000%  kept
    Distance limit 3.67 A violated in 5 structures by 0.45 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.258, residual support = 0.696:
          QD    PHE   45 - QB    ALA   84   4.30 +/- 0.69  99.975% * 97.2276% (0.87   0.26   0.70) = 100.000%  kept
          HD2   HIS  122 - QB    ALA   84  18.37 +/- 1.14   0.019% *  1.4739% (0.17   0.02   0.02) =   0.000%
          HE22  GLN  116 - QB    ALA   84  22.45 +/- 1.47   0.006% *  1.2985% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 4 structures by 0.55 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.626, support = 0.0199, residual support = 0.0199:
          HN    TRP   49 - QB    ALA   84   9.65 +/- 0.82  91.074% * 28.9138% (0.59   0.02   0.02) =  86.854%  kept
          HE22  GLN   30 - QB    ALA   84  14.81 +/- 0.76   8.350% * 46.0056% (0.93   0.02   0.02) =  12.670%  kept
          HD22  ASN   69 - QB    ALA   84  23.01 +/- 1.14   0.576% * 25.0806% (0.51   0.02   0.02) =   0.476%
    Distance limit 4.10 A violated in 20 structures by 5.40 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.1:
      O   HN    SER   85 - QB    SER   85   2.14 +/- 0.05  99.983% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    SER   85 - QB    SER   48  11.88 +/- 1.34   0.005% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  12.68 +/- 0.45   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  10.86 +/- 0.71   0.007% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  17.64 +/- 1.13   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.17 +/- 1.18   0.002% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  19.87 +/- 1.00   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.80 +/- 0.83   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.37 +/- 1.25   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.79 +/- 0.77   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.90 +/- 0.76   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.93 +/- 0.70   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   3.02 +/- 0.10  99.900% * 97.6196% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.47 +/- 0.78   0.006% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  16.29 +/- 0.88   0.004% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  13.61 +/- 1.28   0.015% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.41 +/- 0.53   0.065% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.92 +/- 0.95   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  19.92 +/- 0.86   0.001% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.55 +/- 1.18   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  22.23 +/- 0.83   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  22.83 +/- 1.73   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  17.99 +/- 1.13   0.002% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.44 +/- 0.63   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.18 +/- 0.69   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.01 +/- 1.04   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.31 +/- 1.27   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  23.44 +/- 0.85   0.000% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  26.14 +/- 1.15   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  25.61 +/- 0.99   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.87, residual support = 15.9:
      O   HN    SER  117 - QB    SER  117   2.15 +/- 0.08 100.000% * 98.5738% (0.12  10.0   2.87  15.91) = 100.000%  kept
          HN    SER  117 - QB    SER   85  23.76 +/- 1.23   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  24.94 +/- 0.87   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  22.28 +/- 1.35   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.09 +/- 0.74   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  23.00 +/- 0.70   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HN    SER   85 - HA    SER   85   2.82 +/- 0.02  99.983% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  12.22 +/- 0.57   0.016% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  20.36 +/- 1.27   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  22.42 +/- 1.14   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.7:
      O   HN    ASP-  86 - HB3   ASP-  86   2.84 +/- 0.62  99.960% * 99.6620% (0.95  10.0   3.56  41.71) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  13.95 +/- 1.18   0.013% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  13.46 +/- 1.07   0.015% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  15.56 +/- 1.47   0.010% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  21.13 +/- 2.29   0.002% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  27.62 +/- 1.57   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.01, residual support = 41.7:
      O   HN    ASP-  86 - HB2   ASP-  86   2.53 +/- 0.19  99.987% * 99.2641% (0.49  10.0   5.01  41.71) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  13.88 +/- 1.06   0.005% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  15.24 +/- 1.20   0.003% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  13.59 +/- 0.86   0.005% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  20.30 +/- 2.20   0.001% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  27.08 +/- 1.43   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.415, support = 3.6, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.44 +/- 0.16  88.385% * 37.5655% (0.38   3.60  22.49) =  82.679%  kept
          HE3   TRP   87 - HB2   ASP-  86   4.92 +/- 0.32  11.468% * 60.6470% (0.61   3.60  22.49) =  17.319%  kept
          HN    ALA   91 - HB2   ASP-  86  11.07 +/- 0.57   0.084% *  0.5253% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  11.82 +/- 0.71   0.058% *  0.5359% (0.97   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  19.99 +/- 0.67   0.002% *  0.4980% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  20.23 +/- 1.08   0.002% *  0.2283% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.8:
        T HA    VAL   83 - HB2   ASP-  86   2.63 +/- 0.56  99.385% * 98.2344% (0.22 10.00   2.25  10.83) =  99.999%  kept
          HB3   SER   82 - HB2   ASP-  86   6.26 +/- 0.82   0.604% *  0.1814% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HB2   ASP-  86  16.21 +/- 1.18   0.005% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  17.73 +/- 0.63   0.002% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  19.75 +/- 0.98   0.001% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  17.97 +/- 1.09   0.002% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  20.16 +/- 1.05   0.001% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  22.55 +/- 0.82   0.000% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  26.51 +/- 1.82   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.7:
      O   HN    ASP-  86 - HA    ASP-  86   2.73 +/- 0.01  99.992% * 99.2641% (0.49  10.0   4.05  41.71) = 100.000%  kept
          HN    LYS+  99 - HA    ASP-  86  17.00 +/- 1.26   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    ASP-  86  16.20 +/- 1.18   0.002% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  15.60 +/- 1.06   0.003% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  22.56 +/- 2.35   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  29.92 +/- 1.50   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.52, residual support = 70.3:
          HE3   TRP   87 - HA    TRP   87   3.13 +/- 0.14  99.853% * 98.5662% (0.99   3.52  70.32) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.47 +/- 0.53   0.138% *  0.4898% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  15.65 +/- 0.55   0.007% *  0.2971% (0.53   0.02   6.14) =   0.000%
          HN    ALA   61 - HA    TRP   87  20.06 +/- 0.64   0.002% *  0.5212% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  23.89 +/- 0.84   0.001% *  0.1257% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.21, residual support = 70.3:
      O   HE3   TRP   87 - HB2   TRP   87   2.52 +/- 0.05  99.945% * 99.7445% (0.99  10.0   3.21  70.32) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.04 +/- 0.48   0.051% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  14.91 +/- 0.49   0.002% *  0.0529% (0.53   1.0   0.02   6.14) =   0.000%
          HN    ALA   61 - HB2   TRP   87  17.95 +/- 0.66   0.001% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  21.95 +/- 0.84   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.21, residual support = 70.3:
      O   HE3   TRP   87 - HB3   TRP   87   4.06 +/- 0.03  97.491% * 99.7445% (0.99  10.0   3.21  70.32) =  99.998%  kept
          HN    ALA   91 - HB3   TRP   87   7.59 +/- 0.42   2.441% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  14.52 +/- 0.40   0.047% *  0.0529% (0.53   1.0   0.02   6.14) =   0.000%
          HN    ALA   61 - HB3   TRP   87  17.37 +/- 0.67   0.016% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  21.83 +/- 0.74   0.004% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 5 structures by 0.89 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 2.05, residual support = 18.0:
          QD1   ILE   89 - HB2   TRP   87   3.18 +/- 0.21  96.860% * 58.5336% (0.90   2.07  18.04) =  97.835%  kept
          QG2   VAL   83 - HB2   TRP   87   5.92 +/- 0.80   3.058% * 41.0088% (1.00   1.30  15.02) =   2.164%  kept
          QD2   LEU   31 - HB2   TRP   87  10.91 +/- 0.99   0.082% *  0.4576% (0.73   0.02   1.72) =   0.001%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.65, residual support = 18.0:
        T QD1   ILE   89 - HB3   TRP   87   2.07 +/- 0.28  99.272% * 99.8495% (0.45 10.00   3.65  18.04) = 100.000%  kept
          QG2   VAL   83 - HB3   TRP   87   5.18 +/- 0.88   0.621% *  0.0496% (0.22  1.00   0.02  15.02) =   0.000%
          QG2   VAL   75 - HB3   TRP   87   6.94 +/- 0.67   0.103% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  11.82 +/- 0.69   0.004% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 18.0:
          HG12  ILE   89 - HB3   TRP   87   2.28 +/- 0.44  99.867% * 54.8868% (0.22   0.75  18.04) =  99.987%  kept
          QB    ALA   91 - HB3   TRP   87   8.15 +/- 0.78   0.109% *  5.7027% (0.87   0.02   0.02) =   0.011%
          QG2   ILE   56 - HB3   TRP   87  11.59 +/- 1.71   0.012% *  2.7027% (0.41   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HB3   TRP   87  13.48 +/- 0.85   0.004% *  5.8960% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  14.40 +/- 0.82   0.004% *  1.6393% (0.25   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  17.38 +/- 0.94   0.001% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  18.85 +/- 0.99   0.001% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  19.69 +/- 0.93   0.001% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  19.43 +/- 1.34   0.001% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  16.19 +/- 1.35   0.001% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  23.10 +/- 1.76   0.000% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.4:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.01  99.999% * 99.0353% (0.38  10.0   1.63  11.41) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  19.38 +/- 1.06   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  19.81 +/- 0.99   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  18.88 +/- 1.05   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  23.15 +/- 0.68   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.9, residual support = 11.4:
      O   HN    ALA   88 - QB    ALA   88   2.90 +/- 0.08  99.988% * 99.1703% (0.38  10.0   1.90  11.41) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  16.31 +/- 1.22   0.004% *  0.2412% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  16.95 +/- 0.94   0.003% *  0.2412% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  15.79 +/- 1.22   0.004% *  0.1247% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  19.21 +/- 0.84   0.001% *  0.2226% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 215.7:
          QD1   ILE   89 - HA    ILE   89   2.78 +/- 0.53  99.337% * 99.6619% (0.92   5.98 215.70) =  99.998%  kept
          QG2   VAL   83 - HA    ILE   89   6.86 +/- 0.84   0.651% *  0.2481% (0.69   0.02   0.02) =   0.002%
          QD2   LEU   31 - HA    ILE   89  13.99 +/- 0.72   0.012% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.36, residual support = 40.3:
      O   HN    GLN   90 - HA    ILE   89   2.64 +/- 0.38  99.761% * 99.8365% (0.99  10.0   6.36  40.29) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89   8.32 +/- 1.19   0.211% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  11.15 +/- 0.26   0.025% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  16.53 +/- 1.73   0.003% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.01, residual support = 215.7:
      O   HN    ILE   89 - HA    ILE   89   2.63 +/- 0.22  99.997% * 99.6601% (0.76  10.0   6.01 215.70) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  16.48 +/- 0.50   0.002% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  17.92 +/- 1.19   0.001% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  25.96 +/- 0.79   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  22.76 +/- 0.85   0.000% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.935, support = 2.46, residual support = 7.98:
          HN    ALA   91 - HA    ILE   89   3.43 +/- 0.49  90.621% * 81.7755% (0.95   2.49   7.79) =  98.122%  kept
          HD1   TRP   87 - HA    ILE   89   5.37 +/- 0.25   8.726% * 16.2236% (0.38   1.24  18.04) =   1.875%  kept
          HE3   TRP   87 - HA    ILE   89   8.23 +/- 0.25   0.637% *  0.4214% (0.61   0.02  18.04) =   0.004%
          HN    TRP   27 - HA    ILE   89  16.69 +/- 0.44   0.008% *  0.6706% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  17.04 +/- 0.93   0.007% *  0.6232% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  24.47 +/- 0.74   0.001% *  0.2857% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 215.7:
      O T QD1   ILE   89 - HB    ILE   89   2.92 +/- 0.42  87.788% * 99.6065% (0.74  10.0 10.00   5.31 215.70) =  99.988%  kept
          QG2   VAL   83 - HB    ILE   89   4.85 +/- 0.67   7.311% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.006%
        T QD1   ILE   89 - HB    VAL   43   5.85 +/- 0.67   1.707% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.004%
        T QD2   LEU   31 - HB    VAL   43   6.18 +/- 0.60   1.352% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   6.27 +/- 0.93   1.826% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  12.61 +/- 1.05   0.016% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 215.7:
      O T HG13  ILE   89 - HB    ILE   89   2.46 +/- 0.28  99.898% * 99.7821% (0.78  10.0 10.00   4.97 215.70) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43   8.07 +/- 0.64   0.102% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.58, residual support = 215.7:
      O   HN    ILE   89 - HB    ILE   89   2.76 +/- 0.52  99.833% * 99.5645% (0.61  10.0   5.58 215.70) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43  10.15 +/- 0.64   0.074% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  10.22 +/- 0.66   0.056% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  14.36 +/- 0.55   0.008% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  13.87 +/- 0.60   0.011% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  19.10 +/- 0.98   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.90 +/- 0.59   0.005% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.52 +/- 0.69   0.011% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  24.62 +/- 1.11   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  20.93 +/- 1.23   0.001% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   9.51 +/- 0.70 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.44 A violated in 20 structures by 6.07 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.699, residual support = 18.0:
          HD1   TRP   87 - QG2   ILE   89   4.16 +/- 0.18  99.792% * 91.6519% (0.95   0.70  18.04) =  99.997%  kept
          HN    TRP   27 - QG2   ILE   89  12.21 +/- 0.55   0.160% *  0.9458% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 102 - QG2   ILE   89  16.25 +/- 0.89   0.031% *  2.2201% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   ILE   89  19.41 +/- 0.43   0.010% *  2.5594% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  20.32 +/- 0.58   0.007% *  2.6228% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 2 structures by 0.67 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.21, residual support = 40.3:
          HN    GLN   90 - QG2   ILE   89   2.02 +/- 0.40  99.955% * 99.1845% (0.61   7.21  40.29) = 100.000%  kept
          HN    SER   82 - QG2   ILE   89   8.37 +/- 0.52   0.042% *  0.4189% (0.92   0.02   0.02) =   0.000%
          HN    ILE  103 - QG2   ILE   89  14.12 +/- 1.36   0.002% *  0.1865% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  15.52 +/- 0.88   0.001% *  0.0700% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  18.52 +/- 0.76   0.000% *  0.1401% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 12.4:
        T HB2   PHE   45 - QG2   ILE   89   3.05 +/- 0.59  99.888% * 99.5807% (0.97 10.00   0.75  12.38) = 100.000%  kept
          QE    LYS+ 111 - QG2   ILE   89  11.88 +/- 1.12   0.048% *  0.2745% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QG2   ILE   89  11.45 +/- 1.18   0.065% *  0.1448% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.159, support = 5.44, residual support = 40.0:
          QG    GLN   90 - QG2   ILE   89   3.66 +/- 0.43  94.273% * 76.9010% (0.15   5.48  40.29) =  99.228%  kept
          HG2   MET   92 - QG2   ILE   89   7.14 +/- 0.91   3.510% * 15.6473% (0.73   0.24   0.02) =   0.752%  kept
          HB2   GLU-  79 - QG2   ILE   89   9.11 +/- 0.69   0.475% *  1.0295% (0.57   0.02   0.02) =   0.007%
          HB2   ASP-  44 - QG2   ILE   89   8.26 +/- 0.56   0.833% *  0.5056% (0.28   0.02   0.02) =   0.006%
          QG    GLU- 114 - QG2   ILE   89  10.96 +/- 1.35   0.217% *  1.1764% (0.65   0.02   0.02) =   0.003%
          HG2   PRO   52 - QG2   ILE   89   8.91 +/- 0.90   0.621% *  0.4049% (0.22   0.02   0.02) =   0.003%
          HB3   PHE   72 - QG2   ILE   89  12.94 +/- 0.85   0.055% *  0.3599% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  18.31 +/- 1.31   0.008% *  0.6825% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  19.05 +/- 1.12   0.006% *  0.4534% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  23.06 +/- 0.69   0.002% *  1.3205% (0.73   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  25.30 +/- 1.72   0.001% *  1.5189% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 12.4:
        T HB3   PHE   45 - QG2   ILE   89   2.60 +/- 0.51  99.527% * 97.9151% (0.49 10.00   0.75  12.38) =  99.998%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.88 +/- 0.19   0.216% *  0.5364% (1.00  1.00   0.02   0.02) =   0.001%
          HG3   MET   96 - QG2   ILE   89   8.69 +/- 0.75   0.131% *  0.1830% (0.34  1.00   0.02   2.25) =   0.000%
          HB    VAL  107 - QG2   ILE   89   9.47 +/- 1.01   0.110% *  0.0828% (0.15  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  13.68 +/- 1.09   0.009% *  0.2611% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  14.95 +/- 0.81   0.004% *  0.4100% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  17.27 +/- 0.72   0.002% *  0.5177% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  22.75 +/- 1.08   0.000% *  0.0939% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.468, support = 2.07, residual support = 11.2:
          QB    ALA   84 - QG2   ILE   89   3.23 +/- 0.58  86.833% * 27.6023% (0.49   1.75  11.94) =  87.061%  kept
          QB    ALA   88 - QG2   ILE   89   5.33 +/- 0.23   5.026% * 53.2070% (0.31   5.32   7.92) =   9.713%  kept
          HB3   PRO   93 - QG2   ILE   89   6.74 +/- 1.24   6.109% * 14.3307% (0.45   0.99   0.02) =   3.180%  kept
          HB3   LEU   80 - QG2   ILE   89   7.12 +/- 1.10   1.297% *  0.6419% (0.99   0.02   0.02) =   0.030%
          HB3   ASP-  44 - QG2   ILE   89   7.71 +/- 0.51   0.586% *  0.5618% (0.87   0.02   0.02) =   0.012%
          HG2   LYS+ 111 - QG2   ILE   89  12.39 +/- 1.06   0.040% *  0.6250% (0.97   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   ILE   89  11.35 +/- 1.00   0.059% *  0.3928% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  12.70 +/- 0.88   0.033% *  0.6126% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  14.59 +/- 0.67   0.011% *  0.6419% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  18.10 +/- 0.59   0.003% *  0.4949% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  19.89 +/- 0.96   0.002% *  0.4703% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  21.57 +/- 0.61   0.001% *  0.4189% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.69, residual support = 215.7:
      O T HG13  ILE   89 - QG2   ILE   89   2.61 +/- 0.27 100.000% *100.0000% (0.98  10.0 10.00   5.69 215.70) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 215.7:
        T QD1   ILE   89 - QG2   ILE   89   1.89 +/- 0.25  99.420% * 99.2348% (0.92 10.00   6.31 215.70) =  99.996%  kept
        T QG2   VAL   83 - QG2   ILE   89   4.73 +/- 0.71   0.575% *  0.7384% (0.69 10.00   0.02   0.02) =   0.004%
          QD2   LEU   31 - QG2   ILE   89  10.67 +/- 0.56   0.005% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.57, residual support = 215.7:
      O T QD1   ILE   89 - HG12  ILE   89   2.15 +/- 0.01  98.656% * 99.4549% (0.92  10.0 10.00   5.57 215.70) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   5.09 +/- 1.30   1.328% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HG3   LYS+  99  15.90 +/- 0.71   0.001% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  10.05 +/- 0.80   0.010% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  12.03 +/- 0.90   0.004% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.29 +/- 1.09   0.001% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.15, residual support = 215.7:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.15 215.70) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  20.33 +/- 0.68   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.25, residual support = 214.5:
      O T QD1   ILE   89 - HG13  ILE   89   2.15 +/- 0.01  92.214% * 93.6411% (0.90  10.0 10.00   5.27 215.70) =  99.437%  kept
          QG2   VAL   83 - HG13  ILE   89   4.38 +/- 1.86   7.781% *  6.2831% (1.00   1.0  1.00   1.20   0.02) =   0.563%  kept
          QD2   LEU   31 - HG13  ILE   89  11.46 +/- 0.69   0.004% *  0.0758% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 215.7:
      O T QG2   ILE   89 - HG13  ILE   89   2.61 +/- 0.27  98.860% * 99.9734% (0.84  10.0 10.00   5.69 215.70) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   6.31 +/- 1.47   1.140% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 215.7:
      O T HB    ILE   89 - HG13  ILE   89   2.46 +/- 0.28  99.856% * 98.8208% (0.49  10.0 10.00   4.97 215.70) =  99.999%  kept
        T HB    VAL   43 - HG13  ILE   89   8.07 +/- 0.64   0.102% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG13  ILE   89   9.52 +/- 1.37   0.040% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  18.38 +/- 0.70   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  18.24 +/- 0.83   0.001% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.53, residual support = 215.7:
          HN    ILE   89 - HG13  ILE   89   3.28 +/- 0.68  99.955% * 98.7818% (0.76   5.53 215.70) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  13.73 +/- 0.67   0.030% *  0.4191% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  17.73 +/- 1.45   0.010% *  0.4421% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  23.11 +/- 0.74   0.001% *  0.2646% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  19.67 +/- 0.80   0.003% *  0.0925% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.77, residual support = 215.7:
          HN    ILE   89 - HG12  ILE   89   2.21 +/- 0.50  99.970% * 98.2282% (0.76   5.77 215.70) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  10.86 +/- 0.88   0.019% *  0.1024% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  14.97 +/- 0.77   0.003% *  0.3999% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  17.94 +/- 1.44   0.001% *  0.4218% (0.95   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  15.56 +/- 1.16   0.002% *  0.1710% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  13.99 +/- 0.72   0.004% *  0.0358% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  19.15 +/- 1.14   0.001% *  0.1622% (0.36   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  23.66 +/- 1.00   0.000% *  0.2524% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  20.37 +/- 1.03   0.000% *  0.0882% (0.20   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.77 +/- 1.01   0.000% *  0.1382% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 215.7:
      O T HG13  ILE   89 - QD1   ILE   89   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 215.70) = 100.000%  kept
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.31, residual support = 215.7:
        T QG2   ILE   89 - QD1   ILE   89   1.89 +/- 0.25  99.806% * 99.7342% (0.84 10.00   6.31 215.70) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.84 +/- 0.89   0.194% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.57, residual support = 215.7:
      O T HG12  ILE   89 - QD1   ILE   89   2.15 +/- 0.01  99.978% * 99.2664% (1.00  10.0 10.00   5.57 215.70) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89   9.48 +/- 0.75   0.015% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  12.25 +/- 0.92   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  15.90 +/- 0.71   0.001% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  15.58 +/- 1.19   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  14.68 +/- 0.89   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  15.25 +/- 0.84   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  16.20 +/- 1.17   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 215.7:
      O T HB    ILE   89 - QD1   ILE   89   2.92 +/- 0.42  97.880% * 98.8208% (0.49  10.0 10.00   5.31 215.70) =  99.980%  kept
        T HB    VAL   43 - QD1   ILE   89   5.85 +/- 0.67   1.928% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.020%
          QD    LYS+  81 - QD1   ILE   89   9.21 +/- 0.82   0.173% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  14.22 +/- 0.72   0.009% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  14.10 +/- 0.78   0.010% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.75, residual support = 2.25:
        T HB3   MET   96 - QD1   ILE   89   4.61 +/- 0.92  99.198% * 98.5213% (0.53 10.00   0.75   2.25) =  99.997%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.13 +/- 0.78   0.249% *  0.4332% (0.87  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   ILE   89  13.16 +/- 1.20   0.305% *  0.3029% (0.61  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD1   ILE   89  15.21 +/- 0.64   0.121% *  0.4478% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD1   ILE   89  15.50 +/- 0.82   0.108% *  0.1703% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   ILE   89  20.67 +/- 1.41   0.019% *  0.1245% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 11 structures by 1.16 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.65, residual support = 18.0:
        T HB3   TRP   87 - QD1   ILE   89   2.07 +/- 0.28  99.658% * 99.8369% (0.76 10.00   3.65  18.04) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   6.19 +/- 0.83   0.341% *  0.0177% (0.14  1.00   0.02   2.25) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  16.63 +/- 1.24   0.001% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  21.06 +/- 1.16   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.508, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  10.40 +/- 0.66  63.517% * 62.4025% (0.57   0.02   0.02) =  74.291%  kept
          HB    THR  118 - QD1   ILE   89  11.45 +/- 0.80  36.483% * 37.5975% (0.34   0.02   0.02) =  25.709%  kept
    Distance limit 2.85 A violated in 20 structures by 6.73 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.83, residual support = 12.4:
          QD    PHE   45 - QD1   ILE   89   2.59 +/- 0.40  99.989% * 96.4773% (0.45   2.83  12.38) = 100.000%  kept
          HD2   HIS  122 - QD1   ILE   89  13.36 +/- 1.10   0.008% *  1.5099% (0.99   0.02   0.02) =   0.000%
          HE22  GLN  116 - QD1   ILE   89  17.79 +/- 1.04   0.002% *  1.4932% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  18.94 +/- 1.23   0.001% *  0.5196% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.916, support = 2.36, residual support = 18.0:
          HN    TRP   87 - QD1   ILE   89   4.10 +/- 0.28  76.057% * 79.1215% (0.97   2.39  18.04) =  92.793%  kept
          HE3   TRP   87 - QD1   ILE   89   5.00 +/- 0.17  23.917% * 19.5417% (0.28   2.05  18.04) =   7.207%  kept
          HN    GLN   17 - QD1   ILE   89  16.89 +/- 0.78   0.017% *  0.6870% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  19.07 +/- 1.21   0.009% *  0.6498% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 215.7:
          HN    ILE   89 - QD1   ILE   89   3.08 +/- 0.52  99.910% * 98.8577% (0.76   5.90 215.70) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  11.51 +/- 0.62   0.057% *  0.3930% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  13.35 +/- 0.82   0.022% *  0.4145% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  18.83 +/- 0.77   0.003% *  0.2481% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  16.29 +/- 0.83   0.007% *  0.0867% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.68, residual support = 90.0:
          HN    GLN   90 - QG    GLN   90   2.62 +/- 0.43  99.916% * 99.2289% (0.69   5.68  90.03) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90   9.98 +/- 1.90   0.083% *  0.3492% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  17.64 +/- 1.56   0.002% *  0.4218% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 90.0:
      O   HN    GLN   90 - HB3   GLN   90   3.61 +/- 0.23  99.590% * 99.8365% (0.83  10.0   5.59  90.03) = 100.000%  kept
          HN    GLY  109 - HB3   GLN   90  10.82 +/- 1.78   0.256% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB3   GLN   90  11.41 +/- 1.68   0.151% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  21.02 +/- 2.18   0.003% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.92, residual support = 54.9:
      O   HN    GLU-  79 - HB3   GLU-  79   2.85 +/- 0.42  99.339% * 98.3257% (0.16  10.0   3.92  54.95) =  99.998%  kept
          HN    SER   85 - HB2   GLN   90   7.84 +/- 0.85   0.462% *  0.3734% (0.61   1.0   0.02   0.02) =   0.002%
          HN    THR   94 - HB2   GLN   90  10.30 +/- 0.51   0.071% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.83 +/- 0.54   0.048% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  10.91 +/- 1.79   0.068% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  14.29 +/- 0.62   0.008% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.10 +/- 0.98   0.004% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  24.52 +/- 1.24   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.26, residual support = 54.9:
      O T HA    GLU-  79 - HB3   GLU-  79   2.77 +/- 0.23  94.769% * 97.1719% (0.57  10.0 10.00   4.26  54.95) =  99.994%  kept
          HB    THR   77 - HB2   GLN   90   5.75 +/- 1.81   4.555% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.005%
          HA    SER   85 - HB2   GLN   90   6.96 +/- 0.52   0.442% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  12.56 +/- 1.69   0.016% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.12 +/- 0.34   0.177% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  13.58 +/- 1.97   0.010% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.35 +/- 0.53   0.009% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.39 +/- 0.54   0.009% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.19 +/- 0.57   0.006% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.95 +/- 1.38   0.002% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.68 +/- 1.35   0.002% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  18.27 +/- 1.20   0.001% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  20.78 +/- 1.35   0.001% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.68 +/- 1.64   0.001% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.38 +/- 0.81   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.09 +/- 0.62   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.83 +/- 3.49   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.93 +/- 3.28   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.631, support = 0.555, residual support = 0.521:
          QB    ALA   88 - QG    GLN   90   4.66 +/- 1.11  44.748% * 91.2048% (0.62   0.59   0.55) =  94.345%  kept
          QG2   THR   77 - QG    GLN   90   4.48 +/- 1.58  55.198% *  4.4302% (0.88   0.02   0.02) =   5.653%  kept
          QG2   THR   23 - QG    GLN   90  12.65 +/- 2.07   0.052% *  1.6963% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QG    GLN   90  22.82 +/- 0.89   0.001% *  1.1270% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  26.26 +/- 0.75   0.000% *  1.5417% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.10 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.337, support = 0.0198, residual support = 0.0198:
          QG    LYS+  81 - QG    GLN   90   6.58 +/- 2.27  86.051% *  3.4351% (0.18   0.02   0.02) =  71.222%  kept
          HB3   LYS+ 111 - QG    GLN   90  15.22 +/- 2.12   3.381% * 17.3580% (0.90   0.02   0.02) =  14.142%  kept
          HD3   LYS+  74 - QG    GLN   90  13.70 +/- 1.67   1.439% * 17.3194% (0.89   0.02   0.02) =   6.004%  kept
          HG2   LYS+ 106 - QG    GLN   90  13.03 +/- 1.69   7.707% *  2.6782% (0.14   0.02   0.02) =   4.973%  kept
          HG    LEU  104 - QG    GLN   90  19.66 +/- 1.31   0.352% * 17.0143% (0.88   0.02   0.02) =   1.443%  kept
          HB3   LYS+ 121 - QG    GLN   90  21.34 +/- 1.87   0.299% * 17.0143% (0.88   0.02   0.02) =   1.226%  kept
          HD2   LYS+ 121 - QG    GLN   90  20.40 +/- 2.05   0.448% *  3.8645% (0.20   0.02   0.02) =   0.417%
          QD    LYS+  66 - QG    GLN   90  22.15 +/- 1.10   0.146% *  9.8273% (0.51   0.02   0.02) =   0.345%
          HG2   LYS+  33 - QG    GLN   90  23.09 +/- 1.17   0.075% *  8.4490% (0.44   0.02   0.02) =   0.153%
          HG2   LYS+  65 - QG    GLN   90  22.22 +/- 1.22   0.103% *  3.0399% (0.16   0.02   0.02) =   0.075%
    Distance limit 3.62 A violated in 18 structures by 2.72 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 62.2:
      O   HG3   MET   92 - HB2   MET   92   2.75 +/- 0.27  99.614% * 96.5136% (0.73  10.0  1.00   2.96  62.18) =  99.996%  kept
        T QG    GLN   90 - HB2   MET   92   8.03 +/- 1.10   0.365% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   ASP- 105 - HB2   MET   92  15.94 +/- 1.36   0.004% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   MET   92  13.82 +/- 0.74   0.008% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.46 +/- 1.05   0.004% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  26.92 +/- 1.37   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  25.72 +/- 1.28   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  15.23 +/- 1.62   0.005% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  19.56 +/- 0.87   0.001% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.67 +/- 1.12   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  28.31 +/- 0.95   0.000% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 62.2:
      O   HN    MET   92 - HB2   MET   92   3.10 +/- 0.53  99.818% * 99.7272% (0.92  10.0   3.65  62.18) = 100.000%  kept
          HN    THR   46 - HB2   MET   92  10.17 +/- 0.89   0.123% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  11.69 +/- 1.44   0.055% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  18.13 +/- 0.82   0.004% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  39.38 +/- 1.79   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 62.2:
      O T HA    MET   92 - HB2   MET   92   2.92 +/- 0.17  99.999% * 99.8006% (0.61  10.0 10.00   3.87  62.18) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  22.93 +/- 1.27   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  21.46 +/- 0.90   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 62.2:
      O   HG3   MET   92 - HB3   MET   92   2.69 +/- 0.31  99.849% * 99.2141% (0.73  10.0   3.29  62.18) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   8.83 +/- 0.86   0.125% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  14.12 +/- 1.21   0.006% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  12.98 +/- 0.77   0.009% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  14.98 +/- 1.18   0.005% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  18.63 +/- 0.96   0.001% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  15.27 +/- 1.76   0.004% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  26.48 +/- 0.86   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  24.87 +/- 1.12   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.18 +/- 1.38   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.59 +/- 0.87   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 62.2:
      O T HA    MET   92 - HB3   MET   92   2.77 +/- 0.19  99.999% * 99.8006% (0.61  10.0 10.00   4.22  62.18) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.75 +/- 1.19   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  20.70 +/- 0.42   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.2:
      O T HA    MET   92 - HG2   MET   92   2.68 +/- 0.37  99.999% * 99.8006% (0.61  10.0 10.00   2.49  62.18) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  23.57 +/- 1.01   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  22.39 +/- 0.99   0.000% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.344, support = 0.02, residual support = 2.05:
          HB2   SER   37 - QG2   THR   39   3.61 +/- 0.25  91.054% * 10.7941% (0.30   0.02   2.45) =  83.537%  kept
          HA1   GLY   16 - QG2   THR   39   7.88 +/- 2.47   8.825% * 21.7367% (0.60   0.02   0.02) =  16.304%  kept
          HA    LYS+  66 - QG2   THR   39  11.51 +/- 1.05   0.103% * 16.6488% (0.46   0.02   0.02) =   0.146%
          HA1   GLY   16 - QG2   THR   23  17.91 +/- 0.84   0.006% * 12.1974% (0.33   0.02   0.02) =   0.006%
          HB2   SER   37 - QG2   THR   23  17.75 +/- 0.69   0.006% *  6.0571% (0.17   0.02   0.02) =   0.003%
          HA    LYS+  66 - QG2   THR   23  21.72 +/- 0.79   0.002% *  9.3424% (0.26   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    ALA   91  23.10 +/- 0.96   0.001% * 10.2645% (0.28   0.02   0.02) =   0.001%
          HA    LYS+  66 - QB    ALA   91  22.33 +/- 1.22   0.002% *  7.8619% (0.22   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    ALA   91  26.29 +/- 1.09   0.001% *  5.0972% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.20 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.0, residual support = 62.2:
      O   HN    MET   92 - HB3   MET   92   3.87 +/- 0.27  99.423% * 99.8535% (0.92  10.0   4.00  62.18) = 100.000%  kept
          HN    THR   46 - HB3   MET   92   9.83 +/- 1.09   0.425% *  0.0827% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   MET   92  12.16 +/- 1.62   0.140% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  17.59 +/- 0.77   0.012% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.695, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   8.12 +/- 1.15  52.484% * 16.4223% (0.80   0.02   0.02) =  80.555%  kept
          HA    GLN   90 - HB3   MET   92   8.68 +/- 0.37  37.212% *  3.5917% (0.18   0.02   0.02) =  12.492%  kept
          HA    PHE   55 - HB3   MET   92  11.34 +/- 1.13   7.934% *  6.3300% (0.31   0.02   0.02) =   4.694%  kept
          HA    VAL   42 - HB3   MET   92  16.68 +/- 0.52   0.781% * 18.3930% (0.90   0.02   0.02) =   1.342%  kept
          HA    PRO   58 - HB3   MET   92  15.27 +/- 0.92   1.269% *  5.1139% (0.25   0.02   0.02) =   0.606%  kept
          HA    GLN   17 - HB3   MET   92  22.14 +/- 1.03   0.132% * 17.7900% (0.87   0.02   0.02) =   0.219%
          HA    LEU   40 - HB3   MET   92  23.09 +/- 0.54   0.109% *  3.1644% (0.15   0.02   0.02) =   0.032%
          HA    SER   37 - HB3   MET   92  31.61 +/- 0.55   0.016% * 17.7900% (0.87   0.02   0.02) =   0.027%
          HA    GLU-  15 - HB3   MET   92  26.13 +/- 0.80   0.048% *  5.7022% (0.28   0.02   0.02) =   0.026%
          HA    SER   13 - HB3   MET   92  32.19 +/- 1.02   0.014% *  5.7022% (0.28   0.02   0.02) =   0.007%
    Distance limit 4.08 A violated in 19 structures by 3.12 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.2:
      O T HA    MET   92 - HG3   MET   92   2.80 +/- 0.54  99.993% * 99.9198% (0.99  10.0 10.00   3.97  62.18) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  16.27 +/- 1.17   0.006% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.76 +/- 0.91   0.001% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 62.2:
          HN    MET   92 - HG3   MET   92   3.70 +/- 0.40  99.395% * 99.2221% (0.92   3.74  62.18) =  99.998%  kept
          HN    THR   46 - HG3   MET   92  10.90 +/- 1.40   0.519% *  0.4388% (0.76   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG3   MET   92  13.05 +/- 1.75   0.077% *  0.1432% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  19.06 +/- 1.23   0.009% *  0.1959% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.408, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   7.22 +/- 0.90  92.860% * 67.4545% (0.41   0.02   0.02) =  98.995%  kept
          HN    LYS+  65 - HB2   PRO   93  14.99 +/- 1.24   1.449% * 25.3164% (0.15   0.02   0.02) =   0.580%  kept
          QD    PHE   45 - HG3   GLN   30  12.92 +/- 1.64   4.781% *  5.2564% (0.03   0.02   0.02) =   0.397%
          HN    LYS+  65 - HG3   GLN   30  16.48 +/- 1.67   0.910% *  1.9728% (0.01   0.02   0.02) =   0.028%
    Distance limit 4.18 A violated in 19 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.39, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.79 +/- 0.23  99.892% * 99.8806% (1.00  10.0   4.39  15.60) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  14.51 +/- 1.48   0.037% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  15.28 +/- 0.98   0.024% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  15.39 +/- 1.32   0.027% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.51 +/- 1.74   0.009% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  18.16 +/- 1.59   0.010% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.408, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.97 +/- 0.84  96.946% * 72.7108% (0.41   0.02   0.02) =  98.832%  kept
          HN    LYS+  65 - HG2   PRO   93  16.49 +/- 1.39   3.054% * 27.2892% (0.15   0.02   0.02) =   1.168%  kept
    Distance limit 4.02 A violated in 20 structures by 4.90 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.1:
      O   HB2   PRO   93 - HG3   PRO   93   2.58 +/- 0.31  99.671% * 98.6893% (0.84  10.0  1.00   5.30 132.15) = 100.000%  kept
          HB    VAL  108 - HG3   PRO   93   7.83 +/- 1.02   0.244% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG3   PRO   93   9.54 +/- 1.75   0.076% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  13.15 +/- 1.21   0.009% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  23.02 +/- 2.28   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  22.04 +/- 1.47   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.41 +/- 0.95   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  24.06 +/- 1.62   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  36.34 +/- 2.42   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.1:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.772% * 96.9677% (0.99  10.0 10.00   3.97 132.15) = 100.000%  kept
          HB3   PRO   52 - HG3   PRO   93   5.53 +/- 1.11   0.227% *  0.0367% (0.38   1.0  1.00   0.02   1.01) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  15.92 +/- 1.43   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.61 +/- 1.31   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.32 +/- 0.72   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  18.37 +/- 1.43   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  15.71 +/- 1.37   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  17.43 +/- 1.33   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  21.71 +/- 1.28   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  21.45 +/- 1.75   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 132.1:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.534% * 97.0769% (0.95  10.0 10.00   3.97 132.15) =  99.999%  kept
          HB3   MET   92 - HG2   PRO   93   4.54 +/- 0.66   0.455% *  0.0947% (0.92   1.0  1.00   0.02   1.70) =   0.000%
        T HD2   LYS+ 111 - HG2   PRO   93   9.17 +/- 1.43   0.009% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  11.89 +/- 0.92   0.001% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  17.21 +/- 1.48   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.55 +/- 1.55   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  17.20 +/- 1.23   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.46 +/- 1.46   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.66 +/- 1.49   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.18 +/- 1.75   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.43 +/- 1.09   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.60 +/- 1.06   0.000% *  0.0581% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.1:
      O   HD3   PRO   93 - HG3   PRO   93   2.67 +/- 0.30  95.405% * 99.5358% (0.97  10.0   3.97 132.15) =  99.995%  kept
          QB    PHE   55 - HG3   PRO   93   5.52 +/- 1.44   3.282% *  0.1029% (1.00   1.0   0.02   0.02) =   0.004%
          HB3   CYS   53 - HG3   PRO   93   6.17 +/- 1.56   1.098% *  0.0861% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   PRO   93   8.74 +/- 1.74   0.194% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  11.34 +/- 1.59   0.020% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  21.72 +/- 1.44   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.1:
      O   HD2   PRO   93 - HG3   PRO   93   2.53 +/- 0.28  99.988% * 99.4436% (0.25  10.0   3.97 132.15) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  13.38 +/- 1.34   0.011% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  19.88 +/- 1.44   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  23.01 +/- 1.35   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  16.45 +/- 1.45 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.07 A violated in 20 structures by 12.38 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.711, support = 2.93, residual support = 6.56:
          HN    ALA  110 - HD2   PRO   93   3.67 +/- 1.83  93.788% * 83.6641% (0.71   2.96   6.64) =  98.826%  kept
          HN    PHE   45 - HD2   PRO   93   8.89 +/- 0.58   5.771% * 16.1457% (0.61   0.67   0.02) =   1.173%  kept
          HN    ASP-  44 - HD2   PRO   93  13.19 +/- 0.62   0.422% *  0.0891% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  22.62 +/- 1.15   0.020% *  0.1011% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 3 structures by 0.40 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.381, support = 0.981, residual support = 0.978:
          HA1   GLY  109 - HD2   PRO   93   5.16 +/- 1.71  89.489% * 88.9425% (0.38   0.98   0.98) =  99.772%  kept
          HA    CYS   50 - HD2   PRO   93   8.44 +/- 1.13   9.617% *  1.6746% (0.35   0.02   0.02) =   0.202%
          HA    TRP   49 - HD2   PRO   93  12.27 +/- 1.07   0.794% *  2.3633% (0.50   0.02   0.02) =   0.024%
          HA    CYS   21 - HD2   PRO   93  21.63 +/- 0.98   0.025% *  2.9843% (0.63   0.02   0.02) =   0.001%
          HA    LYS+ 102 - HD2   PRO   93  22.07 +/- 0.69   0.020% *  3.4328% (0.72   0.02   0.02) =   0.001%
          HA    ALA   20 - HD2   PRO   93  18.95 +/- 1.15   0.055% *  0.6025% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 8 structures by 1.25 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.64:
          QB    ALA  110 - HD2   PRO   93   3.33 +/- 1.56  95.907% * 93.8296% (0.69   2.31   6.64) =  99.990%  kept
          HB3   LEU  115 - HD2   PRO   93   9.10 +/- 1.64   3.258% *  0.1504% (0.13   0.02   0.02) =   0.005%
          QB    ALA   61 - HD2   PRO   93  13.13 +/- 0.89   0.191% *  0.8567% (0.72   0.02   0.02) =   0.002%
          HB2   LEU   80 - HD2   PRO   93  16.63 +/- 1.70   0.195% *  0.4179% (0.35   0.02   0.02) =   0.001%
          HG    LEU   80 - HD2   PRO   93  17.31 +/- 1.48   0.089% *  0.8286% (0.70   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD2   PRO   93  16.68 +/- 1.02   0.193% *  0.2650% (0.22   0.02   0.02) =   0.001%
          HG    LEU   73 - HD2   PRO   93  18.92 +/- 0.78   0.037% *  0.5208% (0.44   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   PRO   93  17.76 +/- 1.50   0.024% *  0.6875% (0.58   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  22.33 +/- 1.38   0.021% *  0.7700% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  17.48 +/- 1.77   0.051% *  0.2929% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  21.04 +/- 1.32   0.009% *  0.8122% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  20.66 +/- 0.94   0.018% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  24.19 +/- 1.50   0.005% *  0.4179% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 3 structures by 0.46 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.702, support = 1.04, residual support = 7.82:
          QB    ALA  110 - HD3   PRO   93   3.47 +/- 1.36  74.490% * 58.7280% (0.78   0.75   6.64) =  89.131%  kept
          HB3   LEU   67 - HD3   PRO   68   4.39 +/- 0.42  19.904% * 26.7687% (0.08   3.42  17.56) =  10.856%  kept
          QG    LYS+  66 - HD3   PRO   68   5.73 +/- 0.91   5.357% *  0.0992% (0.05   0.02   0.02) =   0.011%
          QB    ALA   61 - HD3   PRO   93  12.61 +/- 0.84   0.026% *  1.1679% (0.58   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.34 +/- 0.96   0.089% *  0.2079% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   93  16.50 +/- 1.54   0.009% *  1.7079% (0.85   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   93  16.22 +/- 0.98   0.009% *  1.4457% (0.72   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   68  12.90 +/- 1.17   0.035% *  0.2966% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   93  17.16 +/- 1.43   0.006% *  1.5080% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  18.52 +/- 1.74   0.004% *  1.5080% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  14.93 +/- 1.93   0.013% *  0.2684% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.93 +/- 0.46   0.004% *  0.9499% (0.47   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.07 +/- 0.94   0.016% *  0.1691% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  22.09 +/- 1.35   0.001% *  1.6666% (0.83   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  17.82 +/- 1.43   0.003% *  0.5572% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  14.90 +/- 1.94   0.012% *  0.0893% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  17.06 +/- 0.87   0.004% *  0.2573% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  21.24 +/- 1.25   0.001% *  0.8788% (0.44   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  19.08 +/- 0.78   0.002% *  0.3162% (0.16   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  19.16 +/- 1.48   0.002% *  0.2787% (0.14   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.69 +/- 1.18   0.010% *  0.0563% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  24.48 +/- 1.37   0.001% *  0.3040% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  23.99 +/- 1.58   0.001% *  0.2684% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  28.16 +/- 1.43   0.000% *  0.5020% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   2.93 +/- 0.52 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.23 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 5.5:
          QD1   ILE   89 - HB    THR   94   2.37 +/- 0.43  99.782% * 98.9959% (0.77   2.00   5.50) =  99.998%  kept
          QG2   VAL   83 - HB    THR   94   7.24 +/- 1.22   0.210% *  0.7366% (0.57   0.02   0.02) =   0.002%
          QD2   LEU   31 - HB    THR   94  12.44 +/- 0.83   0.008% *  0.2674% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.1:
        T HB2   PHE   45 - HB    THR   94   2.92 +/- 0.75  99.816% * 99.8423% (0.81 10.00   2.96  27.06) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  12.17 +/- 1.45   0.175% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  14.37 +/- 1.84   0.009% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  13.50 +/- 0.85 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.89 A violated in 20 structures by 10.61 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 25.3:
      O   HN    THR   94 - HB    THR   94   2.73 +/- 0.21  99.937% * 99.8964% (0.83  10.0   3.08  25.25) = 100.000%  kept
          HN    SER   85 - HB    THR   94  10.21 +/- 0.82   0.046% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    THR   94  12.19 +/- 0.98   0.017% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.805, support = 3.27, residual support = 26.8:
          HN    PHE   45 - HB    THR   94   4.59 +/- 0.70  92.392% * 89.4010% (0.81   3.30  27.06) =  99.033%  kept
          HN    ALA  110 - HB    THR   94   7.91 +/- 1.30   7.608% * 10.5990% (0.67   0.47   0.02) =   0.967%  kept
    Distance limit 4.09 A violated in 4 structures by 0.49 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   5.36 +/- 0.62 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.38 A violated in 19 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.18, residual support = 14.4:
          HN    PHE   95 - QG2   THR   94   2.78 +/- 0.22 100.000% *100.0000% (0.97   4.18  14.44) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.671, support = 0.0199, residual support = 0.0199:
          HA    TRP   87 - HA    PHE   95  10.50 +/- 0.59  38.886% * 25.3593% (0.76   0.02   0.02) =  53.751%  kept
          HA    LEU  104 - HA    PHE   95  12.19 +/- 0.55  15.832% * 27.7167% (0.84   0.02   0.02) =  23.919%  kept
          HA    PHE   59 - HA    PHE   95  10.63 +/- 0.93  37.194% *  8.2742% (0.25   0.02   0.02) =  16.775%  kept
          HA    ASP-  86 - HA    PHE   95  13.81 +/- 0.46   7.378% * 12.4539% (0.38   0.02   0.02) =   5.009%  kept
          HA    GLU-  14 - HA    PHE   95  21.41 +/- 0.86   0.562% * 14.8769% (0.45   0.02   0.02) =   0.456%
          HA    ALA   12 - HA    PHE   95  26.89 +/- 1.25   0.147% * 11.3190% (0.34   0.02   0.02) =   0.091%
    Distance limit 3.42 A violated in 20 structures by 5.49 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.5:
          QD    PHE   95 - HA    PHE   95   2.31 +/- 0.36  99.982% * 99.8140% (0.87   3.44  73.51) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.40 +/- 0.38   0.018% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.22 +/- 0.04  99.996% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  12.04 +/- 0.52   0.004% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (0.53  10.0   4.33  73.51) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.43 +/- 0.16  99.991% * 99.9680% (0.87  10.0   3.00  73.51) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.87 +/- 0.52   0.009% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.61 +/- 0.19  99.984% * 99.9680% (0.87  10.0   3.31  73.51) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  11.60 +/- 0.77   0.016% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.24 +/- 0.47 100.000% *100.0000% (0.53  10.0   4.19  73.51) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.70 +/- 0.49 100.000% *100.0000% (0.53  10.0   3.86  73.51) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.73, residual support = 45.6:
          QG2   VAL  107 - HB3   PHE   95   4.23 +/- 0.72  89.663% * 95.9736% (0.84   1.73  45.66) =  99.931%  kept
          HG13  ILE  119 - HB3   PHE   95   6.99 +/- 1.08   8.461% *  0.5447% (0.41   0.02   0.02) =   0.054%
          HG13  ILE  103 - HB3   PHE   95   9.72 +/- 1.71   1.319% *  0.4973% (0.38   0.02   0.02) =   0.008%
          HG2   LYS+ 121 - HB3   PHE   95  12.18 +/- 1.39   0.349% *  1.2988% (0.98   0.02   0.02) =   0.005%
          QB    ALA   20 - HB3   PHE   95  13.69 +/- 1.09   0.157% *  1.1883% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB3   PHE   95  16.27 +/- 1.16   0.051% *  0.4973% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 5 structures by 0.56 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.591, support = 1.53, residual support = 3.29:
          QD1   LEU   63 - HB3   PHE   95   4.10 +/- 0.83  85.171% * 60.0548% (0.57   1.61   3.26) =  92.381%  kept
          QD2   LEU  115 - HB3   PHE   95   7.27 +/- 1.55  11.835% * 35.5091% (0.90   0.60   3.68) =   7.590%  kept
          QD1   LEU  104 - HB3   PHE   95  10.03 +/- 1.14   0.461% *  1.3165% (1.00   0.02   0.02) =   0.011%
          QG2   ILE   89 - HB3   PHE   95   8.26 +/- 0.50   1.861% *  0.2031% (0.15   0.02   0.02) =   0.007%
          QD1   LEU   73 - HB3   PHE   95  10.54 +/- 0.78   0.324% *  0.7453% (0.57   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB3   PHE   95  11.89 +/- 0.99   0.214% *  0.9560% (0.73   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB3   PHE   95  12.79 +/- 1.75   0.134% *  1.2153% (0.92   0.02   0.02) =   0.003%
    Distance limit 3.59 A violated in 4 structures by 0.46 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.745, residual support = 1.44:
          QG1   VAL   42 - HB3   PHE   95   4.86 +/- 0.95  93.606% * 77.5786% (0.65   0.75   1.45) =  99.071%  kept
          QB    ALA   64 - HB3   PHE   95   8.79 +/- 0.91   3.275% * 18.9905% (0.53   0.23   0.02) =   0.848%  kept
          QB    ALA   47 - HB3   PHE   95  10.57 +/- 0.73   1.959% *  2.4440% (0.76   0.02   0.02) =   0.065%
          HG2   LYS+ 112 - HB3   PHE   95  12.14 +/- 1.54   1.161% *  0.9870% (0.31   0.02   0.02) =   0.016%
    Distance limit 3.61 A violated in 13 structures by 1.25 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.6:
          QG2   VAL  107 - HB2   PHE   95   3.73 +/- 0.70  93.810% * 94.2645% (0.34   3.59  45.66) =  99.906%  kept
          HG13  ILE  119 - HB2   PHE   95   7.12 +/- 1.18   5.847% *  1.3792% (0.90   0.02   0.02) =   0.091%
          HG2   LYS+ 121 - HB2   PHE   95  11.93 +/- 1.13   0.161% *  0.8707% (0.57   0.02   0.02) =   0.002%
          QB    ALA   20 - HB2   PHE   95  14.34 +/- 0.88   0.052% *  1.4197% (0.92   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PHE   95  13.05 +/- 1.00   0.078% *  0.4276% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  16.70 +/- 0.94   0.019% *  1.3340% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  15.30 +/- 1.74   0.031% *  0.3043% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 2 structures by 0.29 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.7:
        T HB    VAL  107 - HB2   PHE   95   2.74 +/- 0.83  99.645% * 99.6841% (0.80 10.00   4.31  45.66) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   8.76 +/- 0.53   0.294% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  11.41 +/- 1.46   0.048% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.28 +/- 0.78   0.005% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.27 +/- 0.95   0.002% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.71 +/- 0.66   0.005% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 5.5:
          QD1   ILE   89 - QG2   THR   94   1.97 +/- 0.36  99.804% * 97.3666% (0.92   0.75   5.50) =  99.996%  kept
          QG2   VAL   83 - QG2   THR   94   6.20 +/- 1.10   0.184% *  1.9321% (0.69   0.02   0.02) =   0.004%
          QD2   LEU   31 - QG2   THR   94  10.06 +/- 0.57   0.012% *  0.7014% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.07, residual support = 2.13:
        T HA    LYS+ 106 - HA    MET   96   3.14 +/- 0.46 100.000% *100.0000% (0.97 10.00   1.07   2.13) = 100.000%  kept
    Distance limit 3.24 A violated in 1 structures by 0.15 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 46.1:
      O   HN    PHE   97 - HA    MET   96   2.23 +/- 0.05  99.994% * 99.8692% (0.88  10.0   6.07  46.07) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  11.83 +/- 0.64   0.005% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.37 +/- 0.60   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.6:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.55) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.97, residual support = 9.76:
        T QE    PHE   45 - HB2   MET   96   3.42 +/- 1.01  98.197% * 98.2920% (0.49 10.00   1.97   9.77) =  99.991%  kept
        T HZ    PHE   72 - HB2   MET   96  10.84 +/- 0.86   0.418% *  1.5671% (0.76 10.00   0.02   0.02) =   0.007%
          QD    PHE   72 - HB2   MET   96   8.94 +/- 0.76   1.385% *  0.1409% (0.69  1.00   0.02   0.02) =   0.002%
    Distance limit 3.69 A violated in 2 structures by 0.25 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 46.1:
          HN    PHE   97 - HB2   MET   96   3.90 +/- 0.26  99.911% * 99.4519% (0.92   6.07  46.07) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.30 +/- 0.70   0.048% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  14.52 +/- 0.88   0.040% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  26.95 +/- 1.66   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.07, residual support = 115.6:
      O   HN    MET   96 - HB2   MET   96   3.00 +/- 0.23 100.000% *100.0000% (0.65  10.0   4.07 115.55) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3051 (6.72, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.671, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  11.39 +/- 0.86  23.936% * 81.6578% (0.99   0.02   0.02) =  58.350%  kept
          QD    PHE   72 - HB3   MET   96   9.32 +/- 0.72  76.064% * 18.3422% (0.22   0.02   0.02) =  41.650%  kept
    Distance limit 3.55 A violated in 20 structures by 5.35 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.6:
      O   HN    MET   96 - HB3   MET   96   2.51 +/- 0.18 100.000% *100.0000% (0.65  10.0   3.97 115.55) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   3.09 +/- 0.62  98.549% * 94.5898% (0.73   2.00  16.41) =  99.986%  kept
          QG1   VAL   41 - HB2   MET   96   7.65 +/- 0.53   0.756% *  0.6853% (0.53   0.02   0.02) =   0.006%
          QD2   LEU  104 - HB2   MET   96   8.35 +/- 1.25   0.468% *  1.0431% (0.80   0.02   0.02) =   0.005%
          QG2   THR   46 - HB2   MET   96  10.41 +/- 0.93   0.128% *  1.2768% (0.98   0.02   0.02) =   0.002%
          QG2   VAL   18 - HB2   MET   96  11.47 +/- 1.09   0.066% *  1.2025% (0.92   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   MET   96  12.62 +/- 0.88   0.033% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.793, support = 0.02, residual support = 1.25:
          QD1   ILE   89 - HB2   MET   96   5.66 +/- 0.89  62.209% * 27.1168% (0.69   0.02   2.25) =  55.054%  kept
          QG2   VAL   83 - HB2   MET   96   7.21 +/- 1.25  19.429% * 36.4416% (0.92   0.02   0.02) =  23.108%  kept
          QD2   LEU   31 - HB2   MET   96   7.38 +/- 0.74  18.362% * 36.4416% (0.92   0.02   0.02) =  21.838%  kept
    Distance limit 3.80 A violated in 16 structures by 1.37 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.25:
        T QD1   ILE   89 - HB3   MET   96   4.61 +/- 0.92  86.985% * 99.8407% (0.69 10.00   0.75   2.25) =  99.976%  kept
          QG2   VAL   83 - HB3   MET   96   6.85 +/- 1.11  13.015% *  0.1593% (0.41  1.00   0.02   0.02) =   0.024%
    Distance limit 3.79 A violated in 8 structures by 0.87 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 46.1:
          HN    PHE   97 - HG2   MET   96   3.87 +/- 0.44  99.243% * 99.1286% (0.92   5.60  46.07) =  99.999%  kept
          HN    LEU  115 - HB2   PRO   52  11.25 +/- 1.71   0.660% *  0.1041% (0.27   0.02   0.02) =   0.001%
          HN    LEU  115 - HG2   MET   96  14.53 +/- 0.84   0.044% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  15.28 +/- 1.32   0.038% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  17.54 +/- 1.29   0.015% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.70 +/- 1.63   0.001% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  36.09 +/- 1.63   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.27 +/- 1.28   0.001% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.02, residual support = 46.1:
          HN    PHE   97 - HG3   MET   96   3.22 +/- 0.54  99.974% * 99.5664% (0.54   6.02  46.07) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.02 +/- 0.93   0.020% *  0.3310% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.48 +/- 0.96   0.006% *  0.1026% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.438, support = 2.14, residual support = 7.02:
          HG13  ILE  103 - HG2   MET   96   3.77 +/- 2.31  81.044% * 35.3779% (0.25   2.51   8.70) =  74.586%  kept
          QG2   THR   94 - HG2   MET   96   5.29 +/- 0.82  16.241% * 60.1043% (0.99   1.07   2.08) =  25.394%  kept
          HB3   LYS+ 112 - HB2   PRO   52  10.87 +/- 2.28   1.425% *  0.3260% (0.29   0.02   0.02) =   0.012%
          HD2   LYS+ 112 - HB2   PRO   52  11.21 +/- 2.15   0.532% *  0.2885% (0.25   0.02   0.02) =   0.004%
          QG2   THR   94 - HB2   PRO   52   9.81 +/- 1.18   0.230% *  0.3296% (0.29   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HB2   PRO   52   8.91 +/- 1.29   0.486% *  0.0513% (0.05   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   MET   96  14.03 +/- 1.30   0.024% *  0.9066% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  19.25 +/- 1.17   0.004% *  1.1098% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  20.75 +/- 1.27   0.002% *  0.9821% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.63 +/- 1.61   0.009% *  0.1747% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  24.98 +/- 1.31   0.001% *  0.2663% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  20.24 +/- 1.91   0.002% *  0.0829% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.795, support = 2.53, residual support = 8.7:
          QG2   ILE  103 - HG2   MET   96   4.30 +/- 1.25  31.779% * 73.0767% (1.00   2.91   8.70) =  60.296%  kept
          QD1   ILE  103 - HG2   MET   96   3.70 +/- 1.61  63.712% * 23.9774% (0.49   1.96   8.70) =  39.664%  kept
          QD2   LEU   40 - HG2   MET   96   8.07 +/- 0.67   2.302% *  0.4755% (0.95   0.02   0.02) =   0.028%
          HB    VAL   75 - HG2   MET   96   9.41 +/- 0.66   1.405% *  0.1887% (0.38   0.02   0.02) =   0.007%
          QD1   LEU   67 - HG2   MET   96  11.53 +/- 0.97   0.184% *  0.4851% (0.97   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HG2   MET   96  14.67 +/- 0.48   0.071% *  0.4982% (0.99   0.02   0.02) =   0.001%
          QG2   ILE  119 - HG2   MET   96  12.92 +/- 1.18   0.190% *  0.1551% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  13.37 +/- 0.98   0.096% *  0.3049% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HB2   PRO   52  16.25 +/- 0.91   0.041% *  0.1464% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  15.01 +/- 1.27   0.076% *  0.0554% (0.11   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  18.97 +/- 1.35   0.021% *  0.1397% (0.28   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.41 +/- 1.17   0.065% *  0.0456% (0.09   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  16.89 +/- 1.18   0.020% *  0.1473% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  17.77 +/- 1.38   0.017% *  0.1425% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  17.77 +/- 1.47   0.014% *  0.0719% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.39 +/- 1.20   0.007% *  0.0896% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 1 structures by 0.30 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.271, support = 0.351, residual support = 0.522:
          HG    LEU   98 - HG3   MET   96   4.54 +/- 1.50  47.370% * 10.1890% (0.25   0.24   0.31) =  64.271%  kept
          QB    LEU   98 - HG3   MET   96   5.62 +/- 0.79   8.322% * 19.8555% (0.14   0.85   0.31) =  22.002%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.42 +/- 0.84  42.896% *  2.0853% (0.61   0.02   2.13) =  11.912%  kept
          HG3   LYS+ 102 - HG3   MET   96  11.03 +/- 1.50   0.223% * 54.0489% (0.59   0.54   0.02) =   1.608%  kept
          HB    VAL   42 - HG3   MET   96   9.33 +/- 0.61   0.379% *  1.8743% (0.54   0.02   0.02) =   0.095%
          HB3   LEU   73 - HG3   MET   96  11.00 +/- 1.13   0.155% *  1.9770% (0.57   0.02   0.02) =   0.041%
          HB3   PRO   93 - HG3   MET   96  12.23 +/- 1.09   0.166% *  1.1832% (0.34   0.02   0.02) =   0.026%
          QB    ALA   84 - HG3   MET   96  11.04 +/- 0.81   0.150% *  1.0996% (0.32   0.02   0.02) =   0.022%
          HB3   ASP-  44 - HG3   MET   96  10.16 +/- 0.56   0.308% *  0.4136% (0.12   0.02   0.02) =   0.017%
          HG3   LYS+  33 - HG3   MET   96  17.39 +/- 1.00   0.009% *  1.7457% (0.51   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HG3   MET   96  18.80 +/- 0.95   0.007% *  2.0715% (0.60   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HG3   MET   96  19.53 +/- 0.75   0.005% *  1.8743% (0.54   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  18.03 +/- 1.12   0.008% *  0.6451% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  23.03 +/- 1.55   0.002% *  0.9370% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 1 structures by 0.11 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.244, support = 2.12, residual support = 7.33:
          HG13  ILE  103 - HG3   MET   96   3.41 +/- 2.20  87.936% * 30.6736% (0.15  1.00   2.37   8.70) =  79.345%  kept
          QG2   THR   94 - HG3   MET   96   5.36 +/- 0.88  12.039% * 58.3232% (0.60  1.00   1.13   2.08) =  20.654%  kept
          HB3   LEU   71 - HG3   MET   96  14.06 +/- 1.02   0.016% *  0.8304% (0.49  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HG3   MET   96  20.37 +/- 1.01   0.001% *  8.9961% (0.53 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG3   MET   96  18.80 +/- 0.97   0.002% *  1.0166% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  16.28 +/- 1.27   0.006% *  0.1600% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.516, support = 2.57, residual support = 8.7:
          QG2   ILE  103 - HG3   MET   96   3.78 +/- 1.14  45.202% * 72.1882% (0.61   2.79   8.70) =  71.326%  kept
          QD1   ILE  103 - HG3   MET   96   3.73 +/- 1.42  51.112% * 25.6349% (0.30   2.03   8.70) =  28.640%  kept
          QD2   LEU   40 - HG3   MET   96   7.74 +/- 0.75   2.604% *  0.4912% (0.57   0.02   0.02) =   0.028%
          HB    VAL   75 - HG3   MET   96   9.90 +/- 0.53   0.555% *  0.1949% (0.23   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG3   MET   96  11.25 +/- 1.06   0.195% *  0.5011% (0.59   0.02   0.02) =   0.002%
          QG2   ILE  119 - HG3   MET   96  12.45 +/- 1.08   0.220% *  0.1603% (0.19   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG3   MET   96  14.92 +/- 0.47   0.045% *  0.5146% (0.60   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  13.39 +/- 1.13   0.067% *  0.3149% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.48, residual support = 11.0:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.00 100.000% *100.0000% (0.80  10.0   3.48  11.04) = 100.000%  kept
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.74, residual support = 62.6:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  99.987% * 99.8692% (0.90  10.0   4.74  62.65) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.51 +/- 0.61   0.011% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.26 +/- 0.71   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.6:
      O T QD    PHE   97 - HB2   PHE   97   2.42 +/- 0.14  99.979% * 99.9164% (0.45  10.0 10.00   2.44  62.65) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  10.39 +/- 1.19   0.021% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.25, residual support = 54.4:
          HN    ASP- 105 - HB2   PHE   97   2.48 +/- 0.60  99.996% * 99.8906% (0.95   7.25  54.43) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  15.81 +/- 1.05   0.004% *  0.1094% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 1 structures by 0.05 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.85, residual support = 62.6:
      O   HN    PHE   97 - HB2   PHE   97   2.50 +/- 0.41  99.984% * 99.8692% (0.90  10.0   4.85  62.65) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  11.90 +/- 0.83   0.014% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.56 +/- 0.94   0.003% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.97, support = 3.45, residual support = 49.4:
        T HB3   ASP- 105 - HB2   PHE   97   3.80 +/- 0.96  72.547% * 67.0444% (0.99 10.00   3.74  54.43) =  88.730%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.13 +/- 0.88  19.025% * 32.4605% (0.80 10.00   1.20  10.06) =  11.266%  kept
          HB    ILE  103 - HB2   PHE   97   7.13 +/- 0.70   2.184% *  0.0676% (1.00  1.00   0.02   1.39) =   0.003%
          HG12  ILE  103 - HB2   PHE   97   6.08 +/- 1.32   6.035% *  0.0134% (0.20  1.00   0.02   1.39) =   0.001%
          HG    LEU  123 - HB2   PHE   97  13.07 +/- 1.34   0.088% *  0.0278% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PHE   97  15.58 +/- 1.88   0.032% *  0.0675% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.90 +/- 0.65   0.018% *  0.0640% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.64 +/- 1.04   0.024% *  0.0254% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.88 +/- 0.84   0.031% *  0.0169% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  19.28 +/- 1.15   0.005% *  0.0607% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  19.97 +/- 0.83   0.004% *  0.0565% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.45 +/- 0.70   0.003% *  0.0675% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.41 +/- 0.86   0.004% *  0.0278% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 2 structures by 0.17 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.307, support = 4.55, residual support = 16.5:
        T HB2   LEU  104 - HB2   PHE   97   3.47 +/- 0.76  60.676% * 83.8678% (0.31 10.00   4.67  17.37) =  94.443%  kept
          QG2   ILE  103 - HB2   PHE   97   4.29 +/- 0.68  22.716% *  9.9879% (0.25  1.00   2.95   1.39) =   4.211%  kept
          QD2   LEU   40 - HB2   PHE   97   4.86 +/- 0.91  13.039% *  5.5283% (0.38  1.00   1.08   0.73) =   1.338%  kept
          QD1   ILE  119 - HB2   PHE   97   8.74 +/- 1.71   2.051% *  0.1648% (0.61  1.00   0.02   1.09) =   0.006%
          QD1   LEU   67 - HB2   PHE   97   7.85 +/- 1.76   0.991% *  0.0927% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HB2   PHE   97   8.29 +/- 0.65   0.485% *  0.0538% (0.20  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  12.80 +/- 0.86   0.033% *  0.2570% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  15.71 +/- 0.82   0.009% *  0.0476% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.329, support = 1.71, residual support = 6.89:
        T QD2   LEU   40 - HB3   PHE   97   4.03 +/- 1.08  31.927% * 65.5991% (0.36 10.00   0.75   0.73) =  60.500%  kept
          HB2   LEU  104 - HB3   PHE   97   3.33 +/- 1.00  54.104% * 23.6261% (0.29  1.00   3.28  17.37) =  36.925%  kept
          QG2   ILE  103 - HB3   PHE   97   4.82 +/- 0.87   9.059% *  9.7183% (0.24  1.00   1.67   1.39) =   2.543%  kept
          QD1   ILE  119 - HB3   PHE   97   9.00 +/- 1.73   2.803% *  0.2827% (0.57  1.00   0.02   1.09) =   0.023%
          QD1   LEU   67 - HB3   PHE   97   7.27 +/- 1.73   1.796% *  0.1590% (0.32  1.00   0.02   0.02) =   0.008%
          QG2   VAL  108 - HB3   PHE   97   9.21 +/- 0.68   0.281% *  0.0922% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   PHE   97  12.96 +/- 0.98   0.023% *  0.4409% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  15.58 +/- 1.07   0.007% *  0.0816% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.6:
      O T QD    PHE   97 - HB3   PHE   97   2.64 +/- 0.15  99.971% * 99.8821% (0.87  10.0 10.00   2.74  62.65) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  10.75 +/- 1.06   0.028% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  24.72 +/- 1.48   0.000% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.12, residual support = 54.4:
          HN    ASP- 105 - HB3   PHE   97   3.12 +/- 0.84  99.983% * 99.0133% (0.46   5.12  54.43) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  16.47 +/- 0.95   0.012% *  0.6887% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.25 +/- 0.91   0.006% *  0.2980% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.2, residual support = 62.6:
      O   HN    PHE   97 - HB3   PHE   97   3.27 +/- 0.45  99.959% * 99.8692% (0.85  10.0   5.20  62.65) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  12.70 +/- 1.00   0.034% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.37 +/- 1.05   0.007% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.738, support = 2.13, residual support = 50.7:
          HB3   ASP- 105 - HB3   PHE   97   4.48 +/- 1.31  73.457% * 66.5692% (0.72  1.00   2.28  54.43) =  91.623%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.09 +/- 0.81  19.519% * 21.0857% (0.93  1.00   0.56  10.06) =   7.711%  kept
          HB    ILE  103 - HB3   PHE   97   7.47 +/- 0.90   6.294% *  5.5797% (0.65  1.00   0.21   1.39) =   0.658%  kept
          HG3   PRO   68 - HB3   PHE   97  14.79 +/- 2.40   0.257% *  0.4945% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HB3   PHE   97  14.00 +/- 0.82   0.139% *  0.5551% (0.69  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB3   PHE   97  15.17 +/- 0.79   0.079% *  0.6631% (0.82  1.00   0.02   0.02) =   0.001%
        T HB3   PRO   58 - HB3   PHE   97  17.91 +/- 1.16   0.029% *  1.7019% (0.21 10.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HB3   PHE   97  15.23 +/- 1.02   0.067% *  0.6631% (0.82  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HB3   PHE   97  14.71 +/- 0.81   0.099% *  0.4022% (0.50  1.00   0.02   0.02) =   0.001%
          HB3   GLN   90 - HB3   PHE   97  20.08 +/- 1.09   0.014% *  0.7057% (0.87  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  20.29 +/- 0.93   0.012% *  0.7377% (0.91  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  17.54 +/- 1.27   0.025% *  0.2869% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  21.88 +/- 1.12   0.008% *  0.5551% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 3 structures by 0.47 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.279, support = 4.39, residual support = 26.5:
          HG12  ILE  103 - HA    LEU   98   3.45 +/- 1.31  83.347% * 51.4844% (0.25   4.67  27.53) =  91.984%  kept
          HB    VAL   41 - HA    LEU   98   5.66 +/- 1.18   8.896% * 24.8723% (0.38   1.50  24.13) =   4.743%  kept
          QB    LYS+ 102 - HA    LEU   98   5.14 +/- 0.38   7.587% * 20.1037% (0.98   0.46   2.02) =   3.270%  kept
          HB2   LEU   71 - HA    LEU   98  10.56 +/- 0.86   0.131% *  0.8817% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    LEU   98  13.64 +/- 0.92   0.024% *  0.5003% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  16.61 +/- 0.45   0.007% *  0.8836% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.67 +/- 0.71   0.004% *  0.7381% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  18.97 +/- 0.94   0.004% *  0.5359% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 1 structures by 0.06 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 2.94, residual support = 27.3:
          HA    ILE  103 - HA    LEU   98   2.25 +/- 0.98  94.810% * 82.1525% (0.73   2.96  27.53) =  99.152%  kept
          HA    LEU  104 - HA    LEU   98   5.30 +/- 0.56   5.159% * 12.9161% (0.28   1.21   4.58) =   0.848%  kept
          HA    THR   39 - HA    LEU   98  10.22 +/- 0.56   0.022% *  0.2127% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    LEU   98  11.04 +/- 0.49   0.007% *  0.6862% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  15.33 +/- 1.21   0.001% *  0.5556% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  18.20 +/- 1.25   0.000% *  0.6391% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  19.79 +/- 0.84   0.000% *  0.6391% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  21.47 +/- 1.35   0.000% *  0.4950% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  25.69 +/- 1.48   0.000% *  0.5848% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  22.66 +/- 0.94   0.000% *  0.2610% (0.34   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  27.31 +/- 1.97   0.000% *  0.7063% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.27 +/- 0.48   0.000% *  0.1514% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 0.306:
          HN    ASP- 105 - HA    LEU   98   5.23 +/- 0.55  99.826% * 71.5947% (0.95   0.02   0.31) =  99.931%  kept
          HN    ALA   88 - HA    LEU   98  15.74 +/- 1.23   0.174% * 28.4053% (0.38   0.02   0.02) =   0.069%
    Distance limit 3.82 A violated in 18 structures by 1.41 A, eliminated.
    Peak unassigned.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.18, residual support = 17.1:
      O   HN    LYS+  99 - HA    LEU   98   2.28 +/- 0.06  99.826% * 99.7964% (0.80  10.0   4.18  17.10) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98   9.45 +/- 3.42   0.168% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.72 +/- 0.75   0.006% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  21.21 +/- 1.20   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.08, residual support = 4.58:
          HN    LEU  104 - HA    LEU   98   3.27 +/- 0.73  99.911% * 99.3736% (0.92   2.08   4.58) =  99.999%  kept
          HN    PHE   72 - HA    LEU   98  12.16 +/- 0.51   0.089% *  0.6264% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.31 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 82.4:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98  10.0   5.21  82.44) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.438, support = 3.05, residual support = 24.5:
        T HB    VAL   41 - QB    LEU   98   3.06 +/- 1.27  63.940% * 72.8568% (0.42 10.00   2.96  24.13) =  88.014%  kept
          HG12  ILE  103 - QB    LEU   98   3.67 +/- 1.49  33.975% * 18.3044% (0.56  1.00   3.78  27.53) =  11.750%  kept
          HB    ILE  103 - QB    LEU   98   5.50 +/- 1.06   1.792% *  6.9247% (0.60  1.00   1.35  27.53) =   0.234%
        T QB    LYS+ 106 - QB    LEU   98   7.80 +/- 0.54   0.151% *  0.4620% (0.27 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98  10.02 +/- 0.68   0.039% *  0.7286% (0.42 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QB    LEU   98   8.87 +/- 0.87   0.088% *  0.0908% (0.53  1.00   0.02   0.31) =   0.000%
          QB    LYS+  66 - QB    LEU   98  12.72 +/- 0.85   0.008% *  0.0462% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  15.29 +/- 1.10   0.003% *  0.1087% (0.63  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  16.48 +/- 1.36   0.001% *  0.1342% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  16.50 +/- 0.84   0.002% *  0.0511% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  18.26 +/- 1.10   0.001% *  0.0615% (0.36  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  21.11 +/- 0.68   0.000% *  0.1342% (0.78  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.45 +/- 0.88   0.000% *  0.0968% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.81, residual support = 17.1:
          HN    LYS+  99 - QB    LEU   98   3.00 +/- 0.19  99.524% * 97.3253% (0.27   3.81  17.10) =  99.996%  kept
          HN    ASN   35 - QB    LEU   98   8.63 +/- 0.65   0.235% *  1.3840% (0.72   0.02   0.02) =   0.003%
          HE1   HIS  122 - QB    LEU   98   9.77 +/- 2.78   0.237% *  0.4132% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    LEU   98  17.84 +/- 1.41   0.003% *  0.2557% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  21.93 +/- 1.31   0.001% *  0.6219% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.87, residual support = 24.1:
          HN    VAL   41 - QB    LEU   98   3.46 +/- 0.29 100.000% *100.0000% (0.85   2.87  24.13) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.17, residual support = 82.4:
      O   HN    LEU   98 - QB    LEU   98   2.69 +/- 0.24 100.000% *100.0000% (0.85  10.0   5.17  82.44) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 82.4:
      O   HA    LEU   98 - HG    LEU   98   3.11 +/- 0.55 100.000% *100.0000% (0.69  10.0   4.04  82.44) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.06, residual support = 82.4:
          HN    LEU   98 - HG    LEU   98   3.19 +/- 0.63 100.000% *100.0000% (0.98   4.06  82.44) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.297, support = 3.49, residual support = 25.4:
        T HA    ILE  103 - QD1   LEU   98   3.00 +/- 0.90  94.904% * 32.9164% (0.25 10.00   3.71  27.53) =  90.806%  kept
        T HA    LEU  104 - QD1   LEU   98   6.36 +/- 0.53   4.757% * 66.4858% (0.76 10.00   1.32   4.58) =   9.193%  kept
          HA    ASP-  44 - QD1   LEU   98   8.70 +/- 1.45   0.217% *  0.0543% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  10.32 +/- 1.29   0.087% *  0.1317% (1.00  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  12.92 +/- 1.40   0.021% *  0.0450% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  18.44 +/- 1.04   0.003% *  0.1317% (1.00  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  14.74 +/- 1.24   0.009% *  0.0450% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  21.93 +/- 1.44   0.001% *  0.1308% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  23.32 +/- 1.70   0.001% *  0.0592% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.792, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98   8.58 +/- 1.29  69.052% * 33.8723% (0.84   0.02   0.02) =  75.197%  kept
          QD    PHE   59 - QD1   LEU   98  12.19 +/- 1.34  11.654% * 33.8723% (0.84   0.02   0.02) =  12.691%  kept
          HE21  GLN   30 - QD1   LEU   98  10.84 +/- 0.86  18.729% * 19.7390% (0.49   0.02   0.02) =  11.885%  kept
          HH2   TRP   49 - QD1   LEU   98  20.18 +/- 2.15   0.565% * 12.5164% (0.31   0.02   0.02) =   0.227%
    Distance limit 3.46 A violated in 20 structures by 4.50 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 17.0:
        T QD1   LEU  104 - HB2   LYS+  99   2.51 +/- 1.08  98.652% * 98.4796% (0.69 10.00   2.96  16.99) =  99.997%  kept
        T QD1   LEU   63 - HB2   LYS+  99  10.46 +/- 1.09   0.750% *  0.2212% (0.15 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - HB2   LYS+  99  10.51 +/- 0.88   0.417% *  0.2212% (0.15 10.00   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HB2   LYS+  99  16.55 +/- 0.53   0.019% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  15.08 +/- 1.31   0.105% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  15.04 +/- 1.06   0.030% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  16.79 +/- 1.96   0.028% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.57, residual support = 13.0:
        T QD2   LEU   40 - HB2   LYS+  99   3.55 +/- 0.95  92.030% * 96.7033% (0.95 10.00   2.57  13.07) =  99.856%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.75 +/- 0.40   4.313% *  2.9151% (1.00  1.00   0.57   0.02) =   0.141%
          QD1   LEU   67 - HB2   LYS+  99   8.86 +/- 2.02   1.538% *  0.0987% (0.97  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   LYS+  99   7.77 +/- 0.55   1.821% *  0.0498% (0.49  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LYS+  99  11.45 +/- 1.11   0.157% *  0.0620% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  12.18 +/- 1.36   0.120% *  0.0316% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  19.42 +/- 1.20   0.007% *  0.1013% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  16.97 +/- 0.74   0.016% *  0.0384% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 6 structures by 0.37 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.77, residual support = 172.8:
      O   HN    LYS+  99 - HB2   LYS+  99   2.89 +/- 0.32  96.517% * 99.4797% (0.31  10.0   4.78 172.83) =  99.997%  kept
          HE1   HIS  122 - HB2   LYS+  99   8.30 +/- 3.83   3.453% *  0.0804% (0.25   1.0   0.02   0.02) =   0.003%
          HN    ASN   35 - HB2   LYS+  99  11.93 +/- 0.61   0.029% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  20.51 +/- 1.34   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  25.01 +/- 1.51   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.16, residual support = 172.8:
      O   HN    LYS+  99 - HA    LYS+  99   2.92 +/- 0.02  98.522% * 99.7964% (0.80  10.0   5.16 172.83) =  99.999%  kept
          HE1   HIS  122 - HA    LYS+  99   9.10 +/- 3.41   1.386% *  0.0905% (0.73   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    LYS+  99   9.51 +/- 0.54   0.090% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  18.47 +/- 1.32   0.002% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.8:
      O   HN    GLU- 100 - HA    LYS+  99   2.18 +/- 0.00 100.000% *100.0000% (0.84  10.0   6.83  39.77) = 100.000%  kept
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3095 (3.01, 1.33, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.847, support = 5.11, residual support = 181.7:
      O   QE    LYS+  99 - HG2   LYS+  99   2.54 +/- 0.52  51.387% * 79.1619% (0.99  10.0   5.24 172.83) =  80.323%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.55 +/- 0.47  48.396% * 20.5905% (0.26  10.0   4.58 217.82) =  19.676%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.75 +/- 1.12   0.090% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   8.73 +/- 1.43   0.060% *  0.0610% (0.76   1.0   0.02   1.49) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.84 +/- 0.96   0.035% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.08 +/- 0.54   0.019% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  11.91 +/- 1.53   0.010% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  17.37 +/- 1.31   0.000% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.10 +/- 0.67   0.001% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.90 +/- 0.81   0.000% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.06, residual support = 172.8:
      O T HA    LYS+  99 - HG2   LYS+  99   2.75 +/- 0.42  72.679% * 98.9579% (0.84  10.0 10.00   7.06 172.83) =  99.981%  kept
          HA    LEU   40 - HG2   LYS+  99   3.83 +/- 0.74  13.053% *  0.0671% (0.57   1.0  1.00   0.02  13.07) =   0.012%
          HA    ASN   35 - HG2   LYS+  38   4.14 +/- 1.09  13.893% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.006%
        T HA    LYS+  99 - HG2   LYS+  38   8.55 +/- 0.64   0.147% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG2   LYS+  99   9.21 +/- 0.48   0.062% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.10 +/- 0.48   0.150% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  13.96 +/- 1.78   0.009% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  16.04 +/- 1.69   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  22.81 +/- 1.25   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.36 +/- 1.84   0.002% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  20.68 +/- 2.34   0.001% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  20.46 +/- 1.76   0.000% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  22.80 +/- 0.89   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.33 +/- 1.05   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  19.00 +/- 2.32   0.001% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  28.97 +/- 1.03   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.57 +/- 0.82   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.42 +/- 1.14   0.000% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.117, support = 4.86, residual support = 11.2:
          HA    SER   37 - HA    LYS+  38   5.21 +/- 0.02  31.124% * 43.4228% (0.05  1.00   5.54  12.81) =  87.425%  kept
          HA    LEU   40 - HA    GLU- 100   4.81 +/- 0.60  53.536% *  2.7170% (0.80  1.00   0.02   0.02) =   9.409%  kept
          HA    LEU   40 - HA    LYS+  38   6.09 +/- 0.05  12.298% *  3.4888% (0.05  1.00   0.43   0.02) =   2.776%  kept
          HA    SER   37 - HA    GLU- 100   8.51 +/- 0.81   2.015% *  2.5931% (0.76  1.00   0.02   0.02) =   0.338%
          HA    VAL   42 - HA    GLU- 100  10.21 +/- 0.75   0.571% *  0.7554% (0.22  1.00   0.02   0.02) =   0.028%
          HA    GLU-  15 - HA    GLU- 100  16.09 +/- 1.71   0.042% *  3.2098% (0.95  1.00   0.02   0.02) =   0.009%
        T HA    PRO   58 - HA    GLU- 100  24.57 +/- 0.95   0.003% * 31.3227% (0.92 10.00   0.02   0.02) =   0.006%
          HA    GLN   17 - HA    GLU- 100  18.38 +/- 1.42   0.018% *  2.5931% (0.76  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HA    GLU- 100  20.09 +/- 1.89   0.011% *  3.2098% (0.95  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HA    GLU- 100  18.21 +/- 1.78   0.022% *  0.6715% (0.20  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  14.83 +/- 1.70   0.071% *  0.1940% (0.06  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.23 +/- 0.70   0.004% *  2.8342% (0.84  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  11.98 +/- 0.18   0.216% *  0.0456% (0.01  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HA    LYS+  38  18.01 +/- 1.98   0.024% *  0.1940% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    PRO   58 - HA    LYS+  38  25.53 +/- 0.94   0.002% *  1.8927% (0.06 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  18.06 +/- 1.53   0.021% *  0.1567% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  25.25 +/- 1.24   0.002% *  0.4592% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  19.33 +/- 2.03   0.016% *  0.0406% (0.01  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.72 +/- 0.34   0.003% *  0.1713% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  26.88 +/- 0.92   0.002% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 5 structures by 0.77 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.05 +/- 0.32  97.886% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   6.25 +/- 0.71   2.114% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.7:
      O   HN    GLU- 100 - HA    GLU- 100   2.22 +/- 0.08  98.015% * 99.9940% (0.84  10.0   6.39  75.74) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   4.67 +/- 0.69   1.985% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  12.56 +/- 0.89  11.435% * 28.3278% (1.00 10.00   0.02   0.02) =  52.069%  kept
        T HA    GLN   32 - HB2   GLU- 100  12.04 +/- 1.02  15.472% *  8.7627% (0.31 10.00   0.02   0.02) =  21.794%  kept
          HA    VAL   70 - HB2   GLU- 100  10.83 +/- 0.59  28.382% *  2.3714% (0.84  1.00   0.02   0.02) =  10.819%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.62 +/- 0.95   2.126% * 27.8286% (0.98 10.00   0.02   0.02) =   9.511%  kept
          HB2   SER   37 - HB2   GLU- 100  10.16 +/- 0.67  40.434% *  0.5618% (0.20  1.00   0.02   0.02) =   3.652%  kept
        T HA    GLN  116 - HB2   GLU- 100  22.18 +/- 0.97   0.389% * 23.7140% (0.84 10.00   0.02   0.02) =   1.483%  kept
          HA    VAL   18 - HB2   GLU- 100  18.38 +/- 0.64   1.192% *  2.7399% (0.97  1.00   0.02   0.02) =   0.525%  kept
          HB2   SER   82 - HB2   GLU- 100  24.62 +/- 1.52   0.216% *  2.6208% (0.92  1.00   0.02   0.02) =   0.091%
          HA    ALA   88 - HB2   GLU- 100  24.31 +/- 1.56   0.242% *  0.9684% (0.34  1.00   0.02   0.02) =   0.038%
          HA    SER   48 - HB2   GLU- 100  30.61 +/- 0.95   0.056% *  1.6074% (0.57  1.00   0.02   0.02) =   0.015%
          HD2   PRO   52 - HB2   GLU- 100  30.69 +/- 0.52   0.055% *  0.4972% (0.18  1.00   0.02   0.02) =   0.004%
    Distance limit 3.30 A violated in 20 structures by 5.41 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.446, support = 5.27, residual support = 39.6:
          HG2   LYS+  99 - HG2   GLU- 100   4.22 +/- 0.88  53.065% * 97.5037% (0.45   5.29  39.77) =  99.580%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.49 +/- 1.19  46.876% *  0.4651% (0.57   0.02   0.02) =   0.420%
          HB2   LEU   31 - HG2   GLU- 100  12.20 +/- 1.08   0.052% *  0.1439% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.02 +/- 0.81   0.002% *  0.8052% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  21.17 +/- 1.19   0.002% *  0.7367% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  20.10 +/- 1.11   0.002% *  0.1626% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  27.64 +/- 1.84   0.000% *  0.1829% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 9 structures by 0.97 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.08, residual support = 39.7:
          HG2   LYS+  99 - HG3   GLU- 100   3.01 +/- 1.16  83.871% * 96.7916% (0.45   4.09  39.77) =  99.882%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.59 +/- 1.23  16.085% *  0.5977% (0.57   0.02   0.02) =   0.118%
          HB2   LEU   31 - HG3   GLU- 100  12.07 +/- 1.06   0.040% *  0.1849% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.23 +/- 0.84   0.001% *  1.0349% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  20.36 +/- 1.32   0.001% *  0.9469% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  19.77 +/- 0.93   0.001% *  0.2089% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.34 +/- 1.75   0.000% *  0.2351% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 3 structures by 0.36 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.7:
      O   HA    GLU- 100 - HG3   GLU- 100   2.82 +/- 0.37  91.594% * 99.7364% (1.00  10.0   4.46  75.74) =  99.998%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.45 +/- 0.94   8.405% *  0.0198% (0.20   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HG3   GLU- 100  20.68 +/- 1.25   0.001% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  26.43 +/- 1.15   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.03 +/- 1.10   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.31, residual support = 75.7:
          HN    GLU- 100 - HG3   GLU- 100   2.69 +/- 0.52 100.000% *100.0000% (0.97   4.31  75.74) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.48, residual support = 75.7:
          HN    GLU- 100 - HG2   GLU- 100   3.56 +/- 0.62 100.000% *100.0000% (0.84   6.48  75.74) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 159.9:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.52 +/- 0.13  99.450% * 99.6342% (1.00  10.0   4.65 159.89) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.43 +/- 1.26   0.282% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   7.47 +/- 0.76   0.195% *  0.0272% (0.27   1.0   0.02   0.13) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.68 +/- 0.87   0.039% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  10.96 +/- 1.30   0.018% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.00 +/- 1.04   0.006% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  14.84 +/- 1.56   0.003% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  13.10 +/- 1.00   0.006% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.12 +/- 0.41  99.761% * 98.9465% (1.00   5.46  22.39) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41   9.08 +/- 1.40   0.223% *  0.1629% (0.45   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  19.39 +/- 1.27   0.002% *  0.3430% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  18.29 +/- 0.69   0.003% *  0.1908% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  18.45 +/- 0.86   0.003% *  0.1541% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  18.97 +/- 0.96   0.002% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  17.99 +/- 1.02   0.004% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  20.48 +/- 1.96   0.002% *  0.0807% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.41, residual support = 159.9:
          HN    LYS+ 102 - HG2   LYS+ 102   3.52 +/- 0.48  99.108% * 99.2110% (0.73   4.41 159.89) =  99.998%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.94 +/- 1.41   0.773% *  0.2324% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HG2   LYS+ 102  14.00 +/- 1.64   0.034% *  0.3257% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  12.23 +/- 1.52   0.073% *  0.1084% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  17.30 +/- 1.94   0.013% *  0.1225% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.596, support = 0.0198, residual support = 0.0198:
        T QB    SER  117 - HA    ILE  103  13.56 +/- 0.92  13.234% *  7.5887% (0.34 10.00   0.02   0.02) =  34.096%  kept
        T QB    SER   85 - HA    ILE  103  16.81 +/- 1.31   3.891% * 19.9520% (0.90 10.00   0.02   0.02) =  26.355%  kept
          HB    THR   94 - HA    ILE  103  13.33 +/- 0.88  14.256% *  1.7002% (0.76  1.00   0.02   0.02) =   8.229%  kept
          HA    LYS+ 121 - HA    ILE  103  13.30 +/- 0.85  14.981% *  1.5282% (0.69  1.00   0.02   0.02) =   7.773%  kept
          HA2   GLY   16 - HA    THR   39  12.56 +/- 2.63  29.013% *  0.6592% (0.30  1.00   0.02   0.02) =   6.493%  kept
        T QB    SER   48 - HA    ILE  103  22.37 +/- 1.51   0.644% * 19.2979% (0.87 10.00   0.02   0.02) =   4.221%  kept
          HA    ALA  120 - HA    ILE  103  16.05 +/- 0.79   4.706% *  2.2050% (0.99  1.00   0.02   0.02) =   3.523%  kept
          HA    LYS+  65 - HA    THR   39  15.10 +/- 1.17   6.543% *  0.6139% (0.28  1.00   0.02   0.02) =   1.364%  kept
        T QB    SER  117 - HA    THR   39  19.55 +/- 0.99   1.418% *  2.5072% (0.11 10.00   0.02   0.02) =   1.207%  kept
          HA    LYS+  65 - HA    ILE  103  19.25 +/- 1.23   1.581% *  1.8582% (0.84  1.00   0.02   0.02) =   0.998%  kept
        T HA2   GLY   51 - HA    ILE  103  26.66 +/- 0.88   0.216% * 13.4936% (0.61 10.00   0.02   0.02) =   0.988%  kept
        T QB    SER   85 - HA    THR   39  23.94 +/- 0.79   0.426% *  6.5917% (0.30 10.00   0.02   0.02) =   0.952%  kept
        T HD2   PRO   52 - HA    ILE  103  23.32 +/- 0.92   0.487% *  5.5474% (0.25 10.00   0.02   0.02) =   0.917%  kept
          HA2   GLY   16 - HA    ILE  103  19.75 +/- 1.80   1.288% *  1.9952% (0.90  1.00   0.02   0.02) =   0.872%  kept
          HA    ALA  120 - HA    THR   39  17.91 +/- 1.45   2.569% *  0.7285% (0.33  1.00   0.02   0.02) =   0.635%  kept
          HA    LYS+ 121 - HA    THR   39  16.94 +/- 1.24   3.576% *  0.5049% (0.23  1.00   0.02   0.02) =   0.613%  kept
        T QB    SER   48 - HA    THR   39  26.90 +/- 0.42   0.200% *  6.3756% (0.29 10.00   0.02   0.02) =   0.433%
          HB    THR   94 - HA    THR   39  21.42 +/- 0.60   0.785% *  0.5617% (0.25  1.00   0.02   0.02) =   0.150%
        T HA2   GLY   51 - HA    THR   39  31.89 +/- 0.56   0.072% *  4.4580% (0.20 10.00   0.02   0.02) =   0.109%
        T HD2   PRO   52 - HA    THR   39  29.50 +/- 0.55   0.115% *  1.8327% (0.08 10.00   0.02   0.02) =   0.072%
    Distance limit 3.05 A violated in 20 structures by 6.41 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.0, residual support = 37.2:
      O   HN    LEU  104 - HA    ILE  103   2.28 +/- 0.10  99.976% * 99.8797% (0.92  10.0   6.00  37.25) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.71 +/- 0.51   0.018% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.06 +/- 1.14   0.002% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.53 +/- 0.71   0.004% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.75, residual support = 38.2:
      O   HN    THR   39 - HA    THR   39   2.86 +/- 0.02  96.023% * 72.7073% (0.33  10.0   3.75  38.37) =  98.631%  kept
          HN    LYS+ 102 - HA    ILE  103   4.96 +/- 0.23   3.693% * 26.2359% (0.65   1.0   3.65  22.39) =   1.369%  kept
          HN    GLU-  36 - HA    THR   39   8.29 +/- 0.16   0.163% *  0.0613% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.75 +/- 1.27   0.080% *  0.0475% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.73 +/- 1.45   0.015% *  0.2215% (1.00   1.0   0.02   0.22) =   0.000%
          HN    THR   39 - HA    ILE  103  12.87 +/- 0.62   0.012% *  0.2201% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.47 +/- 0.58   0.004% *  0.1855% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.02 +/- 1.33   0.002% *  0.1081% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.97 +/- 0.69   0.002% *  0.0357% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  18.35 +/- 1.44   0.002% *  0.0439% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.09 +/- 1.16   0.002% *  0.0343% (0.15   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.60 +/- 0.67   0.001% *  0.0732% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.08 +/- 0.86   0.001% *  0.0113% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.09 +/- 0.78   0.000% *  0.0145% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 3.71, residual support = 27.5:
        T QD1   LEU   98 - HA    ILE  103   3.00 +/- 0.90  97.497% * 99.6453% (0.41 10.00   3.71  27.53) =  99.999%  kept
          QD1   LEU   98 - HA    THR   39  10.00 +/- 0.89   2.361% *  0.0329% (0.14  1.00   0.02   0.02) =   0.001%
          QG2   ILE   19 - HA    THR   39  11.42 +/- 0.85   0.129% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.91 +/- 1.24   0.013% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 1 structures by 0.19 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.4, support = 2.29, residual support = 3.79:
          HN    ASP- 105 - QG2   ILE  103   3.41 +/- 0.39  97.232% * 25.5540% (0.38   2.22   2.39) =  92.998%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.45 +/- 0.14   2.531% * 73.8933% (0.73   3.31  22.39) =   7.001%  kept
          HD1   TRP   87 - QG2   ILE  103  10.02 +/- 1.43   0.189% *  0.1216% (0.20   0.02   0.22) =   0.001%
          HN    GLU-  36 - QG2   ILE  103  15.47 +/- 0.48   0.014% *  0.3234% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.32 +/- 0.43   0.034% *  0.1076% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.65, residual support = 37.2:
          HN    LEU  104 - QG2   ILE  103   2.41 +/- 0.34  99.995% * 99.9413% (0.90   6.65  37.25) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.41 +/- 0.61   0.005% *  0.0587% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.73, residual support = 138.3:
      O   HN    ILE  103 - HB    ILE  103   2.13 +/- 0.05  99.999% * 99.8308% (1.00  10.0   6.73 138.30) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  16.96 +/- 1.85   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.76 +/- 1.18   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  19.61 +/- 2.46   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 138.3:
      O T HA    ILE  103 - HG12  ILE  103   2.16 +/- 0.17  99.815% * 97.9216% (0.20  10.0 10.00   5.98 138.30) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.27 +/- 0.18   0.173% *  0.3001% (0.61   1.0  1.00   0.02  37.25) =   0.001%
          HA    ASP-  86 - HG12  ILE  103  12.97 +/- 1.99   0.004% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  10.93 +/- 2.02   0.007% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  15.86 +/- 2.01   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  18.33 +/- 1.93   0.000% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  23.72 +/- 2.05   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.00 +/- 2.13   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  29.64 +/- 2.51   0.000% *  0.1761% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.94, residual support = 138.3:
          HN    ILE  103 - HG12  ILE  103   3.22 +/- 0.26  99.975% * 99.5136% (0.80   6.94 138.30) = 100.000%  kept
          HN    GLN   90 - HG12  ILE  103  15.95 +/- 1.89   0.009% *  0.2715% (0.76   0.02   0.02) =   0.000%
          HN    GLY  109 - HG12  ILE  103  15.33 +/- 1.37   0.011% *  0.1510% (0.42   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  18.11 +/- 2.42   0.004% *  0.0639% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.3:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.989% * 99.2748% (0.58  10.0 10.00   4.31 138.30) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.70 +/- 1.27   0.009% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.74 +/- 1.71   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.46 +/- 0.96   0.001% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.63 +/- 1.11   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  23.27 +/- 1.21   0.000% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 4.79, residual support = 138.3:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.02  86.810% * 32.5765% (0.39  10.0 10.00   4.62 138.30) =  76.421%  kept
      O T QG2   ILE  103 - HG12  ILE  103   2.97 +/- 0.16  13.066% * 66.7776% (0.80  10.0 10.00   5.31 138.30) =  23.579%  kept
          QD2   LEU   40 - HG12  ILE  103   6.81 +/- 1.00   0.112% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.27 +/- 1.56   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  11.43 +/- 1.44   0.005% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  12.83 +/- 2.23   0.003% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  13.62 +/- 1.04   0.002% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  17.43 +/- 2.06   0.000% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.24, residual support = 27.5:
          QD1   LEU   98 - HG12  ILE  103   2.33 +/- 1.48  99.967% * 99.7254% (0.72   5.24  27.53) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.55 +/- 1.65   0.033% *  0.2746% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.745, support = 4.06, residual support = 138.3:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  56.966% * 82.5087% (0.84  10.0   3.97 138.30) =  86.327%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.30 +/- 0.31  43.031% * 17.2996% (0.18  10.0   4.66 138.30) =  13.673%  kept
          QG2   ILE  119 - HG13  ILE  103  13.53 +/- 1.12   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  103  14.09 +/- 1.60   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.48 +/- 2.03   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.3, residual support = 27.5:
          QD1   LEU   98 - HG13  ILE  103   3.27 +/- 1.55  99.937% * 99.3770% (0.90   2.30  27.53) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  15.13 +/- 1.69   0.063% *  0.6230% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 2 structures by 0.36 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.524, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  10.35 +/- 1.81  65.382% * 17.5479% (0.45   0.02   0.02) =  59.226%  kept
          HE21  GLN   30 - QD1   ILE  103  13.56 +/- 1.40  12.296% * 30.1124% (0.77   0.02   0.02) =  19.114%  kept
          QD    PHE   59 - QD1   ILE  103  12.81 +/- 1.25  20.704% * 17.5479% (0.45   0.02   0.02) =  18.755%  kept
          HH2   TRP   49 - QD1   ILE  103  19.64 +/- 2.07   1.618% * 34.7918% (0.89   0.02   0.02) =   2.906%  kept
    Distance limit 3.91 A violated in 20 structures by 5.57 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.532, support = 0.166, residual support = 0.222:
          HE3   TRP   87 - QD1   ILE  103   4.99 +/- 1.79  95.011% * 29.1434% (0.52   0.16   0.22) =  92.897%  kept
          HN    TRP   87 - QD1   ILE  103   8.79 +/- 1.76   3.594% * 57.6771% (0.67   0.25   0.22) =   6.955%  kept
          HD21  ASN   69 - QD1   ILE  103  15.58 +/- 1.26   0.542% *  4.4054% (0.63   0.02   0.02) =   0.080%
          HN    GLN   17 - QD1   ILE  103  17.17 +/- 1.32   0.172% *  5.5631% (0.80   0.02   0.02) =   0.032%
          HN    ALA   91 - QD1   ILE  103  13.51 +/- 1.61   0.428% *  1.4278% (0.21   0.02   0.02) =   0.021%
          HN    ALA   61 - QD1   ILE  103  16.17 +/- 1.29   0.252% *  1.7832% (0.26   0.02   0.02) =   0.015%
    Distance limit 3.57 A violated in 9 structures by 1.44 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 138.3:
          HN    ILE  103 - QD1   ILE  103   2.86 +/- 0.62  99.917% * 99.3975% (0.92   5.59 138.30) = 100.000%  kept
          HN    GLN   90 - QD1   ILE  103  12.62 +/- 1.55   0.031% *  0.3363% (0.87   0.02   0.02) =   0.000%
          HN    GLY  109 - QD1   ILE  103  12.62 +/- 1.13   0.037% *  0.1870% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  14.32 +/- 2.09   0.015% *  0.0791% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.3:
      O   HA    ILE  103 - HG13  ILE  103   3.11 +/- 0.26  98.603% * 99.0827% (0.73  10.0   5.40 138.30) =  99.999%  kept
          HA    LEU  104 - HG13  ILE  103   6.52 +/- 0.27   1.230% *  0.0379% (0.28   1.0   0.02  37.25) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.59 +/- 2.06   0.098% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  12.39 +/- 2.15   0.040% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  15.00 +/- 2.20   0.012% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  17.61 +/- 2.08   0.004% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  14.54 +/- 0.67   0.010% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  21.43 +/- 2.40   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.60 +/- 2.01   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.02 +/- 2.10   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  30.74 +/- 2.42   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.43 +/- 1.67   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 138.3:
          HN    ILE  103 - HG13  ILE  103   4.02 +/- 0.42  99.842% * 99.4585% (1.00   6.23 138.30) = 100.000%  kept
          HN    GLN   90 - HG13  ILE  103  14.93 +/- 2.12   0.060% *  0.3022% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HG13  ILE  103  14.12 +/- 1.60   0.079% *  0.1681% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  17.77 +/- 2.57   0.019% *  0.0711% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.37, residual support = 138.3:
          HN    ILE  103 - QG2   ILE  103   3.55 +/- 0.07  99.857% * 99.2409% (0.69   6.37 138.30) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  11.45 +/- 0.82   0.097% *  0.4375% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  13.24 +/- 1.31   0.045% *  0.2207% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  22.02 +/- 0.86   0.002% *  0.1009% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.76, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.38 +/- 0.12  99.956% * 98.7600% (0.38   4.76  22.39) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  20.34 +/- 1.28   0.011% *  1.0211% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.76 +/- 0.76   0.033% *  0.2189% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.39 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.817, support = 4.65, residual support = 17.3:
        T HB2   PHE   97 - HB2   LEU  104   3.47 +/- 0.76  85.790% * 95.9248% (0.82 10.00   4.67  17.37) =  99.618%  kept
          QE    LYS+ 106 - HB2   LEU  104   6.92 +/- 1.73   8.086% *  3.8827% (0.78  1.00   0.85   0.02) =   0.380%
          QE    LYS+  99 - HB2   LEU  104   6.00 +/- 0.94   6.097% *  0.0253% (0.22  1.00   0.02  16.99) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  14.74 +/- 1.40   0.018% *  0.0736% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  17.07 +/- 0.91   0.009% *  0.0936% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.38, residual support = 41.8:
          HN    ASP- 105 - HB2   LEU  104   2.21 +/- 0.24 100.000% * 99.8759% (0.82   6.38  41.78) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  17.76 +/- 1.49   0.000% *  0.1241% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.39, residual support = 219.4:
      O   HN    LEU  104 - HB2   LEU  104   2.60 +/- 0.29  99.994% * 99.7579% (0.36  10.0   7.39 219.41) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.67 +/- 0.72   0.006% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.88, residual support = 219.4:
      O   HN    LEU  104 - HB3   LEU  104   3.62 +/- 0.29  99.979% * 99.9343% (0.71  10.0   6.88 219.41) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  15.14 +/- 0.84   0.021% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.45, residual support = 219.4:
          HN    LEU  104 - HG    LEU  104   3.20 +/- 0.32  99.983% * 99.8239% (0.92   7.45 219.41) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.82 +/- 1.15   0.017% *  0.1761% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 1.5, residual support = 17.0:
          HN    LYS+  99 - HG    LEU  104   3.52 +/- 0.60  85.621% * 96.3289% (0.98   1.50  16.99) =  99.773%  kept
          HE1   HIS  122 - HG    LEU  104   7.86 +/- 3.99  14.366% *  1.3074% (1.00   0.02   0.02) =   0.227%
          HN    GLN   30 - HG    LEU  104  17.36 +/- 1.01   0.007% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  19.01 +/- 1.58   0.005% *  0.4918% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.26 +/- 1.43   0.002% *  1.2844% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.388, support = 6.78, residual support = 212.0:
          HN    LEU  104 - QD1   LEU  104   4.10 +/- 0.29  84.294% * 77.6358% (0.40   6.88 219.41) =  95.893%  kept
          HN    PHE   72 - QD1   LEU   73   5.77 +/- 0.56  12.944% * 21.6327% (0.18   4.29  40.17) =   4.103%  kept
          HN    PHE   72 - QD1   LEU   63   8.50 +/- 0.67   1.311% *  0.1008% (0.18   0.02  18.99) =   0.002%
          HN    PHE   72 - QD1   LEU  104  11.47 +/- 0.97   0.204% *  0.5475% (0.96   0.02   0.02) =   0.002%
          HN    LEU  104 - QD1   LEU   63   8.93 +/- 0.80   0.947% *  0.0415% (0.07   0.02   0.02) =   0.001%
          HN    LEU  104 - QD1   LEU   73  10.68 +/- 0.70   0.300% *  0.0415% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.96, residual support = 17.0:
        T HB2   LYS+  99 - QD1   LEU  104   2.51 +/- 1.08  94.353% * 97.1108% (0.40 10.00   2.96  16.99) =  99.983%  kept
        T HB    VAL   43 - QD1   LEU  104   9.75 +/- 1.12   1.144% *  1.2428% (0.51 10.00   0.02   0.02) =   0.016%
          HB    VAL   43 - QD1   LEU   73   5.54 +/- 0.47   3.818% *  0.0229% (0.09  1.00   0.02   7.61) =   0.001%
        T HB    ILE   89 - QD1   LEU  104  16.73 +/- 1.81   0.030% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  10.46 +/- 1.09   0.102% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  10.51 +/- 0.88   0.061% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   7.77 +/- 0.55   0.433% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  11.88 +/- 0.67   0.030% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  13.02 +/- 0.80   0.015% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  20.90 +/- 1.33   0.002% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.92 +/- 0.82   0.008% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.32 +/- 1.18   0.003% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 1 structures by 0.24 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.89, support = 2.12, residual support = 17.3:
          HB2   LYS+  99 - QD2   LEU  104   2.67 +/- 1.06  89.683% * 81.6574% (0.90  1.00   2.10  16.99) =  99.151%  kept
          HB3   GLN   17 - QG2   VAL   18   4.95 +/- 0.86   8.997% *  6.9089% (0.04  1.00   4.17  50.08) =   0.842%  kept
        T HB    VAL   43 - QD2   LEU  104   9.59 +/- 1.05   0.042% *  8.3497% (0.97 10.00   0.02   0.02) =   0.005%
        T HB    VAL   43 - QG1   VAL   41   7.12 +/- 0.54   0.271% *  0.4485% (0.05 10.00   0.02   1.68) =   0.002%
        T HB    VAL   43 - QG2   VAL   18   9.96 +/- 0.93   0.034% *  1.2830% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   6.26 +/- 0.77   0.956% *  0.0417% (0.05  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  14.81 +/- 0.89   0.003% *  0.1192% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  20.35 +/- 1.08   0.000% *  0.7987% (0.92  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  16.29 +/- 1.66   0.002% *  0.1227% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.82 +/- 1.66   0.001% *  0.2157% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.67 +/- 1.33   0.010% *  0.0116% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.43 +/- 0.76   0.001% *  0.0429% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.42, residual support = 42.9:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.833% * 98.4679% (0.72  10.0 10.00   3.42  42.93) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.14 +/- 0.16   0.160% *  0.1263% (0.93   1.0  1.00   0.02  22.02) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.91 +/- 0.20   0.006% *  0.0885% (0.65   1.0  1.00   0.02   2.39) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  15.94 +/- 1.36   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.68 +/- 0.83   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  17.25 +/- 2.08   0.000% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.11 +/- 0.85   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  19.59 +/- 1.51   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.44 +/- 0.82   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  19.12 +/- 0.93   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.69 +/- 1.10   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.20 +/- 0.82   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.52 +/- 0.94   0.000% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.59, residual support = 5.07:
        T QG2   THR  118 - HB2   ASP- 105   2.64 +/- 0.72 100.000% *100.0000% (0.54 10.00   1.59   5.07) = 100.000%  kept
    Distance limit 3.21 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.59, residual support = 5.07:
        T QG2   THR  118 - HB3   ASP- 105   3.24 +/- 0.45 100.000% *100.0000% (0.57 10.00   1.59   5.07) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 4.37, residual support = 43.4:
          HB2   PHE   97 - HB2   ASP- 105   4.15 +/- 0.78  61.948% * 53.7474% (0.89   4.52  54.43) =  65.915%  kept
          QE    LYS+ 106 - HB2   ASP- 105   4.99 +/- 1.35  37.611% * 45.7756% (0.85   4.06  22.02) =  34.084%  kept
          QE    LYS+  99 - HB2   ASP- 105   9.73 +/- 0.88   0.354% *  0.0627% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  12.71 +/- 1.16   0.080% *  0.1825% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  18.60 +/- 1.00   0.006% *  0.2320% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.74, residual support = 49.7:
        T HB2   PHE   97 - HB3   ASP- 105   3.80 +/- 0.96  73.109% * 67.7091% (0.87 10.00   3.74  54.43) =  85.501%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.58 +/- 1.62  26.157% * 32.0903% (0.41 10.00   3.76  22.02) =  14.498%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.65 +/- 1.20   0.591% *  0.0567% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  11.32 +/- 0.76   0.089% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.32 +/- 1.39   0.042% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.91 +/- 1.40   0.009% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  18.57 +/- 1.09   0.004% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.23, residual support = 42.9:
      O T HA    ASP- 105 - HB3   ASP- 105   2.87 +/- 0.24  99.999% * 99.8608% (0.87  10.0 10.00   3.23  42.93) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  22.90 +/- 1.48   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  24.60 +/- 1.64   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  22.48 +/- 1.69   0.001% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.69, residual support = 42.9:
      O   HN    ASP- 105 - HB3   ASP- 105   2.81 +/- 0.49  99.996% * 99.9603% (0.95  10.0   4.69  42.93) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  17.65 +/- 1.33   0.004% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.87, residual support = 22.0:
          HN    LYS+ 106 - HB3   ASP- 105   3.84 +/- 0.36  99.668% * 99.5468% (0.18   3.87  22.02) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105  10.57 +/- 0.97   0.332% *  0.4532% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.78 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.32, residual support = 54.4:
          QD    PHE   97 - HB2   ASP- 105   3.53 +/- 0.31  99.925% * 99.2940% (0.87   3.32  54.43) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  12.77 +/- 1.44   0.073% *  0.5618% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  23.82 +/- 1.56   0.001% *  0.1442% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.78, residual support = 42.9:
      O   HN    ASP- 105 - HB2   ASP- 105   3.49 +/- 0.22  99.992% * 99.9603% (0.89  10.0   4.78  42.93) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  17.04 +/- 1.34   0.008% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3154 (8.99, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.166, support = 3.83, residual support = 22.0:
          HN    LYS+ 106 - HB2   ASP- 105   2.83 +/- 0.34  99.956% * 99.5416% (0.17   3.83  22.02) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.39 +/- 0.74   0.044% *  0.4584% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.07, residual support = 2.13:
        T HA    MET   96 - HA    LYS+ 106   3.14 +/- 0.46  99.952% * 99.9189% (0.87 10.00   1.07   2.13) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.88 +/- 0.39   0.048% *  0.0811% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.84, residual support = 10.1:
          QD    PHE   97 - HA    LYS+ 106   4.41 +/- 0.90  97.828% * 99.5658% (0.45   3.84  10.06) =  99.990%  kept
          HZ3   TRP   87 - HA    LYS+ 106  10.05 +/- 1.23   2.172% *  0.4342% (0.38   0.02   0.02) =   0.010%
    Distance limit 3.75 A violated in 4 structures by 0.77 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.92, residual support = 10.1:
          HN    PHE   97 - HA    LYS+ 106   3.60 +/- 0.52  99.435% * 99.1100% (0.90   2.92  10.06) =  99.996%  kept
          HN    LEU  115 - HA    LYS+ 106   9.27 +/- 0.50   0.495% *  0.6794% (0.90   0.02   0.02) =   0.003%
          HN    ASP- 113 - HA    LYS+ 106  12.78 +/- 0.58   0.070% *  0.2106% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 135.8:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.90 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.18 135.78) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.23 +/- 0.05 100.000% * 99.8992% (0.99  10.0   4.58  26.81) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  18.83 +/- 0.79   0.000% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.4, residual support = 135.8:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.17 +/- 0.24  99.926% * 99.9120% (0.18  10.0   5.40 135.78) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.83 +/- 0.57   0.074% *  0.0880% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.14, residual support = 26.8:
          HN    VAL  107 - QB    LYS+ 106   3.16 +/- 0.17  99.995% * 99.6087% (0.99   5.14  26.81) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  16.85 +/- 0.81   0.005% *  0.3913% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.607, support = 5.95, residual support = 135.8:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.44 +/- 0.04  99.754% * 94.0497% (0.61  10.0 10.00   5.95 135.78) =  99.999%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.80 +/- 0.54   0.103% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.97 +/- 1.22   0.009% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.02 +/- 1.03   0.052% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106  10.00 +/- 0.71   0.024% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.66 +/- 0.87   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.12 +/- 0.73   0.043% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.57 +/- 1.05   0.006% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.83 +/- 0.60   0.000% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.67 +/- 0.42   0.003% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  14.69 +/- 0.78   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.61 +/- 1.28   0.002% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  22.58 +/- 1.58   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.73, residual support = 5.47:
          QG2   VAL  108 - QB    LYS+ 106   3.00 +/- 0.21  99.046% * 98.4934% (1.00   2.73   5.47) =  99.994%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.07 +/- 0.32   0.703% *  0.7081% (0.98   0.02   0.02) =   0.005%
          QD1   ILE  119 - QB    LYS+ 106   8.96 +/- 1.25   0.240% *  0.5521% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  14.16 +/- 0.53   0.010% *  0.2464% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 4.54, residual support = 26.2:
          QG2   VAL  107 - QB    LYS+ 106   5.42 +/- 0.20  10.251% * 98.7146% (0.76   4.64  26.81) =  97.770%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.27 +/- 1.32  22.863% *  0.5556% (1.00   0.02   0.02) =   1.227%  kept
          QG2   THR   94 - QB    LYS+ 106   3.95 +/- 0.42  66.620% *  0.1548% (0.28   0.02   0.02) =   0.996%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.60 +/- 0.80   0.207% *  0.2930% (0.53   0.02   0.02) =   0.006%
          HB3   LYS+ 112 - QB    LYS+ 106  13.80 +/- 0.59   0.038% *  0.1719% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  15.23 +/- 0.79   0.021% *  0.1102% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 4.93, residual support = 101.8:
          HN    LYS+  81 - QG    LYS+  81   2.80 +/- 0.45  99.027% * 82.1179% (0.13   4.94 101.80) =  99.988%  kept
          QE    PHE   95 - HG2   LYS+ 106   9.60 +/- 1.57   0.771% *  0.8583% (0.34   0.02   0.02) =   0.008%
          HE3   TRP   27 - HG2   LYS+  33  11.64 +/- 2.01   0.076% *  2.4503% (0.98   0.02   0.02) =   0.002%
          HE3   TRP   27 - QG    LYS+  81  11.42 +/- 1.49   0.031% *  1.1731% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81  10.39 +/- 0.69   0.047% *  0.6297% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.66 +/- 1.38   0.008% *  1.4860% (0.59   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.98 +/- 0.70   0.009% *  1.3152% (0.53   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  14.53 +/- 1.31   0.010% *  0.6776% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.05 +/- 0.94   0.004% *  1.4341% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.91 +/- 1.68   0.003% *  1.4152% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.74 +/- 1.48   0.003% *  1.1322% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  16.53 +/- 1.63   0.004% *  0.4947% (0.20   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.16 +/- 1.39   0.001% *  0.7976% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  17.56 +/- 1.21   0.003% *  0.3000% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.39 +/- 1.66   0.001% *  0.4215% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.17 +/- 0.83   0.001% *  0.6950% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.12 +/- 1.57   0.000% *  2.3647% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  23.87 +/- 0.93   0.000% *  0.2369% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.271, support = 0.745, residual support = 1.49:
          HN    GLU-  79 - QG    LYS+  81   4.55 +/- 0.65  97.835% * 81.2137% (0.27   0.75   1.49) =  99.957%  kept
          HN    VAL   70 - HG2   LYS+  33  12.11 +/- 1.68   0.429% *  3.9125% (0.49   0.02   0.02) =   0.021%
          HN    THR   94 - HG2   LYS+ 106  10.10 +/- 0.99   1.342% *  0.9647% (0.12   0.02   0.02) =   0.016%
          HN    THR   94 - QG    LYS+  81  12.52 +/- 0.93   0.309% *  0.7616% (0.09   0.02   0.02) =   0.003%
          HN    VAL   70 - HG2   LYS+ 106  18.24 +/- 0.90   0.033% *  2.3729% (0.30   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  20.91 +/- 0.78   0.015% *  4.5508% (0.57   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+ 106  19.60 +/- 1.29   0.021% *  2.7599% (0.34   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+  33  22.19 +/- 1.25   0.010% *  1.5907% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  24.23 +/- 0.62   0.005% *  1.8732% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 6 structures by 0.73 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.8:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.14 +/- 0.35  99.974% * 99.8764% (0.18  10.0   5.66 135.78) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.67 +/- 1.09   0.021% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  17.80 +/- 0.86   0.004% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.44 +/- 0.41   0.001% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 45.7:
        T HB2   PHE   95 - HB    VAL  107   2.74 +/- 0.83 100.000% *100.0000% (0.69 10.00   4.31  45.66) = 100.000%  kept
    Distance limit 3.13 A violated in 1 structures by 0.19 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 58.2:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.664% * 99.7352% (0.72  10.0 10.00   3.20  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   6.48 +/- 1.18   0.320% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.73 +/- 0.93   0.007% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.79 +/- 1.41   0.008% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.12 +/- 0.80   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.83 +/- 0.93   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.62, residual support = 58.2:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.01  99.673% * 99.5954% (0.71  10.0 10.00   3.62  58.23) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   6.48 +/- 1.18   0.320% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.24 +/- 0.95   0.005% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  16.82 +/- 1.14   0.000% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.23 +/- 2.00   0.000% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.83 +/- 0.93   0.000% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.666, support = 0.539, residual support = 2.82:
          QD1   LEU   63 - HB    VAL  107   4.91 +/- 0.82  54.331% * 32.5927% (0.71   0.45   0.43) =  51.794%  kept
          QD2   LEU  115 - HB    VAL  107   5.79 +/- 1.17  32.127% * 43.3595% (0.67   0.64   6.30) =  40.745%  kept
          QD2   LEU   63 - HB    VAL  107   6.35 +/- 0.95  12.771% * 19.9109% (0.33   0.60   0.43) =   7.437%  kept
          QD1   LEU  104 - HB    VAL  107  10.41 +/- 0.60   0.497% *  1.0101% (0.50   0.02   0.02) =   0.015%
          QD1   LEU   73 - HB    VAL  107  13.03 +/- 0.39   0.119% *  1.4414% (0.71   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB    VAL  107  15.10 +/- 2.13   0.064% *  1.3188% (0.65   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB    VAL  107  13.98 +/- 1.27   0.092% *  0.3667% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.85, residual support = 45.7:
          QD    PHE   95 - HB    VAL  107   2.37 +/- 0.70  99.990% * 99.8337% (0.63   3.85  45.66) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.02 +/- 1.03   0.010% *  0.1663% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 1 structures by 0.05 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.3:
          QD    PHE   97 - HB    VAL  107   6.14 +/- 0.98  98.516% * 54.4328% (0.33   0.02   2.33) =  98.755%  kept
          HZ3   TRP   87 - HB    VAL  107  13.50 +/- 1.24   1.484% * 45.5672% (0.27   0.02   0.02) =   1.245%  kept
    Distance limit 3.69 A violated in 19 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 58.2:
      O   HN    VAL  107 - HB    VAL  107   2.36 +/- 0.17  99.999% * 99.8992% (0.72  10.0   3.33  58.23) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  15.98 +/- 1.07   0.001% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.24, residual support = 45.7:
          HN    PHE   95 - HB    VAL  107   3.90 +/- 1.03 100.000% *100.0000% (0.47   3.24  45.66) = 100.000%  kept
    Distance limit 4.06 A violated in 3 structures by 0.33 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.07, residual support = 58.2:
      O   QG2   VAL  107 - QG1   VAL  107   2.05 +/- 0.05  98.873% * 99.3136% (0.99  10.0  1.00   4.07  58.23) =  99.998%  kept
        T HG13  ILE  119 - QG1   VAL  107   4.88 +/- 0.83   1.031% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG1   VAL  107   7.52 +/- 0.54   0.046% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.51 +/- 0.84   0.012% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24   9.40 +/- 0.16   0.011% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.36 +/- 0.55   0.024% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.69 +/- 0.82   0.000% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.66 +/- 1.02   0.001% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  12.88 +/- 2.17   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.96 +/- 0.95   0.001% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  22.31 +/- 1.03   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  19.20 +/- 1.14   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 58.2:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.01  99.606% * 99.1597% (0.65  10.0 10.00   3.62  58.23) = 100.000%  kept
          QG    GLU-  79 - QG2   VAL   24   6.71 +/- 0.85   0.149% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG1   VAL  107   6.27 +/- 0.32   0.156% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.87 +/- 0.85   0.048% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   8.98 +/- 1.01   0.023% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.61 +/- 0.58   0.007% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  16.82 +/- 1.14   0.000% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  10.27 +/- 0.43   0.008% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.55 +/- 0.64   0.000% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.43 +/- 0.71   0.000% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.83 +/- 0.68   0.001% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  21.45 +/- 1.19   0.000% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.62 +/- 1.21   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  23.92 +/- 0.86   0.000% *  0.0064% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 58.2:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.02  99.755% * 99.2330% (0.65  10.0 10.00   3.20  58.23) = 100.000%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.04 +/- 0.93   0.103% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   6.71 +/- 0.62   0.118% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   9.13 +/- 1.16   0.023% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.49 +/- 0.92   0.000% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  20.05 +/- 0.85   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.66 +/- 0.41   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.65, support = 0.98, residual support = 4.05:
        T QB    GLU- 114 - QG2   VAL  107   3.37 +/- 0.40  76.516% * 94.2809% (0.65 10.00   0.99   4.09) =  98.985%  kept
          HB2   LYS+ 111 - QG2   VAL  107   4.69 +/- 1.13  20.429% *  3.5460% (0.99  1.00   0.24   0.02) =   0.994%  kept
        T HB    ILE  119 - QG2   VAL  107   6.77 +/- 1.09   3.013% *  0.5171% (0.18 10.00   0.02   0.02) =   0.021%
          HB2   GLN   17 - QG2   VAL  107  16.16 +/- 0.97   0.007% *  0.2953% (1.00  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  16.91 +/- 0.69   0.005% *  0.2953% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.69 +/- 0.73   0.008% *  0.1672% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  17.17 +/- 0.91   0.005% *  0.2364% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  16.59 +/- 1.20   0.006% *  0.1437% (0.49  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  18.37 +/- 1.42   0.003% *  0.1214% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.43 +/- 1.21   0.001% *  0.2793% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  17.15 +/- 0.82   0.005% *  0.0517% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.43 +/- 0.56   0.003% *  0.0657% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 1 structures by 0.33 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.759, support = 1.06, residual support = 2.67:
        T QD1   LEU   63 - QG1   VAL  107   4.39 +/- 0.83   7.509% * 60.9501% (0.98 10.00   0.75   0.43) =  61.100%  kept
          QD2   LEU   80 - QG2   VAL   24   3.15 +/- 0.70  29.084% *  3.6870% (0.21  1.00   2.09  11.11) =  14.316%  kept
          QD2   LEU  115 - QG1   VAL  107   4.14 +/- 0.63   5.022% * 17.6400% (0.92  1.00   2.30   6.30) =  11.828%  kept
        T QG1   VAL   83 - QG2   VAL   24   2.64 +/- 0.73  55.687% *  1.2535% (0.06 10.00   0.26   0.56) =   9.319%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.28 +/- 0.91   2.142% * 11.8865% (0.45 10.00   0.32   0.43) =   3.400%  kept
        T QD1   LEU   73 - QG2   VAL   24   6.37 +/- 0.98   0.465% *  0.3863% (0.23 10.00   0.02   0.02) =   0.024%
        T QD1   LEU  104 - QG1   VAL  107   8.42 +/- 0.58   0.062% *  1.1390% (0.69 10.00   0.02   0.02) =   0.009%
        T QD1   LEU   73 - QG1   VAL  107  11.91 +/- 0.50   0.009% *  1.6253% (0.98 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - QG1   VAL  107  12.94 +/- 0.87   0.006% *  0.4135% (0.25 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   24  13.75 +/- 0.78   0.003% *  0.3863% (0.23 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  14.54 +/- 1.30   0.004% *  0.2707% (0.16 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  13.96 +/- 1.34   0.004% *  0.1487% (0.90  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  14.69 +/- 0.99   0.002% *  0.1767% (0.11 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  17.80 +/- 1.27   0.001% *  0.0364% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.08, residual support = 6.3:
          QD1   LEU  115 - QG2   VAL  107   3.84 +/- 0.57  99.252% * 97.2894% (0.38   1.08   6.30) =  99.979%  kept
          QG1   VAL   75 - QG2   VAL  107   9.93 +/- 0.94   0.748% *  2.7106% (0.57   0.02   0.02) =   0.021%
    Distance limit 3.54 A violated in 4 structures by 0.37 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.872, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107  10.16 +/- 1.15  86.739% * 58.0948% (0.90   0.02   0.02) =  90.067%  kept
          QG2   ILE   19 - QG2   VAL  107  14.25 +/- 0.75  13.261% * 41.9052% (0.65   0.02   0.02) =   9.933%  kept
    Distance limit 3.22 A violated in 20 structures by 6.68 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 58.2:
      O T HA    VAL  107 - QG2   VAL  107   2.61 +/- 0.15  98.220% * 99.4123% (0.45  10.0 10.00   3.63  58.23) =  99.999%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.28 +/- 0.60   1.652% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QG2   VAL  107   9.59 +/- 0.86   0.053% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  10.43 +/- 1.62   0.073% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.46 +/- 0.77   0.002% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.33, support = 0.0199, residual support = 1.0:
        T HB    ILE  119 - QG1   VAL  107   5.50 +/- 0.89  50.562% * 28.3613% (0.25 10.00   0.02   0.02) =  81.112%  kept
          HB2   PRO   93 - QG1   VAL  107   7.39 +/- 1.75  21.184% *  9.5003% (0.84  1.00   0.02   0.02) =  11.384%  kept
          HB    VAL  108 - QG1   VAL  107   6.04 +/- 0.31  22.283% *  5.0993% (0.45  1.00   0.02  15.34) =   6.427%  kept
          HG2   PRO   58 - QG1   VAL  107   9.70 +/- 1.09   1.577% *  7.3579% (0.65  1.00   0.02   0.02) =   0.656%  kept
          HG3   PRO   52 - QG1   VAL  107  11.51 +/- 1.07   0.464% *  7.3579% (0.65  1.00   0.02   0.02) =   0.193%
          HB2   GLN   30 - QG2   VAL   24   8.30 +/- 0.56   3.372% *  0.6740% (0.06  1.00   0.02   0.02) =   0.129%
          HB2   ARG+  54 - QG1   VAL  107  13.53 +/- 0.69   0.164% *  5.9841% (0.53  1.00   0.02   0.02) =   0.056%
          HB2   PRO   93 - QG2   VAL   24  16.13 +/- 1.02   0.065% *  2.2578% (0.20  1.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - QG1   VAL  107  16.76 +/- 0.71   0.046% *  2.8361% (0.25  1.00   0.02   0.02) =   0.007%
          HB3   GLU- 100 - QG1   VAL  107  16.67 +/- 0.80   0.049% *  2.2509% (0.20  1.00   0.02   0.02) =   0.006%
          HB2   GLU-  14 - QG1   VAL  107  21.52 +/- 1.31   0.011% *  8.2592% (0.73  1.00   0.02   0.02) =   0.005%
          HB    VAL  108 - QG2   VAL   24  16.02 +/- 1.23   0.066% *  1.2119% (0.11  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  14 - QG2   VAL   24  18.14 +/- 1.63   0.031% *  1.9628% (0.17  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - QG2   VAL   24  18.13 +/- 0.69   0.028% *  1.7486% (0.15  1.00   0.02   0.02) =   0.003%
          HB3   GLU- 100 - QG2   VAL   24  16.45 +/- 1.31   0.056% *  0.5349% (0.05  1.00   0.02   0.02) =   0.002%
          HG2   MET   11 - QG1   VAL  107  28.18 +/- 1.83   0.002% *  8.6923% (0.76  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - QG2   VAL   24  21.73 +/- 0.98   0.010% *  1.7486% (0.15  1.00   0.02   0.02) =   0.001%
          HG2   MET   11 - QG2   VAL   24  24.08 +/- 3.03   0.007% *  2.0658% (0.18  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QG2   VAL   24  21.50 +/- 1.00   0.010% *  1.4221% (0.13  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - QG2   VAL   24  21.40 +/- 0.98   0.011% *  0.6740% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 17 structures by 1.38 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.898, support = 1.3, residual support = 6.22:
          HA    LEU  115 - QG1   VAL  107   1.99 +/- 0.37  96.766% * 38.4667% (0.90   1.28   6.30) =  96.469%  kept
          HA    GLU- 114 - QG1   VAL  107   4.10 +/- 0.77   2.351% * 57.9009% (0.92   1.87   4.09) =   3.528%  kept
          HA    ASN   28 - QG2   VAL   24   4.76 +/- 0.28   0.735% *  0.1380% (0.21   0.02  12.24) =   0.003%
          HA    THR   26 - QG2   VAL   24   6.50 +/- 0.25   0.136% *  0.0965% (0.14   0.02   2.67) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.02 +/- 0.72   0.001% *  0.6633% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG1   VAL  107  12.38 +/- 0.65   0.003% *  0.2283% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  12.93 +/- 1.62   0.003% *  0.1576% (0.24   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.46 +/- 0.61   0.002% *  0.1669% (0.25   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  13.04 +/- 0.51   0.002% *  0.1559% (0.23   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  17.37 +/- 0.64   0.000% *  0.6560% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.84 +/- 0.63   0.000% *  0.5805% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.39 +/- 0.51   0.000% *  0.4059% (0.61   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  19.58 +/- 0.93   0.000% *  0.1426% (0.21   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  19.83 +/- 0.84   0.000% *  0.0543% (0.08   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  22.35 +/- 1.22   0.000% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  25.81 +/- 1.37   0.000% *  0.0397% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 58.2:
      O T HA    VAL  107 - QG1   VAL  107   2.24 +/- 0.27  99.292% * 99.0400% (0.45  10.0 10.00   4.31  58.23) = 100.000%  kept
          HA    TRP   27 - QG2   VAL   24   5.62 +/- 0.39   0.514% *  0.0439% (0.20   1.0  1.00   0.02  24.86) =   0.000%
          HA    LYS+ 111 - QG1   VAL  107   6.73 +/- 0.53   0.181% *  0.0754% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.81 +/- 0.95   0.006% *  0.1916% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  12.56 +/- 1.34   0.004% *  0.1340% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.48 +/- 0.51   0.001% *  0.1845% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  17.75 +/- 0.91   0.000% *  0.2354% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  15.69 +/- 0.61   0.001% *  0.0318% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.75 +/- 0.55   0.000% *  0.0455% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.31 +/- 0.82   0.000% *  0.0179% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.246, support = 2.11, residual support = 16.7:
          HD1   TRP   27 - QG2   VAL   24   3.92 +/- 1.42  57.893% * 52.2180% (0.12   2.97  24.86) =  64.797%  kept
          QD    PHE   59 - QG1   VAL  107   4.35 +/- 1.10  41.908% * 39.1843% (0.49   0.53   1.74) =  35.199%  kept
          HE21  GLN   30 - QG2   VAL   24  10.41 +/- 0.73   0.153% *  0.6029% (0.20   0.02   0.02) =   0.002%
          HH2   TRP   49 - QG1   VAL  107  14.12 +/- 1.49   0.021% *  2.9313% (0.97   0.02   0.02) =   0.001%
          HE21  GLN   30 - QG1   VAL  107  16.60 +/- 0.88   0.008% *  2.5370% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   VAL  107  16.16 +/- 0.53   0.008% *  1.4784% (0.49   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  16.58 +/- 1.46   0.006% *  0.3514% (0.12   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  19.86 +/- 1.57   0.002% *  0.6966% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.29 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 45.7:
          QD    PHE   95 - QG2   VAL  107   2.73 +/- 0.67  99.689% * 99.4875% (0.95   3.86  45.66) =  99.999%  kept
          HN    ALA   47 - QG2   VAL  107  10.39 +/- 0.95   0.078% *  0.4169% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   8.87 +/- 0.71   0.233% *  0.0955% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 1.5, residual support = 6.3:
          HN    LEU  115 - QG2   VAL  107   3.23 +/- 0.54  96.772% * 98.2832% (0.90   1.50   6.30) =  99.979%  kept
          HN    PHE   97 - QG2   VAL  107   7.91 +/- 0.45   0.795% *  1.3105% (0.90   0.02   2.33) =   0.011%
          HN    ASP- 113 - QG2   VAL  107   6.07 +/- 0.55   2.433% *  0.4063% (0.28   0.02   0.02) =   0.010%
    Distance limit 3.75 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.3:
          HN    VAL  108 - QG2   VAL  107   3.25 +/- 0.13  99.785% * 99.3374% (0.57   3.64  15.34) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  107   9.23 +/- 0.51   0.215% *  0.6626% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 58.2:
          HN    VAL  107 - QG1   VAL  107   2.99 +/- 0.36  99.980% * 99.2323% (0.99   3.84  58.23) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.51 +/- 0.90   0.012% *  0.5211% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  15.59 +/- 0.92   0.006% *  0.1227% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  18.82 +/- 0.66   0.002% *  0.1238% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.656, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.62 +/- 0.49  79.137% * 80.7980% (0.69   0.02   0.02) =  94.104%  kept
          HN    VAL   43 - QG2   VAL   24  10.98 +/- 0.90  20.863% * 19.2020% (0.16   0.02   0.02) =   5.896%  kept
    Distance limit 3.39 A violated in 20 structures by 4.88 A, eliminated.
    Peak unassigned.
 
    Peak 3194 (8.75, 3.67, 43.34 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.2, residual support = 6.38:
      O   HN    ALA  110 - HA2   GLY  109   2.99 +/- 0.32  99.960% * 99.9027% (0.99  10.0   2.20   6.38) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.43 +/- 0.89   0.040% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.18:
      O   HN    GLY  109 - HA2   GLY  109   2.51 +/- 0.23  99.965% * 99.5895% (0.53  10.0   2.20   9.18) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  10.25 +/- 1.45   0.034% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.39 +/- 1.06   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  20.56 +/- 1.08   0.000% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
      O   HN    VAL  108 - HB    VAL  108   2.99 +/- 0.49  99.940% * 99.8788% (0.57  10.0   4.08  62.12) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  11.47 +/- 0.84   0.060% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.64:
          HN    GLY  109 - QG1   VAL  108   2.53 +/- 0.25  98.967% * 89.7984% (0.14   3.09   7.64) =  99.957%  kept
          HN    GLN   90 - QG1   VAL  108   7.02 +/- 1.20   1.024% *  3.7235% (0.87   0.02   0.02) =   0.043%
          HN    ILE  103 - QG1   VAL  108  13.26 +/- 1.06   0.006% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  15.00 +/- 0.81   0.003% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  20.93 +/- 0.75   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 62.1:
          HN    VAL  108 - QG1   VAL  108   3.59 +/- 0.05  99.882% * 99.4664% (0.57   4.52  62.12) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  11.19 +/- 0.55   0.118% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
          HN    VAL  108 - QG2   VAL  108   2.56 +/- 0.61  99.877% * 99.4087% (0.57   4.08  62.12) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  108   9.29 +/- 0.64   0.123% *  0.5913% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.18 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.794, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.13 +/- 0.67  86.760% * 32.6470% (0.80   0.02   0.02) =  87.797%  kept
          HN    SER   82 - QG2   VAL  108  14.89 +/- 1.36  11.221% * 28.0060% (0.69   0.02   0.02) =   9.741%  kept
          HN    GLY   16 - QG2   VAL  108  19.28 +/- 0.78   2.019% * 39.3470% (0.97   0.02   0.02) =   2.462%  kept
    Distance limit 4.19 A violated in 20 structures by 5.69 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  15.95 +/- 0.71 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.76 A violated in 20 structures by 12.19 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 5.47:
          HA    LYS+ 106 - QG2   VAL  108   4.74 +/- 0.07 100.000% *100.0000% (0.28   1.42   5.47) = 100.000%  kept
    Distance limit 3.91 A violated in 4 structures by 0.83 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.55, residual support = 315.2:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.29 +/- 0.02  99.675% * 98.2964% (0.69  10.0  1.00   6.55 315.24) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 111   8.45 +/- 1.75   0.058% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.43 +/- 0.55   0.255% *  0.0251% (0.18   1.0  1.00   0.02  27.89) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.98 +/- 1.79   0.006% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.61 +/- 1.59   0.003% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  13.89 +/- 1.22   0.002% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  16.09 +/- 1.13   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  18.04 +/- 1.60   0.000% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.17 +/- 0.72   0.000% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.97 +/- 2.32   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  22.21 +/- 1.53   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.25 +/- 1.65   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.22 +/- 1.59   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.52 +/- 1.66   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.356, support = 3.06, residual support = 25.0:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.88 +/- 1.03  11.007% * 87.5322% (0.31  1.00   3.41  27.89) =  89.499%  kept
          QG2   VAL  107 - HB3   LYS+ 111   3.93 +/- 1.34  88.584% *  1.2706% (0.76  1.00   0.02   0.02) =  10.455%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  13.66 +/- 1.39   0.035% *  8.7471% (0.53 10.00   0.02   0.02) =   0.028%
          QG2   THR   94 - HB3   LYS+ 111   9.21 +/- 0.96   0.359% *  0.4623% (0.28  1.00   0.02   0.02) =   0.015%
          HG13  ILE  103 - HB3   LYS+ 111  16.31 +/- 1.75   0.012% *  1.6589% (1.00  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HB3   LYS+ 111  20.58 +/- 1.25   0.003% *  0.3290% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 1 structures by 0.48 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.95, residual support = 315.2:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.92 +/- 0.14  98.656% * 99.9336% (0.97  10.0   6.95 315.24) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   6.54 +/- 1.34   1.304% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  11.19 +/- 1.24   0.040% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.49, residual support = 315.2:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.61 +/- 0.49  99.938% * 99.6823% (0.73  10.0   5.49 315.24) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111   9.97 +/- 1.04   0.055% *  0.0468% (0.34   1.0   0.02   2.22) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.11 +/- 1.51   0.007% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  20.64 +/- 1.29   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  33.38 +/- 1.92   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.2:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.20 +/- 0.61  99.036% * 99.5678% (1.00  10.0   7.06 315.24) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.41 +/- 0.88   0.130% *  0.0834% (0.84   1.0   0.02   2.22) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.38 +/- 1.25   0.163% *  0.0146% (0.15   1.0   0.02   1.69) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   7.95 +/- 0.52   0.633% *  0.0031% (0.03   1.0   0.02   8.10) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.57 +/- 1.44   0.018% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  15.91 +/- 1.57   0.011% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.65 +/- 1.14   0.001% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  17.64 +/- 1.67   0.006% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  23.37 +/- 1.85   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  25.46 +/- 1.74   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  34.27 +/- 1.58   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.49 +/- 1.04   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 315.2:
          HN    LYS+ 111 - HG2   LYS+ 111   3.90 +/- 0.31  99.700% * 94.2719% (0.18   6.51 315.24) =  99.998%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.22 +/- 1.30   0.220% *  0.8047% (0.49   0.02   2.22) =   0.002%
          QE    PHE   60 - HG2   LYS+ 111  15.72 +/- 2.51   0.047% *  0.5102% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+ 111  16.29 +/- 1.53   0.023% *  1.0027% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  20.72 +/- 1.59   0.005% *  1.4826% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  26.65 +/- 1.28   0.001% *  1.6385% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  21.11 +/- 1.38   0.004% *  0.2895% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.2:
          HN    LYS+ 111 - HG3   LYS+ 111   3.41 +/- 0.28  99.394% * 98.0203% (0.65   6.55 315.24) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.06 +/- 1.49   0.218% *  0.4468% (0.97   0.02   2.22) =   0.001%
          HN    LEU   63 - HG2   LYS+  74  10.74 +/- 1.63   0.162% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   LYS+ 111  16.03 +/- 1.50   0.011% *  0.4620% (1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  12.63 +/- 1.32   0.055% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  13.15 +/- 0.82   0.036% *  0.0478% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  12.66 +/- 0.81   0.046% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  12.23 +/- 0.97   0.063% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  21.14 +/- 1.12   0.002% *  0.2995% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.17 +/- 1.06   0.002% *  0.1738% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.94 +/- 1.35   0.008% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  26.89 +/- 0.83   0.000% *  0.2621% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.40 +/- 0.96   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  35.20 +/- 1.63   0.000% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.64, residual support = 31.7:
          HN    VAL   75 - HG2   LYS+  74   3.31 +/- 0.82  99.836% * 92.7112% (0.09   5.64  31.68) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.88 +/- 1.54   0.156% *  0.4068% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  19.03 +/- 0.76   0.005% *  3.0753% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  21.02 +/- 1.07   0.003% *  3.8066% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.758, support = 0.827, residual support = 2.5:
        T HB2   LEU  115 - HA    LYS+ 112   2.78 +/- 0.70  92.368% * 68.6878% (0.76 10.00   0.75   2.24) =  98.259%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.20 +/- 0.22   4.458% * 15.4890% (0.18  1.00   7.38  27.89) =   1.069%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.69 +/- 0.46   2.908% * 14.9028% (0.73  1.00   1.71   0.98) =   0.671%  kept
          HG3   PRO   58 - HA    LYS+ 112   8.94 +/- 1.61   0.255% *  0.1919% (0.80  1.00   0.02   0.02) =   0.001%
          HB2   LEU   67 - HA    LYS+ 112  17.39 +/- 1.82   0.003% *  0.0900% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  21.03 +/- 1.97   0.001% *  0.2079% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  22.08 +/- 0.96   0.001% *  0.1919% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  17.59 +/- 1.60   0.003% *  0.0420% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  20.82 +/- 1.68   0.001% *  0.0534% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.31 +/- 1.29   0.001% *  0.0534% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  30.21 +/- 1.28   0.000% *  0.0900% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.82, residual support = 8.56:
        T QD1   ILE   56 - HA    LYS+ 112   3.21 +/- 1.56  99.046% * 99.7140% (0.84 10.00   1.82   8.56) =  99.999%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  14.03 +/- 0.74   0.399% *  0.1212% (0.92  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+ 112  11.85 +/- 1.16   0.461% *  0.0365% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  17.66 +/- 1.16   0.076% *  0.0743% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.81 +/- 1.06   0.017% *  0.0540% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 2 structures by 0.40 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 1.64, residual support = 2.88:
          QD    PHE   55 - HA    LYS+ 112   4.73 +/- 0.61  81.870% * 96.8176% (0.95   1.64   2.88) =  99.839%  kept
          QE    PHE   95 - HA    LYS+ 112   7.37 +/- 2.07  18.057% *  0.7070% (0.57   0.02   0.02) =   0.161%
          HN    LEU   67 - HA    LYS+ 112  16.33 +/- 1.58   0.057% *  0.2471% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - HA    LYS+ 112  22.07 +/- 0.78   0.008% *  1.2240% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  24.77 +/- 1.28   0.004% *  0.6570% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  25.32 +/- 1.85   0.004% *  0.3472% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 12 structures by 1.14 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.72, residual support = 231.6:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.04  99.973% * 99.7200% (0.92  10.0   5.72 231.58) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  13.71 +/- 2.05   0.022% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.72 +/- 1.11   0.004% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  20.20 +/- 0.77   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  37.03 +/- 1.97   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 231.6:
          HN    LYS+ 112 - HG2   LYS+ 112   3.37 +/- 0.67  99.992% * 98.9776% (0.41   6.23 231.58) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  22.00 +/- 1.95   0.003% *  0.5910% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  18.80 +/- 1.38   0.005% *  0.2387% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  38.06 +/- 2.22   0.000% *  0.1928% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.74, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   7.86 +/- 1.91  43.938% * 30.2011% (0.90   0.02   0.02) =  57.236%  kept
          HN    PHE   59 - HG2   LYS+ 112   7.79 +/- 1.71  51.152% * 17.7173% (0.53   0.02   0.02) =  39.090%  kept
          QD    PHE   60 - HG2   LYS+ 112  11.68 +/- 1.52   4.136% * 15.0977% (0.45   0.02   0.02) =   2.693%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.81 +/- 1.80   0.722% * 31.0863% (0.92   0.02   0.02) =   0.968%  kept
          HN    LYS+  81 - HG2   LYS+ 112  26.56 +/- 1.93   0.052% *  5.8976% (0.18   0.02   0.02) =   0.013%
    Distance limit 3.97 A violated in 18 structures by 2.75 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.57, residual support = 231.6:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.25 +/- 0.22  99.984% * 93.9398% (0.20  10.0 10.00   4.57 231.58) =  99.999%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  10.68 +/- 1.64   0.015% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG2   LYS+ 112  18.51 +/- 1.56   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  16.78 +/- 1.56   0.001% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  25.26 +/- 1.61   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  33.16 +/- 1.59   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  35.16 +/- 1.84   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 231.6:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.87 +/- 0.35  99.959% * 93.9398% (0.20  10.0 10.00   4.65 231.58) =  99.998%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.57 +/- 1.61   0.037% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG3   LYS+ 112  19.23 +/- 0.88   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  17.42 +/- 1.36   0.003% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  25.87 +/- 1.20   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  34.03 +/- 1.30   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  36.08 +/- 1.70   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.404, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   9.71 +/- 2.15  91.297% *  6.9459% (0.28   0.02   0.02) =  77.908%  kept
          HD1   TRP   49 - HG3   LYS+ 112  17.52 +/- 1.95   4.635% * 24.1093% (0.97   0.02   0.02) =  13.728%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.43 +/- 1.65   3.448% * 17.1603% (0.69   0.02   0.02) =   7.270%  kept
          HD2   HIS   22 - HG3   LYS+ 112  29.95 +/- 1.83   0.165% * 24.9820% (1.00   0.02   0.02) =   0.506%  kept
          HN    THR   23 - HG3   LYS+ 112  26.78 +/- 1.53   0.342% *  7.7106% (0.31   0.02   0.02) =   0.324%
          HD21  ASN   35 - HG3   LYS+ 112  32.67 +/- 1.05   0.113% * 19.0919% (0.76   0.02   0.02) =   0.264%
    Distance limit 4.11 A violated in 20 structures by 5.43 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.94, residual support = 231.6:
          HN    LYS+ 112 - HG3   LYS+ 112   3.17 +/- 0.47  99.996% * 98.9291% (0.41   5.94 231.58) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  22.55 +/- 1.94   0.001% *  0.6189% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  19.59 +/- 1.15   0.002% *  0.2500% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  38.96 +/- 2.22   0.000% *  0.2019% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.76, residual support = 231.6:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.47 +/- 0.11  99.983% * 95.1769% (0.20  10.0  1.00   3.76 231.58) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.60 +/- 2.21   0.016% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  20.37 +/- 1.01   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  18.48 +/- 1.62   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  27.10 +/- 1.37   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  34.83 +/- 1.51   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  36.72 +/- 1.89   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 231.6:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.70 +/- 0.21  99.987% * 99.7845% (0.85  10.0   5.53 231.58) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  13.79 +/- 1.61   0.008% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  14.21 +/- 1.19   0.006% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 231.6:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.29 +/- 0.12  99.982% * 98.0934% (0.19  10.0   2.96 231.58) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  10.97 +/- 2.24   0.017% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  19.65 +/- 1.21   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  18.13 +/- 1.32   0.000% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  26.62 +/- 1.14   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  34.24 +/- 1.44   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  35.95 +/- 2.18   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.57, residual support = 231.6:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.25 +/- 0.22  99.905% * 99.5374% (0.75  10.0 10.00   4.57 231.58) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  10.68 +/- 1.64   0.015% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.03 +/- 0.67   0.064% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  11.64 +/- 1.42   0.009% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  12.32 +/- 1.60   0.006% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  14.03 +/- 0.80   0.002% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 8.55:
          QD1   ILE   56 - QE    LYS+ 112   3.79 +/- 1.57  84.321% * 88.7705% (0.44   1.45   8.56) =  99.950%  kept
          QD1   ILE   56 - HB3   ASP-  62   6.96 +/- 0.50   7.901% *  0.2499% (0.09   0.02   0.02) =   0.026%
          QG2   VAL   18 - HB3   ASP-  62   7.87 +/- 1.78   6.102% *  0.1953% (0.07   0.02   0.02) =   0.016%
          QG2   THR   46 - HB3   ASP-  62  11.35 +/- 1.25   0.930% *  0.1466% (0.05   0.02   0.02) =   0.002%
          QG2   THR   46 - QE    LYS+ 112  12.38 +/- 1.53   0.156% *  0.7166% (0.26   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB3   ASP-  62  12.78 +/- 0.77   0.186% *  0.3804% (0.14   0.02   0.02) =   0.001%
          QG2   VAL   18 - QE    LYS+ 112  13.32 +/- 2.20   0.066% *  0.9545% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB3   ASP-  62  13.10 +/- 0.65   0.193% *  0.3073% (0.11   0.02   0.02) =   0.001%
          QG1   VAL   43 - QE    LYS+ 112  15.80 +/- 1.34   0.030% *  1.5020% (0.54   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB3   ASP-  62  14.98 +/- 0.70   0.077% *  0.3968% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   73 - QE    LYS+ 112  17.15 +/- 2.07   0.015% *  1.8591% (0.67   0.02   0.02) =   0.000%
          QG1   VAL   41 - QE    LYS+ 112  18.69 +/- 1.44   0.011% *  1.9393% (0.70   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  24.30 +/- 1.72   0.002% *  2.1432% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  20.95 +/- 1.12   0.010% *  0.4385% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 7 structures by 0.76 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 231.6:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.87 +/- 0.35  92.290% * 98.8386% (0.81  10.0 10.00   4.65 231.58) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   4.85 +/- 0.87   7.528% *  0.0188% (0.15   1.0  1.00   0.02  42.51) =   0.002%
          HG    LEU   63 - QE    LYS+ 112  10.86 +/- 2.68   0.095% *  0.0918% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.57 +/- 1.61   0.032% *  0.2022% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  11.16 +/- 0.69   0.035% *  0.0255% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  21.45 +/- 1.19   0.001% *  0.7827% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.57 +/- 1.04   0.011% *  0.0052% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.64 +/- 1.44   0.002% *  0.0158% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.39 +/- 1.11   0.005% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  20.16 +/- 0.99   0.001% *  0.0160% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.484, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   7.04 +/- 0.93  23.623% * 59.7816% (0.51 10.00   0.02   0.02) =  90.659%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.58 +/- 1.44  62.823% *  1.3045% (0.11  1.00   0.02   0.02) =   5.261%  kept
          HG13  ILE  119 - QE    LYS+ 112   9.26 +/- 1.95   8.611% *  6.3761% (0.54  1.00   0.02   0.02) =   3.525%  kept
          QG2   VAL  107 - HB3   ASP-  62   8.84 +/- 1.19   3.964% *  1.2231% (0.10  1.00   0.02   0.02) =   0.311%
          HG2   LYS+ 121 - QE    LYS+ 112  14.73 +/- 1.67   0.215% *  8.2327% (0.70  1.00   0.02   0.02) =   0.113%
          QB    ALA   20 - QE    LYS+ 112  17.81 +/- 1.90   0.082% *  9.8344% (0.83  1.00   0.02   0.02) =   0.052%
          QB    ALA   20 - HB3   ASP-  62  14.10 +/- 1.47   0.319% *  2.0121% (0.17  1.00   0.02   0.02) =   0.041%
          HG2   LYS+ 121 - HB3   ASP-  62  14.07 +/- 1.41   0.226% *  1.6844% (0.14  1.00   0.02   0.02) =   0.024%
          HG13  ILE  103 - QE    LYS+ 112  19.36 +/- 1.58   0.049% *  1.9506% (0.17  1.00   0.02   0.02) =   0.006%
          HB3   LEU   31 - QE    LYS+ 112  25.53 +/- 1.64   0.009% *  5.9782% (0.51  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB3   ASP-  62  18.37 +/- 1.41   0.060% *  0.3991% (0.03  1.00   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB3   ASP-  62  22.05 +/- 0.95   0.019% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
    Distance limit 3.06 A violated in 15 structures by 1.91 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.724, support = 0.83, residual support = 2.88:
          QD    PHE   55 - QE    LYS+ 112   3.88 +/- 1.29  88.679% * 88.0910% (0.72   0.83   2.88) =  99.890%  kept
          QE    PHE   95 - QE    LYS+ 112   8.52 +/- 2.34   1.908% *  2.3946% (0.82   0.02   0.02) =   0.058%
          QE    PHE   95 - HB3   ASP-  62   7.70 +/- 0.91   4.520% *  0.4899% (0.17   0.02   0.02) =   0.028%
          HN    LEU   67 - HB3   ASP-  62   7.63 +/- 0.57   3.319% *  0.3233% (0.11   0.02   0.02) =   0.014%
          QD    PHE   55 - HB3   ASP-  62  10.00 +/- 0.90   1.409% *  0.4336% (0.15   0.02   0.02) =   0.008%
          HN    LEU   67 - QE    LYS+ 112  15.46 +/- 2.79   0.050% *  1.5804% (0.54   0.02   0.02) =   0.001%
          HD1   TRP   49 - QE    LYS+ 112  15.66 +/- 1.53   0.038% *  0.7540% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  21.59 +/- 1.65   0.005% *  1.9562% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  18.49 +/- 1.05   0.023% *  0.4002% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  23.37 +/- 1.93   0.004% *  2.3577% (0.81   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  20.49 +/- 1.34   0.012% *  0.4824% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  19.54 +/- 1.56   0.022% *  0.1543% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  25.95 +/- 2.15   0.002% *  0.4835% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  21.92 +/- 1.49   0.008% *  0.0989% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 4 structures by 0.58 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.836, support = 3.54, residual support = 23.1:
          HN    GLU- 114 - QB    ASP- 113   2.56 +/- 0.29  97.123% * 79.3916% (0.84   3.56  23.28) =  99.364%  kept
          HN    GLN  116 - QB    ASP- 113   4.96 +/- 0.20   2.506% * 19.6386% (0.98   0.75   1.50) =   0.634%  kept
          HN    THR  118 - QB    ASP- 113   6.75 +/- 0.33   0.362% *  0.4278% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.51 +/- 0.43   0.009% *  0.3025% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.85 +/- 0.59   0.000% *  0.2395% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.42, residual support = 14.3:
      O   HN    ASP- 113 - QB    ASP- 113   2.19 +/- 0.23  99.998% * 99.9821% (0.98  10.0   3.42  14.27) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.86 +/- 1.46   0.002% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.18 +/- 0.43  98.691% * 39.4133% (0.41 10.00   0.02   0.02) =  99.382%  kept
        T HB3   LYS+  99 - HA    ASP- 113  20.62 +/- 0.80   0.408% * 50.4393% (0.53 10.00   0.02   0.02) =   0.525%  kept
          HB    ILE   89 - HA    ASP- 113  21.49 +/- 1.17   0.325% *  8.8499% (0.92  1.00   0.02   0.02) =   0.073%
          HB    VAL   43 - HA    ASP- 113  19.37 +/- 0.59   0.577% *  1.2975% (0.14  1.00   0.02   0.02) =   0.019%
    Distance limit 3.57 A violated in 20 structures by 4.61 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.795, support = 3.98, residual support = 49.1:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.04  55.243% * 54.7460% (0.84  10.0   3.58  43.63) =  88.088%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.03  12.142% * 29.5663% (0.45  10.0   7.54 101.62) =  10.456%  kept
          HN    GLN  116 - HA    GLU- 114   4.38 +/- 0.29   4.109% *  9.8991% (0.98   1.0   3.08   0.30) =   1.185%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.14   1.487% *  5.6148% (0.38   1.0   4.46  15.25) =   0.243%
          HN    THR  118 - HA    GLU- 114   3.90 +/- 0.56  11.029% *  0.0525% (0.80   1.0   0.02   0.02) =   0.017%
          HN    THR  118 - HA    LEU  115   3.55 +/- 0.34  15.873% *  0.0242% (0.37   1.0   0.02   0.02) =   0.011%
          HN    PHE   60 - HA    LEU  115   8.19 +/- 0.86   0.109% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.64 +/- 0.59   0.007% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.39 +/- 0.74   0.001% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.94 +/- 0.86   0.000% *  0.0294% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.572, support = 6.74, residual support = 158.4:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.03  79.479% * 31.4756% (0.41  10.0   7.66 228.38) =  67.164%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.04  17.881% * 68.3936% (0.90  10.0   4.85  15.25) =  32.834%  kept
          HN    ASP- 113 - HA    GLU- 114   5.12 +/- 0.11   2.134% *  0.0212% (0.28   1.0   0.02  23.28) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.63 +/- 0.22   0.454% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.12 +/- 0.71   0.039% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.42 +/- 1.05   0.012% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3235 (8.17, 2.00, 29.90 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 3.79, residual support = 43.6:
      O   HN    GLU- 114 - QB    GLU- 114   2.30 +/- 0.19  96.281% * 99.6664% (0.81  10.0   3.79  43.63) =  99.996%  kept
          HN    THR  118 - QB    GLU- 114   4.64 +/- 0.60   2.612% *  0.0955% (0.77   1.0   0.02   0.02) =   0.003%
          HN    GLN  116 - QB    GLU- 114   5.04 +/- 0.28   1.096% *  0.1170% (0.95   1.0   0.02   0.30) =   0.001%
          HN    PHE   60 - QB    GLU- 114  10.99 +/- 0.87   0.010% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.77 +/- 0.95   0.000% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.849, support = 4.73, residual support = 15.5:
          HN    LEU  115 - QB    GLU- 114   3.17 +/- 0.38  87.779% * 82.4148% (0.87   4.77  15.25) =  97.191%  kept
          HN    ASP- 113 - QB    GLU- 114   4.54 +/- 0.25  12.124% * 17.2400% (0.27   3.22  23.28) =   2.808%  kept
          HN    PHE   97 - QB    GLU- 114  10.43 +/- 1.16   0.097% *  0.3452% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.839, support = 4.33, residual support = 42.0:
          HN    GLU- 114 - QG    GLU- 114   2.55 +/- 0.43  92.417% * 51.6509% (0.83   4.37  43.63) =  96.327%  kept
          HN    GLN  116 - QG    GLU- 114   4.88 +/- 0.69   3.787% * 47.8348% (0.98   3.45   0.30) =   3.656%  kept
          HN    THR  118 - QG    GLU- 114   4.91 +/- 0.69   3.745% *  0.2269% (0.80   0.02   0.02) =   0.017%
          HN    PHE   60 - QG    GLU- 114  10.37 +/- 1.51   0.050% *  0.1604% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  18.52 +/- 1.48   0.001% *  0.1270% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.3, residual support = 15.2:
          HN    LEU  115 - QG    GLU- 114   2.86 +/- 0.99  99.859% * 98.4084% (0.45   5.30  15.25) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114  10.36 +/- 1.38   0.140% *  0.3716% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  23.86 +/- 1.33   0.001% *  0.4360% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  31.20 +/- 1.74   0.000% *  0.7840% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.973, support = 1.32, residual support = 3.99:
          QG1   VAL  107 - QG    GLU- 114   2.90 +/- 1.17  94.493% * 60.8100% (0.98   1.33   4.09) =  96.625%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.69 +/- 1.27   5.319% * 37.7240% (0.83   0.97   0.98) =   3.374%  kept
          HG13  ILE  119 - QG    GLU- 114   8.19 +/- 1.09   0.183% *  0.2079% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG    GLU- 114  18.91 +/- 2.28   0.002% *  0.8618% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.59 +/- 1.45   0.002% *  0.1635% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  21.30 +/- 1.53   0.001% *  0.2328% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 0.987, residual support = 4.09:
        T QG2   VAL  107 - QB    GLU- 114   3.37 +/- 0.40  99.141% * 98.9148% (0.59 10.00   0.99   4.09) =  99.998%  kept
          HG13  ILE  119 - QB    GLU- 114   8.53 +/- 0.68   0.556% *  0.2137% (0.62  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QB    GLU- 114   9.64 +/- 1.28   0.261% *  0.2760% (0.81  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QB    GLU- 114  12.91 +/- 1.55   0.037% *  0.0654% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.50 +/- 1.23   0.004% *  0.3297% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.47 +/- 1.34   0.002% *  0.2004% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 2 structures by 0.42 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.29, residual support = 228.4:
      O T HA    LEU  115 - HB3   LEU  115   2.23 +/- 0.05  99.742% * 97.8960% (0.92  10.0 10.00   6.29 228.38) =  99.999%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.40 +/- 0.12   0.177% *  0.4755% (0.45   1.0 10.00   0.02  15.25) =   0.001%
        T HA    ARG+  54 - HB3   LEU  115  11.44 +/- 1.02   0.006% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.12 +/- 0.33   0.044% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40   9.61 +/- 1.14   0.021% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.99 +/- 0.94   0.001% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.18 +/- 0.71   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  12.96 +/- 2.01   0.004% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.70 +/- 0.97   0.000% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  15.13 +/- 0.70   0.001% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.16 +/- 0.94   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.05 +/- 0.91   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  18.00 +/- 0.73   0.000% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.65 +/- 0.87   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  24.04 +/- 1.01   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.33 +/- 0.24   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.96 +/- 1.83   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.14 +/- 0.98   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  28.83 +/- 0.88   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  24.24 +/- 0.99   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.11, residual support = 228.4:
      O T QD1   LEU  115 - HB3   LEU  115   2.40 +/- 0.36  99.986% * 99.7570% (0.87  10.0 10.00   6.11 228.38) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.25 +/- 1.08   0.009% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  15.41 +/- 1.20   0.003% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  15.02 +/- 0.52   0.003% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.31, residual support = 228.4:
      O T QD2   LEU  115 - HB3   LEU  115   2.75 +/- 0.40  88.558% * 98.9032% (0.45  10.0 10.00   7.31 228.38) =  99.990%  kept
          QD1   LEU   63 - HB3   LEU  115   5.40 +/- 1.03   3.352% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.007%
          QD2   LEU   63 - HB3   LEU  115   6.71 +/- 1.16   1.039% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB3   LEU   40   5.48 +/- 1.47   5.602% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   40   6.34 +/- 0.56   0.692% *  0.0097% (0.04   1.0  1.00   0.02  18.90) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   8.26 +/- 1.33   0.215% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   9.21 +/- 1.04   0.101% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   8.97 +/- 0.80   0.100% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.56 +/- 0.77   0.298% *  0.0058% (0.03   1.0  1.00   0.02   8.78) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.31 +/- 0.73   0.004% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  12.85 +/- 0.90   0.011% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  14.54 +/- 1.52   0.005% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  13.29 +/- 1.07   0.009% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  14.48 +/- 0.80   0.005% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.22 +/- 1.93   0.002% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.27 +/- 1.54   0.002% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.21 +/- 1.98   0.003% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.09 +/- 1.33   0.002% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.966, support = 7.8, residual support = 95.9:
          HN    GLN  116 - HB3   LEU  115   4.15 +/- 0.16  51.072% * 70.1245% (0.98   8.13 101.62) =  93.661%  kept
          HN    GLU- 114 - HB3   LEU  115   5.78 +/- 0.27   7.378% * 25.4688% (0.84   3.46  15.25) =   4.914%  kept
          HN    THR  118 - HB3   LEU  115   5.59 +/- 0.40   9.725% *  3.4111% (0.80   0.48   0.02) =   0.868%  kept
          HN    LEU   71 - HB3   LEU   40   4.96 +/- 1.06  27.841% *  0.7514% (0.05   1.62   0.02) =   0.547%  kept
          HN    PHE   60 - HB3   LEU  115   6.66 +/- 0.86   3.928% *  0.0996% (0.57   0.02   0.02) =   0.010%
          HN    LEU   71 - HB3   LEU  115  17.76 +/- 0.98   0.009% *  0.0789% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  15.26 +/- 0.87   0.022% *  0.0165% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  16.21 +/- 1.11   0.015% *  0.0117% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.15 +/- 1.10   0.008% *  0.0202% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.46 +/- 0.90   0.004% *  0.0172% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 7.44, residual support = 228.4:
      O   HN    LEU  115 - HB3   LEU  115   3.26 +/- 0.17  98.229% * 99.8421% (0.90  10.0   7.44 228.38) =  99.999%  kept
          HN    ASP- 113 - HB3   LEU  115   6.56 +/- 0.34   1.547% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU  115  11.14 +/- 0.96   0.080% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.91 +/- 0.54   0.139% *  0.0117% (0.11   1.0   0.02   0.73) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.59 +/- 0.91   0.003% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.21 +/- 1.08   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.24:
        T HA    LYS+ 112 - HB2   LEU  115   2.78 +/- 0.70  99.959% * 99.6055% (0.69 10.00   0.75   2.24) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  13.48 +/- 0.49   0.017% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.60 +/- 1.03   0.024% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  26.55 +/- 1.58   0.000% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.931, support = 1.66, residual support = 3.89:
          QE    PHE   95 - HB2   LEU  115   5.37 +/- 2.13  60.691% * 44.9517% (0.98   1.45   3.68) =  56.711%  kept
          QD    PHE   55 - HB2   LEU  115   5.87 +/- 1.04  39.142% * 53.2009% (0.87   1.94   4.16) =  43.288%  kept
          HN    LEU   67 - HB2   LEU  115  14.84 +/- 1.06   0.097% *  0.4094% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU  115  16.69 +/- 1.60   0.049% *  0.1953% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  19.88 +/- 0.81   0.013% *  0.5067% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  22.98 +/- 1.21   0.006% *  0.6107% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  26.19 +/- 1.29   0.003% *  0.1252% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 9 structures by 0.81 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.779, support = 7.39, residual support = 97.6:
          HN    GLN  116 - HB2   LEU  115   3.38 +/- 0.28  78.692% * 80.9924% (0.80   7.55 101.62) =  95.371%  kept
          HN    GLU- 114 - HB2   LEU  115   4.41 +/- 0.25  16.762% * 18.3819% (0.34   4.02  15.25) =   4.611%  kept
          HN    THR  118 - HB2   LEU  115   5.72 +/- 0.26   3.841% *  0.2626% (0.98   0.02   0.02) =   0.015%
          HN    PHE   60 - HB2   LEU  115   7.82 +/- 0.63   0.704% *  0.2626% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  24.29 +/- 0.88   0.001% *  0.1005% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.36, residual support = 228.4:
      O   HN    LEU  115 - HB2   LEU  115   2.07 +/- 0.13  99.416% * 99.8692% (0.90  10.0   7.36 228.38) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   4.94 +/- 0.40   0.581% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  12.31 +/- 0.86   0.003% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.496, support = 5.47, residual support = 70.6:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.04  55.183% * 15.8644% (0.19  10.0   3.58  43.63) =  50.523%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.03  12.129% * 68.0434% (0.82  10.0   7.54 101.62) =  47.629%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.14   1.485% * 12.9218% (0.70   1.0   4.46  15.25) =   1.108%  kept
          HN    GLN  116 - HA    GLU- 114   4.38 +/- 0.29   4.104% *  2.8686% (0.22   1.0   3.08   0.30) =   0.679%  kept
          HN    THR  118 - HA    LEU  115   3.55 +/- 0.34  15.858% *  0.0556% (0.67   1.0   0.02   0.02) =   0.051%
          HN    THR  118 - HA    GLU- 114   3.90 +/- 0.56  11.017% *  0.0152% (0.18   1.0   0.02   0.02) =   0.010%
          HN    PHE   60 - HA    LEU  115   8.19 +/- 0.86   0.108% *  0.0393% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.27 +/- 0.83   0.099% *  0.0220% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  14.14 +/- 1.24   0.004% *  0.0382% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.97 +/- 0.72   0.002% *  0.0325% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.64 +/- 0.59   0.007% *  0.0108% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.77 +/- 1.10   0.001% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.39 +/- 0.74   0.001% *  0.0311% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  22.58 +/- 0.83   0.000% *  0.0174% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.94 +/- 0.86   0.000% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.718, support = 7.49, residual support = 216.0:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.03  79.469% * 78.3350% (0.75  10.0   7.66 228.38) =  94.201%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.04  17.879% * 21.4329% (0.20  10.0   4.85  15.25) =   5.799%  kept
          HN    ASP- 113 - HA    GLU- 114   5.12 +/- 0.11   2.134% *  0.0066% (0.06   1.0   0.02  23.28) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.63 +/- 0.22   0.454% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.12 +/- 0.71   0.039% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.42 +/- 0.81   0.007% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.42 +/- 1.05   0.012% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.12 +/- 0.68   0.005% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.14 +/- 0.77   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.778, support = 7.55, residual support = 228.4:
          HN    LEU  115 - HG    LEU  115   3.74 +/- 0.73  93.304% * 99.4485% (0.78   7.55 228.38) =  99.994%  kept
          HN    ASP- 113 - HG    LEU  115   6.12 +/- 1.19   4.988% *  0.0816% (0.24   0.02   0.02) =   0.004%
          HN    PHE   97 - HG    LEU   40   8.04 +/- 0.72   1.585% *  0.0894% (0.26   0.02   0.73) =   0.002%
          HN    PHE   97 - HG    LEU  115  12.88 +/- 1.02   0.102% *  0.2633% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  17.11 +/- 0.78   0.016% *  0.0894% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.79 +/- 0.95   0.005% *  0.0277% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115   9.87 +/- 0.90 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.73 A violated in 20 structures by 6.14 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.837, support = 1.67, residual support = 4.03:
          QD    PHE   55 - QD1   LEU  115   3.85 +/- 1.05  54.866% * 65.9836% (0.95   1.76   4.16) =  71.227%  kept
          QE    PHE   95 - QD1   LEU  115   4.60 +/- 1.94  45.069% * 32.4489% (0.57   1.45   3.68) =  28.773%  kept
          HN    LEU   67 - QD1   LEU  115  11.34 +/- 1.04   0.057% *  0.1565% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  16.60 +/- 0.86   0.005% *  0.7751% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  18.70 +/- 1.31   0.002% *  0.4160% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  19.91 +/- 1.43   0.001% *  0.2199% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 1 structures by 0.22 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.36, residual support = 28.4:
          QD    PHE   59 - QD1   LEU  115   2.88 +/- 0.61  99.919% * 98.6859% (0.95   4.36  28.39) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  12.51 +/- 1.55   0.075% *  0.3997% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  18.68 +/- 1.03   0.003% *  0.4526% (0.95   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  18.02 +/- 1.08   0.003% *  0.4618% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.833, support = 0.0199, residual support = 3.67:
          QD    PHE   95 - QD2   LEU  115   5.63 +/- 1.67  98.600% * 75.7271% (0.84   0.02   3.68) =  99.547%  kept
          HN    ALA   47 - QD2   LEU  115  12.57 +/- 1.43   1.400% * 24.2729% (0.27   0.02   0.02) =   0.453%
    Distance limit 3.35 A violated in 15 structures by 2.34 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.77, residual support = 28.4:
          QE    PHE   59 - QD2   LEU  115   3.42 +/- 1.31  76.751% * 83.1190% (0.89   2.89  28.39) =  94.734%  kept
          HN    PHE   59 - QD2   LEU  115   5.01 +/- 0.68  22.020% * 16.0893% (0.93   0.54  28.39) =   5.261%  kept
          HN    HIS  122 - QD2   LEU  115   8.01 +/- 0.60   0.883% *  0.2791% (0.43   0.02   0.02) =   0.004%
          HN    LYS+  66 - QD2   LEU  115   9.61 +/- 0.99   0.338% *  0.2791% (0.43   0.02   0.02) =   0.001%
          HH2   TRP   87 - QD2   LEU  115  17.17 +/- 1.65   0.008% *  0.2336% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 7 structures by 0.70 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.97, residual support = 14.5:
        T QD1   ILE  119 - HA    GLN  116   3.14 +/- 0.64  99.416% * 99.5742% (0.61 10.00   3.97  14.55) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  10.30 +/- 2.06   0.376% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  12.59 +/- 0.85   0.048% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.36 +/- 0.58   0.088% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  13.61 +/- 0.77   0.030% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.29 +/- 0.62   0.032% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  18.67 +/- 1.44   0.004% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  18.54 +/- 1.41   0.004% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 1 structures by 0.21 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 101.6:
          QD2   LEU  115 - HA    GLN  116   2.29 +/- 0.35  99.220% * 98.5629% (0.92   6.30 101.62) =  99.998%  kept
          QD1   LEU   63 - HA    GLN  116   6.54 +/- 0.74   0.435% *  0.3321% (0.98   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    GLN  116   6.52 +/- 0.99   0.338% *  0.1519% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    GLN  116  12.59 +/- 0.99   0.006% *  0.2327% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.33 +/- 0.88   0.001% *  0.3321% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.53 +/- 2.01   0.000% *  0.3038% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  19.94 +/- 0.90   0.000% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.43, residual support = 14.5:
          HN    ILE  119 - HA    GLN  116   3.46 +/- 0.20  99.995% * 97.0763% (0.57   2.43  14.55) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  21.99 +/- 1.17   0.002% *  1.3629% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  20.90 +/- 1.48   0.002% *  0.4817% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  26.61 +/- 0.95   0.001% *  0.7995% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  26.27 +/- 0.97   0.001% *  0.2795% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.0, residual support = 114.4:
      O   HN    GLN  116 - HA    GLN  116   2.78 +/- 0.06  94.072% * 89.8706% (0.98  10.0   7.03 115.15) =  99.366%  kept
          HN    THR  118 - HA    GLN  116   4.50 +/- 0.24   5.415% *  9.9598% (0.80   1.0   2.71   0.02) =   0.634%  kept
          HN    GLU- 114 - HA    GLN  116   6.87 +/- 0.20   0.421% *  0.0766% (0.84   1.0   0.02   0.30) =   0.000%
          HN    PHE   60 - HA    GLN  116   9.12 +/- 0.78   0.090% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  18.14 +/- 0.97   0.001% *  0.0411% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   3.04 +/- 0.50  99.690% * 66.5564% (0.49  1.00   0.75   1.50) =  99.977%  kept
          HA    ILE   56 - HB2   GLN  116   9.28 +/- 0.81   0.217% *  3.5189% (0.97  1.00   0.02   0.02) =   0.012%
        T HA    PRO   58 - HB2   GLN  116  12.33 +/- 0.85   0.040% * 14.9903% (0.41 10.00   0.02   0.02) =   0.009%
          HA    LEU  123 - HB2   GLN  116  11.89 +/- 0.65   0.049% *  3.6382% (1.00  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB2   GLN  116  20.37 +/- 0.95   0.002% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.63 +/- 1.03   0.002% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  23.82 +/- 1.07   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  28.26 +/- 0.83   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  29.30 +/- 1.41   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.02, residual support = 101.6:
          QD2   LEU  115 - HB2   GLN  116   3.13 +/- 0.61  98.803% * 97.5356% (0.45   7.03 101.62) =  99.994%  kept
          QD2   LEU   63 - HB2   GLN  116   8.71 +/- 1.05   0.579% *  0.5717% (0.92   0.02   0.02) =   0.003%
          QD1   LEU   63 - HB2   GLN  116   8.53 +/- 0.74   0.579% *  0.4959% (0.80   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   GLN  116  14.26 +/- 0.96   0.018% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  19.24 +/- 0.78   0.003% *  0.4959% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  17.92 +/- 0.72   0.005% *  0.2325% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  16.86 +/- 0.99   0.008% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  21.91 +/- 1.96   0.002% *  0.2546% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  22.02 +/- 1.58   0.002% *  0.1379% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 101.6:
          QD2   LEU  115 - HG2   GLN  116   2.65 +/- 0.72  98.964% * 98.7348% (1.00   6.65 101.62) =  99.998%  kept
          QD1   LEU   63 - HG2   GLN  116   7.83 +/- 1.03   0.543% *  0.2479% (0.84   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG2   GLN  116   7.89 +/- 1.26   0.477% *  0.0740% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  14.30 +/- 1.07   0.011% *  0.2662% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.66 +/- 1.08   0.002% *  0.2479% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.52 +/- 2.21   0.001% *  0.2961% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  21.05 +/- 0.96   0.001% *  0.1331% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.42, residual support = 115.2:
      O   HE21  GLN  116 - HG2   GLN  116   2.56 +/- 0.58  97.987% * 99.6673% (0.65  10.0   4.42 115.15) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   5.71 +/- 0.82   1.905% *  0.0428% (0.28   1.0   0.02   0.24) =   0.001%
          HN    ALA   57 - HG2   GLN  116  10.72 +/- 1.54   0.107% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  24.97 +/- 2.39   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  29.36 +/- 1.54   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 7.06, residual support = 115.1:
          HN    GLN  116 - HG2   GLN  116   3.30 +/- 0.33  96.037% * 99.0622% (0.80   7.06 115.15) =  99.989%  kept
          HN    THR  118 - HG2   GLN  116   6.33 +/- 0.63   2.416% *  0.3434% (0.98   0.02   0.02) =   0.009%
          HN    GLU- 114 - HG2   GLN  116   6.95 +/- 0.80   1.244% *  0.1195% (0.34   0.02   0.30) =   0.002%
          HN    PHE   60 - HG2   GLN  116   9.59 +/- 1.23   0.303% *  0.3434% (0.98   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  24.03 +/- 1.60   0.001% *  0.1315% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.609, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   9.25 +/- 1.42  39.267% * 15.3326% (0.76   0.02   0.02) =  57.410%  kept
          QD    PHE   55 - HB2   GLN  116   8.46 +/- 1.61  58.121% *  6.8436% (0.34   0.02   0.02) =  37.927%  kept
          HN    LEU   67 - HB2   GLN  116  15.16 +/- 1.14   2.132% * 20.0629% (1.00   0.02   0.02) =   4.078%  kept
          HD1   TRP   49 - HB2   GLN  116  21.45 +/- 1.87   0.231% * 16.7579% (0.84   0.02   0.02) =   0.370%
          HN    THR   23 - HB2   GLN  116  27.05 +/- 1.39   0.056% * 16.0651% (0.80   0.02   0.02) =   0.086%
          HE3   TRP   27 - HB2   GLN  116  23.75 +/- 0.85   0.124% *  5.5782% (0.28   0.02   0.02) =   0.066%
          HD2   HIS   22 - HB2   GLN  116  29.63 +/- 1.46   0.034% * 13.7814% (0.69   0.02   0.02) =   0.044%
          HD21  ASN   35 - HB2   GLN  116  29.70 +/- 1.21   0.035% *  5.5782% (0.28   0.02   0.02) =   0.019%
    Distance limit 3.68 A violated in 19 structures by 3.91 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 115.2:
      O   HN    GLN  116 - HB2   GLN  116   2.09 +/- 0.07  99.159% * 99.7303% (0.98  10.0   7.63 115.15) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.23 +/- 0.37   0.458% *  0.0850% (0.84   1.0   0.02   0.30) =   0.000%
          HN    THR  118 - HB2   GLN  116   5.39 +/- 0.29   0.377% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  10.81 +/- 0.77   0.006% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  20.82 +/- 0.95   0.000% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 27.4:
          HN    SER  117 - HB2   GLN  116   3.11 +/- 0.30  99.999% * 99.5577% (0.98   4.86  27.35) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  21.72 +/- 1.15   0.001% *  0.3492% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  28.79 +/- 1.42   0.000% *  0.0931% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.86, residual support = 27.4:
      O   HN    SER  117 - HA    GLN  116   3.60 +/- 0.03  99.995% * 99.8922% (0.98  10.0   4.86  27.35) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  18.99 +/- 1.03   0.005% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  27.57 +/- 1.38   0.001% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.27, residual support = 6.28:
        T QB    ALA  120 - HA    SER  117   2.57 +/- 0.33  96.548% * 99.2618% (0.92 10.00   2.27   6.28) =  99.999%  kept
          HD2   LYS+ 121 - HA    SER  117   5.60 +/- 1.62   3.150% *  0.0188% (0.18  1.00   0.02   0.02) =   0.001%
          HG    LEU  115 - HA    SER  117   7.64 +/- 0.56   0.186% *  0.0993% (0.92  1.00   0.02   1.69) =   0.000%
          HB3   LEU  115 - HA    SER  117   8.30 +/- 0.24   0.105% *  0.0404% (0.38  1.00   0.02   1.69) =   0.000%
          HG    LEU   67 - HA    SER  117  14.31 +/- 2.44   0.005% *  0.0523% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  16.69 +/- 1.15   0.002% *  0.1075% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.56 +/- 1.12   0.002% *  0.0404% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.62 +/- 0.51   0.000% *  0.2990% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.23 +/- 1.31   0.001% *  0.0239% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  22.27 +/- 0.95   0.000% *  0.0566% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.437, support = 1.33, residual support = 15.3:
          HN    ALA  120 - HA    SER  117   3.52 +/- 0.18  89.604% * 13.0003% (0.28   0.75   6.28) =  57.001%  kept
          HE21  GLN  116 - HA    SER  117   6.13 +/- 1.49  10.380% * 84.6538% (0.65   2.10  27.35) =  42.998%  kept
          HN    ALA   57 - HA    SER  117  15.29 +/- 1.09   0.014% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  25.73 +/- 2.77   0.001% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  27.50 +/- 1.26   0.000% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.56, residual support = 15.9:
      O   HN    SER  117 - HA    SER  117   2.77 +/- 0.03  99.999% * 99.9049% (0.57  10.0   3.56  15.91) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.28 +/- 0.87   0.001% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.37 +/- 1.01   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.215, support = 0.0198, residual support = 0.0198:
          HN    LYS+  81 - QB    SER   85   6.89 +/- 0.31  57.566% *  3.4992% (0.12   0.02   0.02) =  43.311%  kept
          QD    PHE   55 - QB    SER  117  10.64 +/- 1.21   6.198% * 14.4446% (0.49   0.02   0.02) =  19.249%  kept
          QE    PHE   95 - QB    SER  117   8.81 +/- 0.96  15.380% *  4.5788% (0.15   0.02   0.02) =  15.141%  kept
          HN    LYS+  81 - QB    SER   48   9.78 +/- 1.34   9.825% *  5.8981% (0.20   0.02   0.02) =  12.459%  kept
          QD    PHE   60 - QB    SER  117  12.56 +/- 0.75   1.640% * 12.2000% (0.41   0.02   0.02) =   4.302%  kept
          QD    PHE   60 - QB    SER   48  11.92 +/- 0.84   2.365% *  3.1728% (0.11   0.02   0.02) =   1.613%  kept
          HE3   TRP   27 - QB    SER   85  11.99 +/- 1.10   2.469% *  2.5923% (0.09   0.02   0.02) =   1.376%  kept
          QD    PHE   55 - QB    SER   48  13.79 +/- 0.82   0.986% *  3.7566% (0.13   0.02   0.02) =   0.797%  kept
          HE3   TRP   27 - QB    SER   48  14.81 +/- 1.09   0.636% *  4.3694% (0.15   0.02   0.02) =   0.597%  kept
          QE    PHE   95 - QB    SER   48  12.76 +/- 1.74   1.840% *  1.1908% (0.04   0.02   0.02) =   0.471%
          HE3   TRP   27 - QB    SER  117  20.61 +/- 0.56   0.081% * 16.8009% (0.57   0.02   0.02) =   0.291%
          QD    PHE   60 - QB    SER   85  16.22 +/- 0.73   0.347% *  1.8824% (0.06   0.02   0.02) =   0.140%
          HN    LYS+  81 - QB    SER  117  25.25 +/- 1.29   0.025% * 22.6789% (0.76   0.02   0.02) =   0.121%
          QE    PHE   95 - QB    SER   85  15.06 +/- 0.57   0.540% *  0.7065% (0.02   0.02   0.02) =   0.082%
          QD    PHE   55 - QB    SER   85  19.89 +/- 1.05   0.104% *  2.2287% (0.08   0.02   0.02) =   0.050%
    Distance limit 3.74 A violated in 20 structures by 2.55 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.6, residual support = 36.6:
      O T QG2   THR  118 - HB    THR  118   2.15 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.60  36.55) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.975, support = 1.52, residual support = 6.03:
          QG1   VAL  107 - HB    THR  118   1.95 +/- 0.37  99.062% * 58.4950% (0.98   1.50   5.84) =  99.366%  kept
          HG13  ILE  119 - HB    THR  118   4.89 +/- 0.43   0.930% * 39.7681% (0.22   4.49  35.96) =   0.634%  kept
          HD3   LYS+ 112 - HB    THR  118  10.57 +/- 1.10   0.008% *  0.6646% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  19.81 +/- 2.08   0.000% *  0.7345% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.47 +/- 0.90   0.000% *  0.1984% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.34 +/- 0.90   0.000% *  0.1393% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.534, support = 1.63, residual support = 8.83:
          QE    PHE   59 - HB    THR  118   3.70 +/- 1.89  87.331% * 37.7397% (0.45   1.70  10.13) =  81.936%  kept
          HN    HIS  122 - HB    THR  118   6.97 +/- 0.17  11.986% * 60.5752% (0.92   1.33   2.93) =  18.050%  kept
          HN    PHE   59 - HB    THR  118   9.80 +/- 1.34   0.607% *  0.8266% (0.84   0.02  10.13) =   0.012%
          HH2   TRP   87 - HB    THR  118  16.84 +/- 1.10   0.077% *  0.8585% (0.87   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 5 structures by 0.56 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.58, residual support = 36.6:
      O   HN    THR  118 - HB    THR  118   2.16 +/- 0.11  99.178% * 99.7459% (0.98  10.0   3.58  36.55) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   5.08 +/- 0.31   0.663% *  0.0815% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB    THR  118   6.60 +/- 0.51   0.140% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.59 +/- 1.17   0.019% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  22.63 +/- 1.06   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.6, residual support = 36.6:
      O T QG2   THR  118 - HA    THR  118   2.61 +/- 0.10 100.000% *100.0000% (0.14  10.0 10.00   3.60  36.55) = 100.000%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.861, support = 0.0199, residual support = 35.8:
        T QG2   ILE  119 - HA    THR  118   6.10 +/- 0.03  84.383% * 82.9340% (0.87 10.00   0.02  35.96) =  99.464%  kept
          QG2   ILE  103 - HA    THR  118   8.54 +/- 0.85  12.979% *  1.5050% (0.16  1.00   0.02   0.02) =   0.278%
          QD1   ILE  103 - HA    THR  118  11.40 +/- 1.00   2.285% *  7.1780% (0.75  1.00   0.02   0.02) =   0.233%
          QD2   LEU   71 - HA    THR  118  16.13 +/- 0.52   0.254% *  6.2402% (0.65  1.00   0.02   0.02) =   0.022%
          HG3   LYS+  74 - HA    THR  118  19.09 +/- 1.29   0.099% *  2.1428% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.10 A violated in 20 structures by 3.01 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.766, support = 2.0, residual support = 10.9:
          QG1   VAL  107 - HA    THR  118   3.95 +/- 0.16  93.701% * 24.6419% (0.88  1.00   1.50   5.84) =  83.343%  kept
        T HG13  ILE  119 - HA    THR  118   6.26 +/- 0.29   6.183% * 74.6264% (0.20 10.00   4.52  35.96) =  16.656%  kept
          HD3   LYS+ 112 - HA    THR  118  12.70 +/- 1.06   0.099% *  0.2800% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  20.84 +/- 2.17   0.006% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  20.39 +/- 1.10   0.005% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  20.25 +/- 0.95   0.005% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.53 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.547, support = 2.55, residual support = 8.4:
        T HB3   LYS+ 121 - HA    THR  118   3.42 +/- 0.44  34.155% * 66.3078% (0.22 10.00   2.62   8.40) =  51.440%  kept
          HD2   LYS+ 121 - HA    THR  118   2.97 +/- 1.21  65.715% * 32.5344% (0.89  1.00   2.47   8.40) =  48.560%  kept
          QD    LYS+  66 - HA    THR  118  11.45 +/- 1.79   0.020% *  0.1931% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118   9.81 +/- 1.08   0.058% *  0.0466% (0.16  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  10.17 +/- 0.96   0.040% *  0.0663% (0.22  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.17 +/- 1.41   0.002% *  0.2659% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  13.08 +/- 1.01   0.008% *  0.0592% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  19.21 +/- 1.20   0.001% *  0.2221% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.50 +/- 0.74   0.000% *  0.2636% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.95 +/- 1.41   0.001% *  0.0410% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.682, support = 0.0199, residual support = 35.8:
        T HB    ILE  119 - HA    THR  118   5.81 +/- 0.09  95.600% * 57.0728% (0.69 10.00   0.02  35.96) =  99.526%  kept
          HB    VAL  108 - HA    THR  118  11.12 +/- 0.57   2.080% *  7.0645% (0.85  1.00   0.02   0.02) =   0.268%
          HB2   PRO   93 - HA    THR  118  13.41 +/- 2.10   1.254% *  7.0645% (0.85  1.00   0.02   0.02) =   0.162%
          HG2   PRO   58 - HA    THR  118  14.07 +/- 1.23   0.546% *  1.3079% (0.16  1.00   0.02   0.02) =   0.013%
          HB3   GLU- 100 - HA    THR  118  18.14 +/- 1.28   0.116% *  5.1298% (0.62  1.00   0.02   0.02) =   0.011%
          HB2   ARG+  54 - HA    THR  118  20.10 +/- 1.07   0.060% *  7.3202% (0.88  1.00   0.02   0.02) =   0.008%
          HB2   GLN   30 - HA    THR  118  20.91 +/- 0.84   0.046% *  5.7073% (0.69  1.00   0.02   0.02) =   0.005%
          HB3   PRO   68 - HA    THR  118  17.60 +/- 1.67   0.146% *  1.1523% (0.14  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - HA    THR  118  18.40 +/- 1.29   0.107% *  1.3079% (0.16  1.00   0.02   0.02) =   0.003%
          HG3   GLN   30 - HA    THR  118  22.77 +/- 1.23   0.029% *  3.3482% (0.40  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  25.82 +/- 1.39   0.013% *  1.6626% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    THR  118  33.16 +/- 2.58   0.003% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 20 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.402, support = 0.02, residual support = 35.9:
        T HG12  ILE  119 - HA    THR  118   5.21 +/- 0.16  99.376% * 44.9828% (0.40 10.00   0.02  35.96) =  99.873%  kept
          HB2   ASP-  44 - HA    THR  118  13.87 +/- 1.16   0.323% *  9.4912% (0.85  1.00   0.02   0.02) =   0.069%
          HB3   PHE   72 - HA    THR  118  15.11 +/- 0.99   0.179% *  8.7032% (0.78  1.00   0.02   0.02) =   0.035%
          QG    GLN   90 - HA    THR  118  18.95 +/- 1.77   0.054% *  8.0341% (0.72  1.00   0.02   0.02) =   0.010%
          QG    GLU-  15 - HA    THR  118  19.16 +/- 1.17   0.043% *  9.9446% (0.89  1.00   0.02   0.02) =   0.010%
          QG    GLU-  14 - HA    THR  118  23.05 +/- 1.25   0.014% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  28.91 +/- 1.81   0.004% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  26.67 +/- 0.82   0.006% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 20 structures by 1.47 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 36.6:
      O T HB    THR  118 - HA    THR  118   3.03 +/- 0.03  99.937% * 99.8099% (0.72  10.0 10.00   3.00  36.55) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.85 +/- 1.06   0.057% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  17.50 +/- 1.29   0.003% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.68 +/- 1.08   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.85 +/- 1.18   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.27 +/- 1.42   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 0.0199, residual support = 10.1:
          QD    PHE   59 - HA    THR  118   7.36 +/- 1.10  99.273% * 25.6201% (0.85   0.02  10.13) =  99.290%  kept
          HE21  GLN   30 - HA    THR  118  20.55 +/- 0.91   0.290% * 26.1376% (0.87   0.02   0.02) =   0.296%
          HD1   TRP   27 - HA    THR  118  21.03 +/- 1.28   0.242% * 25.6201% (0.85   0.02   0.02) =   0.242%
          HH2   TRP   49 - HA    THR  118  21.53 +/- 1.77   0.195% * 22.6222% (0.75   0.02   0.02) =   0.173%
    Distance limit 3.39 A violated in 20 structures by 3.97 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.92 +/- 0.19  99.740% * 43.4534% (0.47   0.02   0.02) =  99.816%  kept
          HZ2   TRP   49 - HA    THR  118  20.74 +/- 1.39   0.157% * 40.2018% (0.44   0.02   0.02) =   0.145%
          HE21  GLN   17 - HA    THR  118  22.32 +/- 1.67   0.103% * 16.3448% (0.18   0.02   0.02) =   0.039%
    Distance limit 3.77 A violated in 20 structures by 3.15 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.3, residual support = 36.0:
      O   HN    ILE  119 - HA    THR  118   3.58 +/- 0.05  99.989% * 99.6357% (0.51  10.0   5.30  35.96) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.23 +/- 1.07   0.002% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  18.53 +/- 1.31   0.006% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.46 +/- 0.86   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.67 +/- 0.97   0.002% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.69, residual support = 36.6:
      O   HN    THR  118 - HA    THR  118   2.82 +/- 0.04  99.510% * 99.6520% (0.51  10.0   3.69  36.55) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   6.89 +/- 0.17   0.471% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  12.01 +/- 1.01   0.019% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  22.97 +/- 1.07   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.379, support = 3.05, residual support = 36.5:
      O T HA    THR  118 - HB    THR  118   3.03 +/- 0.03  93.156% * 73.6999% (0.38  10.0 10.00   3.00  36.55) =  97.518%  kept
          HA    ILE  119 - HB    THR  118   4.72 +/- 0.19   6.752% * 25.8815% (0.53   1.0  1.00   5.01  35.96) =   2.482%  kept
          HD3   PRO   58 - HB    THR  118  11.31 +/- 1.22   0.041% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  11.17 +/- 0.86   0.045% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.09 +/- 0.98   0.002% *  0.1501% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  18.10 +/- 1.15   0.002% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  21.89 +/- 1.28   0.001% *  0.0880% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.514, support = 3.23, residual support = 7.6:
          QG1   VAL  107 - QG2   THR  118   2.03 +/- 0.44  97.208% * 31.2199% (0.51   3.09   5.84) =  94.156%  kept
          HG13  ILE  119 - QG2   THR  118   4.00 +/- 0.58   2.779% * 67.7760% (0.62   5.52  35.96) =   5.844%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.52 +/- 1.03   0.008% *  0.3448% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  15.33 +/- 1.76   0.002% *  0.3204% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.14 +/- 0.83   0.001% *  0.2594% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.09 +/- 1.18   0.002% *  0.0795% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.253, support = 1.59, residual support = 5.04:
        T HB3   ASP- 105 - QG2   THR  118   3.24 +/- 0.45  91.957% * 81.2031% (0.25 10.00   1.59   5.07) =  98.407%  kept
          QB    LYS+ 106 - QG2   THR  118   5.04 +/- 0.53   7.355% * 16.4141% (0.51  1.00   1.58   2.84) =   1.591%  kept
          HB    ILE   56 - QG2   THR  118   9.11 +/- 0.74   0.309% *  0.3477% (0.85  1.00   0.02   0.02) =   0.001%
          HB3   PRO   58 - QG2   THR  118  11.80 +/- 1.04   0.070% *  0.2525% (0.62  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   THR  118  12.35 +/- 0.99   0.053% *  0.3188% (0.78  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   THR  118   9.45 +/- 0.65   0.168% *  0.0818% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.65 +/- 0.73   0.011% *  0.3547% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  15.93 +/- 0.77   0.008% *  0.3667% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  13.08 +/- 1.67   0.034% *  0.0727% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  15.95 +/- 1.12   0.009% *  0.1648% (0.40  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  15.31 +/- 1.07   0.014% *  0.0917% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  16.13 +/- 0.66   0.009% *  0.1379% (0.34  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  17.74 +/- 0.91   0.005% *  0.1934% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.558, support = 2.21, residual support = 10.3:
        T HB2   ASP- 105 - QG2   THR  118   2.64 +/- 0.72  71.769% * 65.2508% (0.51 10.00   1.59   5.07) =  83.035%  kept
          HG12  ILE  119 - QG2   THR  118   3.31 +/- 0.52  28.078% * 34.0762% (0.80  1.00   5.24  35.96) =  16.965%  kept
          HB2   ASP-  44 - QG2   THR  118   8.99 +/- 1.07   0.100% *  0.0544% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118  10.45 +/- 0.96   0.030% *  0.0706% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  13.13 +/- 0.78   0.007% *  0.1339% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  13.91 +/- 1.22   0.005% *  0.0821% (0.51  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.68 +/- 1.10   0.004% *  0.0403% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.17 +/- 1.08   0.003% *  0.0403% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.96 +/- 1.04   0.002% *  0.0495% (0.31  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  17.60 +/- 1.20   0.001% *  0.0596% (0.37  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.99 +/- 0.75   0.000% *  0.1422% (0.88  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.369, support = 3.92, residual support = 36.4:
      O T HA    THR  118 - QG2   THR  118   2.61 +/- 0.10  81.789% * 41.5367% (0.34  10.0 10.00   3.60  36.55) =  76.273%  kept
        T HA    ILE  119 - QG2   THR  118   3.42 +/- 0.21  18.149% * 58.2274% (0.47   1.0 10.00   4.96  35.96) =  23.727%  kept
          HD3   PRO   58 - QG2   THR  118  10.12 +/- 1.00   0.027% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118  10.13 +/- 0.61   0.027% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  13.94 +/- 0.79   0.004% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  14.21 +/- 0.93   0.003% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.67 +/- 1.02   0.001% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.6, residual support = 36.6:
      O T HB    THR  118 - QG2   THR  118   2.15 +/- 0.01  99.850% * 99.8099% (0.72  10.0 10.00   3.60  36.55) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.79 +/- 1.07   0.145% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  12.45 +/- 1.00   0.003% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.26 +/- 0.81   0.001% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.88 +/- 0.81   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  18.93 +/- 1.28   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.983, residual support = 2.93:
          HD2   HIS  122 - QG2   THR  118   3.32 +/- 0.10  99.261% * 96.4975% (0.90   0.98   2.93) =  99.990%  kept
          HE22  GLN  116 - QG2   THR  118   8.91 +/- 0.80   0.318% *  1.9587% (0.89   0.02   0.02) =   0.006%
          QD    PHE   45 - QG2   THR  118   8.48 +/- 0.68   0.416% *  0.7368% (0.34   0.02   0.02) =   0.003%
          HE22  GLN   17 - QG2   THR  118  17.61 +/- 1.52   0.005% *  0.8070% (0.37   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.37 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.17, residual support = 10.1:
          QD    PHE   59 - QG2   THR  118   4.85 +/- 1.15  99.483% * 98.2039% (0.85   3.17  10.13) =  99.997%  kept
          HE21  GLN   30 - QG2   THR  118  15.01 +/- 0.84   0.218% *  0.6312% (0.87   0.02   0.02) =   0.001%
          HD1   TRP   27 - QG2   THR  118  15.24 +/- 0.98   0.189% *  0.6187% (0.85   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   THR  118  16.30 +/- 1.50   0.109% *  0.5463% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 12 structures by 1.48 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.96, residual support = 36.0:
        T QG2   THR  118 - HA    ILE  119   3.42 +/- 0.21 100.000% *100.0000% (0.57 10.00   4.96  35.96) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.495, support = 4.25, residual support = 39.3:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.02  46.987% * 59.4532% (0.45   5.04  55.04) =  69.895%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.70 +/- 1.04  31.105% * 38.5462% (0.61   2.41   2.92) =  30.000%  kept
          HG    LEU  115 - HA    ILE  119   7.08 +/- 1.15  10.576% *  0.2360% (0.45   0.02   7.67) =   0.062%
          QD    LYS+  66 - HA    ILE  119   7.61 +/- 1.95  10.467% *  0.1313% (0.25   0.02   0.02) =   0.034%
          HB3   LEU   40 - HA    ILE  119  11.52 +/- 1.29   0.446% *  0.3616% (0.69   0.02   0.02) =   0.004%
          HG2   LYS+  65 - HA    ILE  119  11.79 +/- 1.38   0.364% *  0.3616% (0.69   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HA    ILE  119  16.74 +/- 0.89   0.037% *  0.5080% (0.97   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ILE  119  18.62 +/- 0.57   0.018% *  0.4023% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 13 structures by 0.84 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 17.9:
          QD    PHE   59 - HA    ILE  119   5.37 +/- 0.88  99.795% * 25.6201% (0.95   0.02  17.98) =  99.796%  kept
          HE21  GLN   30 - HA    ILE  119  18.07 +/- 0.96   0.119% * 26.1376% (0.97   0.02   0.02) =   0.122%
          HD1   TRP   27 - HA    ILE  119  20.16 +/- 1.19   0.055% * 25.6201% (0.95   0.02   0.02) =   0.055%
          HH2   TRP   49 - HA    ILE  119  21.75 +/- 1.61   0.030% * 22.6222% (0.84   0.02   0.02) =   0.027%
    Distance limit 3.18 A violated in 17 structures by 2.19 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.72, residual support = 255.5:
      O   HN    ILE  119 - HA    ILE  119   2.83 +/- 0.02  99.997% * 99.7485% (0.98  10.0   8.72 255.51) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  18.86 +/- 0.72   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  19.60 +/- 1.35   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.17 +/- 1.04   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  21.88 +/- 0.89   0.000% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.202, support = 5.83, residual support = 52.6:
      O   HN    ALA  120 - HA    ILE  119   3.61 +/- 0.03  88.757% * 72.3636% (0.18  10.0   6.02  55.04) =  95.654%  kept
          HN    LEU  123 - HA    ILE  119   5.14 +/- 0.18  10.876% * 26.8182% (0.80   1.0   1.62   0.02) =   4.344%  kept
          HN    ALA  124 - HA    ILE  119   9.07 +/- 0.26   0.361% *  0.4050% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  18.29 +/- 1.52   0.006% *  0.4132% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.74, residual support = 14.5:
          HA    GLN  116 - HB    ILE  119   2.77 +/- 0.54  99.980% * 96.8152% (0.84   2.74  14.55) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  15.02 +/- 1.16   0.006% *  0.7079% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  14.97 +/- 1.02   0.007% *  0.3859% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  15.29 +/- 1.18   0.006% *  0.2264% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  22.40 +/- 1.10   0.001% *  0.4745% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  25.66 +/- 1.03   0.000% *  0.5327% (0.63   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  27.27 +/- 0.95   0.000% *  0.4153% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.55 +/- 0.76   0.001% *  0.1132% (0.13   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  28.02 +/- 0.93   0.000% *  0.3289% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 5.01, residual support = 54.8:
          HN    ALA  120 - HB    ILE  119   2.64 +/- 0.16  90.681% * 93.3735% (0.53   5.03  55.04) =  99.447%  kept
          HE21  GLN  116 - HB    ILE  119   5.19 +/- 1.54   8.687% *  5.4069% (0.22   0.71  14.55) =   0.552%  kept
          HN    LEU  123 - HB    ILE  119   6.18 +/- 0.19   0.576% *  0.1888% (0.27   0.02   0.02) =   0.001%
          HN    ALA  124 - HB    ILE  119   9.67 +/- 0.25   0.039% *  0.4897% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  11.49 +/- 0.92   0.016% *  0.1210% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  19.29 +/- 1.69   0.001% *  0.4201% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3310 (7.92, 2.03, 38.31 ppm):
    5 chemical-shift based assignments, quality = 0.85, support = 7.54, residual support = 255.5:
      O   HN    ILE  119 - HB    ILE  119   2.37 +/- 0.12  99.999% * 99.7485% (0.85  10.0   7.54 255.51) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  20.45 +/- 0.85   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  20.67 +/- 1.42   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  23.95 +/- 1.15   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  24.49 +/- 1.04   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 55.0:
          HA    ALA  120 - QG2   ILE  119   3.52 +/- 0.18  96.943% * 94.9062% (0.57   3.85  55.04) =  99.988%  kept
          HA    LYS+  65 - QG2   ILE  119   8.36 +/- 0.95   0.786% *  0.8240% (0.95   0.02   0.02) =   0.007%
          HA    LYS+ 121 - QG2   ILE  119   6.69 +/- 0.16   2.108% *  0.1724% (0.20   0.02   2.92) =   0.004%
          HA2   GLY   16 - QG2   ILE  119  11.73 +/- 1.07   0.086% *  0.7813% (0.90   0.02   0.02) =   0.001%
          HD2   PRO   52 - QG2   ILE  119  16.05 +/- 0.80   0.013% *  0.6657% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.33 +/- 0.82   0.037% *  0.2172% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  20.22 +/- 0.93   0.003% *  0.7813% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  18.14 +/- 0.66   0.006% *  0.2971% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  20.25 +/- 1.15   0.003% *  0.4583% (0.53   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.83 +/- 0.67   0.005% *  0.2689% (0.31   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  20.82 +/- 1.16   0.002% *  0.4932% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  17.20 +/- 0.84   0.008% *  0.1344% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.596, support = 5.51, residual support = 53.1:
          HN    ALA  120 - QG2   ILE  119   3.40 +/- 0.21  65.662% * 83.5021% (0.61   5.63  55.04) =  96.517%  kept
          HN    LEU  123 - QG2   ILE  119   4.55 +/- 0.29  12.533% * 15.5523% (0.31   2.06   0.02) =   3.431%  kept
          HE21  GLN  116 - QG2   ILE  119   5.18 +/- 1.69  20.618% *  0.1219% (0.25   0.02  14.55) =   0.044%
          HN    ALA  124 - QG2   ILE  119   6.94 +/- 0.37   0.992% *  0.3913% (0.80   0.02   0.02) =   0.007%
          HN    ALA   57 - QG2   ILE  119   9.69 +/- 0.84   0.178% *  0.0967% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  14.37 +/- 1.44   0.018% *  0.3357% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.87, residual support = 255.5:
          HN    ILE  119 - QG2   ILE  119   3.69 +/- 0.03  99.969% * 99.2741% (0.80   7.87 255.51) = 100.000%  kept
          HN    ILE   89 - QG2   ILE  119  17.81 +/- 1.15   0.009% *  0.3040% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - QG2   ILE  119  18.74 +/- 1.17   0.006% *  0.3144% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  16.07 +/- 0.81   0.016% *  0.1075% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.805, support = 1.9, residual support = 5.99:
          QD2   LEU  115 - HG12  ILE  119   3.46 +/- 1.03  55.132% * 66.2790% (0.90   2.04   7.67) =  72.290%  kept
          QD1   LEU   63 - HG12  ILE  119   3.64 +/- 0.75  44.775% * 31.2810% (0.57   1.53   1.59) =  27.709%  kept
          QD1   LEU  104 - HG12  ILE  119  10.39 +/- 1.02   0.064% *  0.7241% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG12  ILE  119  14.30 +/- 0.74   0.008% *  0.4100% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  17.13 +/- 1.19   0.004% *  0.5258% (0.73   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  17.77 +/- 1.78   0.003% *  0.6684% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  13.39 +/- 0.72   0.014% *  0.1117% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.731, support = 1.77, residual support = 4.62:
          QD1   LEU   63 - HG13  ILE  119   3.05 +/- 0.99  70.596% * 28.7419% (0.57   1.41   1.59) =  50.122%  kept
          QD2   LEU  115 - HG13  ILE  119   4.15 +/- 1.35  29.335% * 68.8304% (0.90   2.13   7.67) =  49.877%  kept
          QD1   LEU  104 - HG13  ILE  119  10.32 +/- 1.18   0.048% *  0.7205% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG13  ILE  119  13.63 +/- 1.06   0.008% *  0.4079% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  17.39 +/- 1.82   0.002% *  0.6651% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  16.93 +/- 1.26   0.002% *  0.5232% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  13.58 +/- 0.79   0.009% *  0.1112% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119   8.98 +/- 1.34 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.52 A violated in 20 structures by 5.45 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.85, residual support = 18.0:
          QD    PHE   59 - HG13  ILE  119   3.53 +/- 0.64  99.981% * 98.0015% (0.95   2.85  17.98) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  17.81 +/- 1.51   0.010% *  0.7023% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  19.76 +/- 1.29   0.005% *  0.6884% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  19.63 +/- 1.61   0.005% *  0.6078% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.95, residual support = 255.5:
          HN    ILE  119 - HG13  ILE  119   3.42 +/- 0.29  99.987% * 99.1791% (0.80   6.95 255.51) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  18.62 +/- 1.34   0.005% *  0.3439% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  17.74 +/- 1.19   0.006% *  0.1215% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  22.09 +/- 1.32   0.002% *  0.3555% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.7, residual support = 18.0:
          QD    PHE   59 - HG12  ILE  119   3.09 +/- 0.92  99.982% * 98.9544% (0.84   3.70  17.98) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  18.89 +/- 1.19   0.009% *  0.3121% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  20.32 +/- 1.12   0.005% *  0.5356% (0.84   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  19.07 +/- 1.63   0.005% *  0.1979% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 2 structures by 0.26 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.78, residual support = 255.5:
          HN    ILE  119 - HG12  ILE  119   2.21 +/- 0.23  99.999% * 99.2655% (0.80   7.78 255.51) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  18.24 +/- 1.37   0.000% *  0.3077% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  18.68 +/- 0.77   0.000% *  0.1087% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  23.01 +/- 1.08   0.000% *  0.3181% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.57 +/- 1.27 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.00 A violated in 20 structures by 5.57 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.296, support = 3.32, residual support = 5.19:
          QD2   LEU  115 - QD1   ILE  119   2.46 +/- 0.62  66.452% * 40.3721% (0.40  1.00   4.48   7.67) =  59.248%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.20 +/- 0.96  33.512% * 55.0600% (0.15 10.00   1.63   1.59) =  40.750%  kept
        T QD1   LEU  104 - QD1   ILE  119   9.86 +/- 1.24   0.021% *  3.0100% (0.66 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD1   ILE  119  12.19 +/- 1.03   0.005% *  0.6761% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  11.45 +/- 0.81   0.007% *  0.2481% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  14.69 +/- 1.16   0.002% *  0.4372% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  14.94 +/- 1.61   0.002% *  0.1965% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.97, residual support = 14.5:
        T HA    GLN  116 - QD1   ILE  119   3.14 +/- 0.64  99.682% * 99.4587% (0.51 10.00   3.97  14.55) = 100.000%  kept
          HA    VAL   70 - QD1   ILE  119  12.35 +/- 1.39   0.131% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD1   ILE  119  12.03 +/- 1.05   0.061% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  10.94 +/- 0.97   0.114% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  18.51 +/- 1.42   0.007% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  20.79 +/- 1.36   0.003% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  21.65 +/- 1.32   0.002% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 1 structures by 0.23 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.09 +/- 1.08  61.919% * 81.6578% (0.96 10.00   0.02   0.02) =  87.862%  kept
        T QD    PHE   72 - QD1   ILE  119   7.69 +/- 0.84  38.081% * 18.3422% (0.21 10.00   0.02   0.02) =  12.138%  kept
    Distance limit 3.23 A violated in 20 structures by 3.28 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.511, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.15 +/- 1.07  72.742% * 23.3518% (0.47   0.02   0.02) =  67.880%  kept
          QE    PHE   72 - QD1   ILE  119   6.30 +/- 0.91  26.680% * 29.0981% (0.59   0.02   0.02) =  31.023%  kept
          HN    ALA   47 - QD1   ILE  119  12.55 +/- 0.68   0.578% * 47.5501% (0.96   0.02   0.02) =   1.098%  kept
    Distance limit 3.28 A violated in 15 structures by 1.60 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.853, support = 1.52, residual support = 13.6:
          HN    HIS  122 - QD1   ILE  119   6.35 +/- 0.62  16.590% * 98.1876% (0.87   1.55  13.52) =  97.596%  kept
          HN    PHE   59 - QD1   ILE  119   4.63 +/- 1.24  83.351% *  0.4803% (0.33   0.02  17.98) =   2.399%  kept
          HH2   TRP   87 - QD1   ILE  119  16.00 +/- 1.60   0.059% *  1.3321% (0.91   0.02   0.02) =   0.005%
    Distance limit 3.42 A violated in 7 structures by 0.79 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.95, residual support = 255.5:
          HN    ILE  119 - QD1   ILE  119   3.50 +/- 0.22  99.959% * 99.2798% (0.95   6.95 255.51) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  15.29 +/- 0.92   0.017% *  0.2434% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  15.88 +/- 1.37   0.016% *  0.2434% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  19.74 +/- 1.46   0.004% *  0.1885% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  19.64 +/- 1.37   0.004% *  0.0450% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.24, residual support = 25.0:
        T QD1   LEU  123 - HA    ALA  120   2.38 +/- 0.48  99.862% * 99.1996% (0.45 10.00   5.24  25.03) = 100.000%  kept
          HB3   LEU   63 - HA    ALA  120   9.23 +/- 1.19   0.071% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120  10.04 +/- 1.07   0.041% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  14.62 +/- 1.23   0.006% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  12.01 +/- 1.19   0.015% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.51 +/- 0.57   0.003% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  16.84 +/- 1.35   0.002% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 3.61, residual support = 19.8:
          HN    LEU  123 - HA    ALA  120   2.68 +/- 0.12  55.990% * 44.8733% (0.80   1.0   3.60  25.03) =  51.424%  kept
      O   HN    ALA  120 - HA    ALA  120   2.80 +/- 0.04  43.537% * 54.5104% (0.18  10.0   3.61  14.36) =  48.573%  kept
          HN    ALA  124 - HA    ALA  120   5.93 +/- 0.12   0.473% *  0.3051% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  20.76 +/- 1.57   0.000% *  0.3113% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.37, residual support = 316.2:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  99.995% * 99.7700% (0.45  10.0   6.37 316.18) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  25.55 +/- 1.39   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  14.90 +/- 1.10   0.004% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.65 +/- 0.80   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3332 (3.69, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.875, support = 2.68, residual support = 7.98:
          HA    THR  118 - HB2   LYS+ 121   2.52 +/- 0.59  95.875% * 33.8770% (0.87   2.54   8.40) =  92.343%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.74 +/- 0.29   4.122% * 65.3445% (0.97   4.40   2.92) =   7.657%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.88 +/- 1.10   0.003% *  0.1741% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  21.52 +/- 1.26   0.001% *  0.2350% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  20.97 +/- 0.92   0.001% *  0.0855% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  26.87 +/- 1.33   0.000% *  0.2839% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.725, support = 2.63, residual support = 8.34:
        T HA    THR  118 - HB3   LYS+ 121   3.42 +/- 0.44  94.995% * 82.9105% (0.72 10.00   2.62   8.40) =  98.944%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.76 +/- 0.44   4.992% * 16.8475% (0.81  1.00   3.65   2.92) =   1.056%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.68 +/- 0.81   0.009% *  0.0541% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  22.15 +/- 1.52   0.002% *  0.0730% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.70 +/- 1.27   0.002% *  0.0266% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  27.92 +/- 1.30   0.000% *  0.0882% (0.77  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.4, residual support = 316.2:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.03 +/- 0.45  99.999% * 99.9582% (0.75  10.0   6.40 316.18) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  23.97 +/- 1.42   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.39, residual support = 51.0:
          HN    HIS  122 - HB3   LYS+ 121   3.88 +/- 0.31  99.951% * 99.5530% (0.75   6.39  51.00) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  14.68 +/- 1.09   0.039% *  0.1185% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  18.30 +/- 1.54   0.010% *  0.3285% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.43, residual support = 51.0:
          HN    HIS  122 - HB2   LYS+ 121   3.41 +/- 0.16  99.483% * 99.2404% (0.41   7.43  51.00) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.66 +/- 1.05   0.510% *  0.2217% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   LYS+ 121  18.08 +/- 1.31   0.005% *  0.3163% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  21.51 +/- 1.54   0.002% *  0.2217% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.93, residual support = 316.2:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.22 +/- 0.37 100.000% * 99.9061% (0.92  10.0   6.93 316.18) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  23.00 +/- 1.40   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.383, support = 0.857, residual support = 2.98:
          QD2   LEU   67 - HB2   HIS  122   4.80 +/- 2.70  52.853% * 25.0478% (0.41   0.74   0.79) =  59.915%  kept
          QD1   LEU   40 - HB2   HIS  122   4.70 +/- 1.35  40.837% * 12.2961% (0.20   0.75   0.71) =  22.726%  kept
          QG2   ILE  119 - HB2   HIS  122   5.36 +/- 0.41   6.218% * 61.6778% (0.53   1.42  13.52) =  17.357%  kept
          QD2   LEU   71 - HB2   HIS  122  11.71 +/- 0.82   0.056% *  0.4131% (0.25   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   HIS  122  12.89 +/- 1.33   0.036% *  0.5652% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.589, support = 0.0198, residual support = 0.0198:
          QD1   LEU  104 - HB2   HIS  122   6.63 +/- 1.62  51.118% * 20.0916% (0.69   0.02   0.02) =  79.574%  kept
          QD1   LEU   63 - HB2   HIS  122   6.74 +/- 1.07  42.713% *  4.5130% (0.15   0.02   0.02) =  14.935%  kept
          QD2   LEU  115 - HB2   HIS  122   9.91 +/- 0.84   4.983% * 12.0248% (0.41   0.02   0.02) =   4.643%  kept
          QD1   LEU   73 - HB2   HIS  122  13.28 +/- 0.83   0.817% *  4.5130% (0.15   0.02   0.02) =   0.286%
          QG1   VAL   83 - HB2   HIS  122  18.46 +/- 1.38   0.117% * 29.1845% (1.00   0.02   0.02) =   0.265%
          QG2   ILE   89 - HB2   HIS  122  17.40 +/- 1.11   0.155% * 16.5597% (0.57   0.02   0.02) =   0.199%
          QD2   LEU   80 - HB2   HIS  122  19.24 +/- 2.31   0.096% * 13.1134% (0.45   0.02   0.02) =   0.098%
    Distance limit 3.98 A violated in 15 structures by 1.66 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 69.9:
      O   HD2   HIS  122 - HB2   HIS  122   3.86 +/- 0.07  99.784% * 99.8219% (1.00  10.0   3.48  69.94) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.83 +/- 1.55   0.176% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.00 +/- 0.98   0.032% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  18.93 +/- 1.27   0.008% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.35, residual support = 69.9:
      O   HN    HIS  122 - HB2   HIS  122   3.64 +/- 0.05  99.668% * 99.7165% (0.41  10.0   5.35  69.94) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   9.89 +/- 0.86   0.320% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  18.34 +/- 2.04   0.008% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  19.95 +/- 1.91   0.004% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 69.9:
      O   HD2   HIS  122 - HB3   HIS  122   2.79 +/- 0.05  99.937% * 99.8219% (1.00  10.0   3.98  69.94) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.69 +/- 1.71   0.056% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  14.28 +/- 1.01   0.006% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.26 +/- 1.45   0.001% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.17, residual support = 69.9:
      O   HN    HIS  122 - HB3   HIS  122   2.62 +/- 0.24  99.989% * 99.8567% (0.90  10.0   6.17  69.94) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.77 +/- 1.15   0.009% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  18.05 +/- 2.10   0.002% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.352, support = 0.801, residual support = 5.29:
        T QD1   LEU   40 - HB3   HIS  122   5.35 +/- 1.36  27.927% * 52.7648% (0.20 10.00   0.53   0.71) =  46.745%  kept
          QG2   ILE  119 - HB3   HIS  122   4.41 +/- 0.91  36.034% * 31.1653% (0.53  1.00   1.18  13.52) =  35.625%  kept
          QD2   LEU   67 - HB3   HIS  122   5.48 +/- 2.74  35.907% * 15.4771% (0.41  1.00   0.75   0.79) =  17.629%  kept
          QD1   ILE  103 - HB3   HIS  122  12.59 +/- 1.56   0.082% *  0.3424% (0.34  1.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB3   HIS  122  12.37 +/- 0.79   0.050% *  0.2503% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.13, residual support = 25.0:
          HA    ALA  120 - HG    LEU  123   2.32 +/- 0.73  99.126% * 94.8766% (0.68  1.00   3.13  25.03) =  99.996%  kept
          HA    LYS+ 121 - HG    LEU  123   6.66 +/- 0.43   0.755% *  0.4195% (0.47  1.00   0.02   2.29) =   0.003%
          QB    SER  117 - HG    LEU  123   8.76 +/- 0.70   0.084% *  0.2083% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  12.33 +/- 1.17   0.028% *  0.5101% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  15.80 +/- 1.52   0.006% *  0.5477% (0.62  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.61 +/- 1.35   0.000% *  1.5229% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  20.15 +/- 1.19   0.001% *  0.4668% (0.52  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.88 +/- 1.04   0.000% *  0.5298% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.88 +/- 1.33   0.000% *  0.3704% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  27.83 +/- 1.34   0.000% *  0.5477% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.52, residual support = 200.3:
          HN    LEU  123 - HG    LEU  123   3.59 +/- 0.16  99.995% * 99.5304% (0.36   5.52 200.30) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  19.95 +/- 1.98   0.004% *  0.1357% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  25.48 +/- 1.21   0.001% *  0.3339% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 25.0:
          HA    ALA  120 - HB3   LEU  123   3.14 +/- 0.68  97.971% * 96.1951% (0.99   3.13  25.03) =  99.991%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.21 +/- 0.65   1.832% *  0.4254% (0.69   0.02   2.29) =   0.008%
          QB    SER  117 - HB3   LEU  123   9.49 +/- 0.66   0.160% *  0.2112% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  13.48 +/- 1.09   0.026% *  0.5172% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  16.46 +/- 1.60   0.009% *  0.5554% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.64 +/- 1.20   0.001% *  0.4732% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  27.55 +/- 1.01   0.000% *  0.5371% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  26.88 +/- 1.19   0.000% *  0.3756% (0.61   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  28.94 +/- 1.51   0.000% *  0.5554% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  25.54 +/- 1.22   0.000% *  0.1544% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.921, support = 5.38, residual support = 173.5:
      O   HN    LEU  123 - HB3   LEU  123   3.19 +/- 0.57  44.024% * 88.3634% (0.98  10.0   5.52 200.30) =  85.723%  kept
          HN    ALA  124 - HB3   LEU  123   3.28 +/- 0.53  55.976% * 11.5747% (0.57   1.0   4.54  12.26) =  14.277%  kept
          HE21  GLN   17 - HB3   LEU  123  21.00 +/- 1.82   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.13, residual support = 25.0:
          HA    ALA  120 - HB2   LEU  123   2.26 +/- 0.56  99.083% * 88.6771% (0.99  1.00   3.14  25.03) =  99.961%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.22 +/- 0.51   0.856% *  3.9195% (0.69 10.00   0.02   2.29) =   0.038%
        T HA    LYS+  65 - HB2   LEU  123  13.71 +/- 0.99   0.005% *  4.7660% (0.84 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   8.61 +/- 0.56   0.053% *  0.1946% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  16.75 +/- 1.36   0.001% *  0.5117% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.84 +/- 0.99   0.000% *  0.4361% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  27.05 +/- 0.90   0.000% *  0.4950% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  28.23 +/- 1.27   0.000% *  0.5117% (0.90  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  26.40 +/- 1.08   0.000% *  0.3461% (0.61  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.95 +/- 1.01   0.000% *  0.1423% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.973, support = 5.82, residual support = 197.0:
      O   HN    LEU  123 - HB2   LEU  123   2.41 +/- 0.46  87.254% * 89.1474% (0.98  10.0   5.85 200.30) =  98.263%  kept
          HN    ALA  124 - HB2   LEU  123   4.00 +/- 0.40  12.746% * 10.7901% (0.57   1.0   4.19  12.26) =   1.737%  kept
          HE21  GLN   17 - HB2   LEU  123  21.20 +/- 1.64   0.000% *  0.0625% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.565, support = 5.23, residual support = 25.0:
        T HA    ALA  120 - QD1   LEU  123   2.38 +/- 0.48  95.818% * 94.1021% (0.57 10.00   5.24  25.03) =  99.795%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.37 +/- 0.49   4.115% *  4.4971% (0.20  1.00   2.73   2.29) =   0.205%
          HA    LYS+  65 - QD1   LEU  123   9.19 +/- 1.01   0.050% *  0.1572% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  11.92 +/- 1.34   0.013% *  0.1491% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.88 +/- 1.13   0.000% *  0.5130% (0.31 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.94 +/- 1.13   0.002% *  0.0414% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  19.22 +/- 1.28   0.000% *  0.1270% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  22.26 +/- 1.24   0.000% *  0.1491% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.33 +/- 1.52   0.000% *  0.0941% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  22.55 +/- 1.45   0.000% *  0.0874% (0.53  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.85 +/- 0.99   0.000% *  0.0567% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.39 +/- 1.23   0.000% *  0.0256% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.81, residual support = 9.24:
      O   HN    ALA  124 - QB    ALA  124   2.16 +/- 0.27  99.297% * 99.6759% (0.57  10.0   1.81   9.24) =  99.999%  kept
          HN    LEU  123 - QB    ALA  124   5.69 +/- 0.34   0.703% *  0.1906% (0.98   1.0   0.02  12.26) =   0.001%
          HE21  GLN   17 - QB    ALA  124  17.95 +/- 1.97   0.000% *  0.1336% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 1.81, residual support = 9.24:
      O   HN    ALA  124 - HA    ALA  124   2.73 +/- 0.19  98.455% * 99.7395% (0.98  10.0   1.81   9.24) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.64 +/- 0.26   1.494% *  0.0900% (0.80   1.0   0.02  12.26) =   0.001%
          HN    ALA  120 - HA    ALA  124  10.02 +/- 0.23   0.044% *  0.0197% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.03 +/- 2.76   0.005% *  0.0130% (0.12   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  21.89 +/- 1.75   0.000% *  0.1124% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  20.41 +/- 1.99   0.001% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.48 +/- 1.30   0.001% *  0.0104% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  21.62 +/- 0.96   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 4.44, residual support = 47.5:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.01  77.908% * 55.0021% (0.98  10.0   4.10  12.26) =  81.278%  kept
      O   HN    LEU  123 - HA    LEU  123   2.83 +/- 0.04  21.968% * 44.9320% (0.80  10.0   5.95 200.30) =  18.722%  kept
          HN    ALA  120 - HA    LEU  123   6.72 +/- 0.20   0.124% *  0.0098% (0.18   1.0   0.02  25.03) =   0.000%
          HE21  GLN   17 - HA    LEU  123  19.18 +/- 1.60   0.000% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  14.79 +/- 1.88 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.20 A violated in 20 structures by 11.59 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.96, residual support = 22.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.28 +/- 0.11  99.999% * 99.7350% (0.69  10.0   5.96  22.39) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  20.16 +/- 1.59   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  20.95 +/- 2.32   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  19.92 +/- 1.66   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.70 +/- 0.92   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.4:
      O   HN    PHE   95 - HA    THR   94   2.18 +/- 0.06 100.000% *100.0000% (0.73  10.0   3.16  14.44) = 100.000%  kept
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.07, residual support = 80.5:
      O   HN    LEU   80 - HB2   LEU   80   2.63 +/- 0.54  99.984% * 99.7811% (1.00  10.0   6.07  80.53) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  16.56 +/- 0.74   0.004% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  14.38 +/- 0.92   0.010% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  16.76 +/- 1.45   0.002% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.37, residual support = 80.5:
      O   HN    LEU   80 - HB3   LEU   80   3.31 +/- 0.28  99.969% * 99.7811% (1.00  10.0   6.37  80.53) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  16.64 +/- 0.88   0.007% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  16.86 +/- 1.13   0.006% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  14.41 +/- 0.90   0.018% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.88, residual support = 80.5:
      O   HA    LEU   80 - HB3   LEU   80   2.69 +/- 0.20  97.478% * 99.6901% (0.98  10.0   4.88  80.53) =  99.998%  kept
          HA    THR   23 - HB3   LEU   80   5.45 +/- 0.49   1.629% *  0.0912% (0.90   1.0   0.02   5.86) =   0.002%
          HB    THR   23 - HB3   LEU   80   6.85 +/- 1.15   0.717% *  0.0912% (0.90   1.0   0.02   5.86) =   0.001%
          HA    ASP-  78 - HB3   LEU   80   8.14 +/- 0.61   0.175% *  0.0617% (0.61   1.0   0.02   2.44) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  19.99 +/- 1.55   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3363 (1.34, 1.34, 40.36 ppm):
    1 diagonal assignment:
    *     HB3   LEU   80 - HB3   LEU   80  (1.00)  kept
 
    Peak 3364 (0.58, 1.34, 40.36 ppm):
    9 chemical-shift based assignments, quality = 0.526, support = 3.96, residual support = 80.5:
      O   QD2   LEU   80 - HB3   LEU   80   2.47 +/- 0.23  69.632% * 77.3053% (0.57  10.0  1.00   3.84  80.53) =  90.574%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.90 +/- 0.36  30.311% * 18.4793% (0.14  10.0  1.00   5.12  80.53) =   9.425%  kept
        T QD1   LEU   73 - HB3   LEU   80   8.92 +/- 1.05   0.034% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   80  14.81 +/- 1.22   0.002% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  16.32 +/- 1.40   0.001% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  17.90 +/- 1.81   0.001% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  11.29 +/- 1.07   0.008% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  10.78 +/- 1.24   0.011% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  18.87 +/- 1.96   0.000% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.631, support = 4.51, residual support = 76.9:
      O   HA    LEU   80 - HG    LEU   80   3.39 +/- 0.47  49.225% * 93.7041% (0.63  10.0   4.67  80.53) =  95.142%  kept
          HA    THR   23 - HG    LEU   80   3.57 +/- 0.92  42.573% *  5.5168% (0.58   1.0   1.29   5.86) =   4.844%  kept
          HB    THR   23 - HG    LEU   80   5.15 +/- 1.33   7.544% *  0.0857% (0.58   1.0   0.02   5.86) =   0.013%
          HA    ASP-  78 - HG    LEU   80   8.62 +/- 0.92   0.297% *  0.0580% (0.39   1.0   0.02   2.44) =   0.000%
          HA    THR   23 - HG    LEU   73  10.13 +/- 1.39   0.151% *  0.0340% (0.23   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   40  10.53 +/- 0.64   0.076% *  0.0465% (0.31   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  11.81 +/- 1.33   0.053% *  0.0340% (0.23   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.25 +/- 1.16   0.021% *  0.0372% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  12.75 +/- 0.42   0.023% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  14.00 +/- 0.70   0.013% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.77 +/- 1.33   0.006% *  0.0245% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  19.39 +/- 1.66   0.002% *  0.0645% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.25 +/- 1.05   0.004% *  0.0319% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  20.76 +/- 1.81   0.002% *  0.0618% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.44 +/- 0.45   0.003% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  21.20 +/- 1.59   0.001% *  0.0645% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.47 +/- 1.42   0.001% *  0.0705% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.55 +/- 1.94   0.002% *  0.0210% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.18 +/- 0.59   0.001% *  0.0197% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  25.03 +/- 1.01   0.000% *  0.0436% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.186, support = 5.5, residual support = 160.2:
          HN    LEU   73 - HG    LEU   73   3.18 +/- 0.78  53.514% * 43.3895% (0.20   5.68 170.94) =  83.382%  kept
          HN    ILE   19 - HG12  ILE   19   3.46 +/- 0.65  33.444% *  8.3642% (0.03   6.33 175.42) =  10.045%  kept
          HN    VAL   42 - HG    LEU   73   4.72 +/- 1.40   8.375% * 11.1808% (0.20   1.46   1.36) =   3.363%  kept
          HN    VAL   42 - HG    LEU   40   5.33 +/- 1.04   2.582% * 34.5299% (0.37   2.38   1.30) =   3.202%  kept
          HN    LEU   73 - HG12  ILE   19   6.84 +/- 1.58   0.939% *  0.1310% (0.17   0.02   4.00) =   0.004%
          HN    VAL   42 - HG12  ILE   19   8.67 +/- 1.89   0.206% *  0.1310% (0.17   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   73   6.11 +/- 0.70   0.815% *  0.0308% (0.04   0.02   4.00) =   0.001%
          HN    LEU   73 - HG    LEU   40   9.08 +/- 1.23   0.071% *  0.2896% (0.37   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  11.32 +/- 1.24   0.017% *  0.3849% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.73 +/- 0.52   0.011% *  0.3165% (0.41   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.22 +/- 1.27   0.004% *  0.3849% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.07 +/- 1.27   0.012% *  0.0585% (0.08   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.92 +/- 1.10   0.007% *  0.0777% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.73 +/- 1.28   0.002% *  0.1669% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.81 +/- 1.80   0.001% *  0.4206% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.44 +/- 1.83   0.000% *  0.1432% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3371 (1.72, 1.72, 37.34 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  99 - HB3   LYS+  99  (1.00)  kept
 
    Peak 3372 (4.39, 1.72, 37.34 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.86, residual support = 172.8:
      O T HA    LYS+  99 - HB3   LYS+  99   2.60 +/- 0.28  94.368% * 97.7927% (0.76  10.0 10.00   5.86 172.83) =  99.995%  kept
          HA    LEU   40 - HB3   LYS+  99   4.34 +/- 0.68   5.592% *  0.0828% (0.65   1.0  1.00   0.02  13.07) =   0.005%
          HA    ASN   35 - HB3   LYS+  99  10.66 +/- 0.53   0.027% *  0.1148% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  13.13 +/- 1.57   0.009% *  0.1254% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  20.78 +/- 1.32   0.000% *  1.1812% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  20.62 +/- 0.80   0.000% *  0.5261% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  16.42 +/- 1.52   0.002% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  20.77 +/- 1.10   0.000% *  0.0623% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  21.38 +/- 1.57   0.000% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.8, residual support = 172.8:
      O   HN    LYS+  99 - HB3   LYS+  99   3.09 +/- 0.27  92.335% * 99.4797% (0.31  10.0   3.80 172.83) =  99.993%  kept
          HE1   HIS  122 - HB3   LYS+  99   7.76 +/- 3.54   7.631% *  0.0804% (0.25   1.0   0.02   0.02) =   0.007%
          HN    ASN   35 - HB3   LYS+  99  11.98 +/- 0.49   0.032% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  20.05 +/- 1.54   0.002% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  24.61 +/- 1.76   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.48, residual support = 17.0:
        T QD1   LEU  104 - HB3   LYS+  99   2.59 +/- 1.01  99.852% * 96.9359% (0.41 10.00   1.48  16.99) =  99.999%  kept
        T QG2   ILE   89 - HB3   LYS+  99  16.38 +/- 0.63   0.017% *  2.6548% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  15.02 +/- 1.16   0.026% *  0.2757% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  14.66 +/- 1.20   0.084% *  0.0629% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  16.68 +/- 2.12   0.021% *  0.0708% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 2.03, residual support = 13.1:
        T QD2   LEU   40 - HB3   LYS+  99   3.03 +/- 0.97  95.892% * 99.6071% (0.76 10.00   2.03  13.07) =  99.996%  kept
          QG2   ILE  103 - HB3   LYS+  99   6.81 +/- 0.40   2.662% *  0.0791% (0.61  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB3   LYS+  99   8.31 +/- 1.91   1.368% *  0.0946% (0.73  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LYS+  99  12.73 +/- 1.61   0.065% *  0.0325% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  16.68 +/- 0.91   0.009% *  0.1233% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  18.95 +/- 1.15   0.004% *  0.0634% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 2 structures by 0.14 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.52, residual support = 172.8:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.63 +/- 0.19  99.939% * 99.4593% (0.97  10.0   5.52 172.83) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.37 +/- 0.64   0.028% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  13.36 +/- 0.56   0.006% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  13.11 +/- 0.97   0.008% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  12.79 +/- 1.49   0.011% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  17.70 +/- 1.20   0.001% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.24 +/- 0.87   0.003% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.85 +/- 0.75   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.44 +/- 1.71   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.61 +/- 1.49   0.001% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 172.8:
      O T HB2   LYS+  99 - HA    LYS+  99   2.84 +/- 0.28  99.942% * 99.7492% (0.99  10.0 10.00   7.00 172.83) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.31 +/- 0.57   0.055% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  17.49 +/- 1.25   0.002% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  23.78 +/- 0.91   0.000% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.556, support = 5.18, residual support = 181.9:
      O T QD    LYS+  99 - HG3   LYS+  99   2.30 +/- 0.14  58.183% * 20.0954% (0.34  10.0 10.00   5.27 172.83) =  45.682%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.95 +/- 0.21  14.495% * 58.3907% (0.99  10.0  1.00   5.05 172.83) =  33.070%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.62 +/- 0.15  27.251% * 19.9563% (0.34  10.0 10.00   5.18 215.70) =  21.248%  kept
        T QD    LYS+ 106 - HG12  ILE   89   9.61 +/- 1.48   0.019% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   8.70 +/- 1.22   0.031% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.92 +/- 0.78   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.73 +/- 0.92   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  10.13 +/- 1.35   0.012% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  13.10 +/- 1.28   0.002% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  22.11 +/- 1.02   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  18.63 +/- 1.03   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  14.93 +/- 1.35   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  12.94 +/- 1.12   0.002% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.35 +/- 1.08   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.78 +/- 1.48   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.38 +/- 1.23   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  16.66 +/- 1.18   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  26.02 +/- 1.66   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 172.8:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.50 +/- 0.20  99.826% * 97.9462% (0.99  10.0 10.00   6.44 172.83) = 100.000%  kept
        T HB    VAL   43 - HG12  ILE   89   8.66 +/- 0.83   0.079% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.03 +/- 0.69   0.006% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38  10.00 +/- 1.29   0.046% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89   9.97 +/- 1.40   0.038% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.43 +/- 1.02   0.001% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  19.23 +/- 1.97   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.08 +/- 1.50   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.23 +/- 0.89   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  22.93 +/- 1.04   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  20.79 +/- 1.54   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.25 +/- 1.29   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 115.2:
    * O   HA    GLN  116 - HG3   GLN  116   3.37 +/- 0.53  99.989% * 99.5202% (1.00  10.0   5.22 115.15) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  20.32 +/- 1.63   0.003% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  19.23 +/- 1.68   0.003% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  19.77 +/- 1.71   0.003% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  23.65 +/- 1.73   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  27.72 +/- 1.71   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  30.89 +/- 1.65   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  32.10 +/- 1.72   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.22 +/- 1.42   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.76, residual support = 115.2:
      O   HB2   GLN  116 - HG3   GLN  116   2.45 +/- 0.26  99.937% * 99.6757% (0.98  10.0   5.76 115.15) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   9.77 +/- 1.41   0.060% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  15.47 +/- 1.26   0.003% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  25.16 +/- 1.19   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  26.39 +/- 1.78   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  29.50 +/- 1.32   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.79, residual support = 101.6:
          QD2   LEU  115 - HG3   GLN  116   3.53 +/- 0.47  96.260% * 98.7660% (0.97   6.79 101.62) =  99.996%  kept
          QD1   LEU   63 - HG3   GLN  116   8.86 +/- 1.33   1.516% *  0.2070% (0.69   0.02   0.02) =   0.003%
          QD2   LEU   63 - HG3   GLN  116   8.85 +/- 1.59   2.193% *  0.0465% (0.15   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG3   GLN  116  15.03 +/- 1.07   0.022% *  0.2954% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  19.74 +/- 1.43   0.005% *  0.2070% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.60 +/- 2.36   0.002% *  0.2954% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  22.10 +/- 1.05   0.002% *  0.1828% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.49, residual support = 115.2:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   5.49 115.15) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.61 +/- 1.38   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  34.17 +/- 1.64   0.000% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 4.08, residual support = 115.2:
      O   HE21  GLN  116 - HG3   GLN  116   3.11 +/- 0.45  97.526% * 99.6819% (0.69  10.0   4.08 115.15) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   6.32 +/- 0.61   2.401% *  0.0448% (0.31   1.0   0.02   0.24) =   0.001%
          HN    ALA   57 - HG3   GLN  116  11.63 +/- 1.45   0.072% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  25.96 +/- 2.47   0.000% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  30.54 +/- 1.83   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.688, support = 7.33, residual support = 114.4:
          HN    GLN  116 - HG3   GLN  116   3.90 +/- 0.20  93.446% * 82.8401% (0.69   7.37 115.15) =  99.324%  kept
          HN    THR  118 - HG3   GLN  116   7.02 +/- 0.49   3.152% * 16.5921% (0.92   1.10   0.02) =   0.671%  kept
          HN    GLU- 114 - HG3   GLN  116   7.14 +/- 0.80   2.919% *  0.0816% (0.25   0.02   0.30) =   0.003%
          HN    PHE   60 - HG3   GLN  116  10.73 +/- 1.44   0.481% *  0.3270% (1.00   0.02   0.02) =   0.002%
          HN    GLU-  15 - HG3   GLN  116  25.12 +/- 1.75   0.002% *  0.1592% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.59, residual support = 177.0:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.700% * 88.2996% (1.00  10.0 10.00   6.60 172.83) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.700% *  8.9120% (0.10  10.0 10.00   6.44 217.82) =   9.168%  kept
          QB    ALA   88 - HG12  ILE   89   4.49 +/- 0.49   0.217% *  0.0247% (0.28   1.0  1.00   0.02   7.92) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.54 +/- 0.82   0.005% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   4.44 +/- 0.66   0.270% *  0.0063% (0.07   1.0  1.00   0.02  11.94) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.31 +/- 0.58   0.081% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.96 +/- 1.14   0.009% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.73 +/- 1.46   0.006% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.88 +/- 0.71   0.004% *  0.0221% (0.25   1.0  1.00   0.02  17.10) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  15.71 +/- 1.42   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.38 +/- 1.31   0.003% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.58 +/- 0.65   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  11.00 +/- 0.67   0.001% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.00 +/- 1.55   0.000% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  14.91 +/- 1.32   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.82 +/- 1.65   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  12.03 +/- 1.31   0.001% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.16 +/- 1.00   0.001% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  16.15 +/- 0.96   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.24 +/- 0.94   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.25 +/- 2.06   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.43 +/- 1.11   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.40 +/- 0.82   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.11 +/- 1.26   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  20.40 +/- 1.00   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.54 +/- 0.69   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  20.15 +/- 0.77   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  24.41 +/- 0.92   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  17.57 +/- 2.34   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.67 +/- 0.96   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.44 +/- 1.32   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  24.00 +/- 1.59   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  23.05 +/- 1.73   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.75 +/- 0.97   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.88 +/- 1.22   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.62 +/- 1.19   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  22.75 +/- 1.17   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.07 +/- 2.39   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.44 +/- 1.51   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2700
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    112
      with multiple assignment possibilities :   2119
      with given assignment possibilities    :      0
      with unique volume contribution        :   1746
      with multiple volume contributions     :    485
      eliminated by violation filter         :    102
 
    Peaks:
      selected                               :   2700
      without assignment                     :    129
      with assignment                        :   2571
      with unique assignment                 :   2022
      with multiple assignment               :    549
      with reference assignment              :   1605
      with identical reference assignment    :   1271
      with compatible reference assignment   :    326
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    966
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QB    LYS+  33       2.8
    QD2   LEU   40       4.0
    HB    VAL   41       2.7
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       3.6
    HN    LYS+  65       6.0
    HZ    PHE   72       3.0
    HA    LEU   73       3.0
    HA    THR  118       5.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 71.9:
        T HA    PHE   60 - QD    PHE   60   2.69 +/- 0.36  99.846% * 98.3426% (0.87 10.00   3.94  71.94) = 100.000%  kept
        T QB    SER  117 - QD    PHE   60  12.56 +/- 0.75   0.013% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  11.92 +/- 0.84   0.017% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.28 +/- 1.18   0.092% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  12.00 +/- 1.09   0.017% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.86 +/- 0.90   0.005% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.04 +/- 0.85   0.010% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.0, residual support = 70.3:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.705% * 99.2427% (0.69  10.0   1.00  70.32) =  99.999%  kept
          HN    TRP   87 - HZ3   TRP   87   6.60 +/- 0.10   0.290% *  0.1753% (0.61   1.0   0.02  70.32) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  13.83 +/- 0.42   0.003% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  21.00 +/- 1.34   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  20.84 +/- 1.75   0.000% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  19.45 +/- 0.67   0.000% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  20.38 +/- 1.75 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.52 A violated in 20 structures by 15.86 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.16, residual support = 4.73:
          QB    ALA   20 - HE1   HIS   22   4.38 +/- 0.16  99.959% * 93.6852% (0.76   1.16   4.73) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  21.21 +/- 1.63   0.009% *  1.9930% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  17.91 +/- 0.71   0.023% *  0.5253% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  24.48 +/- 1.93   0.004% *  1.1085% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  24.12 +/- 2.08   0.004% *  0.5858% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  30.83 +/- 1.79   0.001% *  2.1022% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.63 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.298, support = 4.89, residual support = 44.6:
          HN    ASN   28 - HD1   TRP   27   3.66 +/- 0.58  95.854% * 34.4950% (0.25   5.07  47.74) =  93.494%  kept
          HN    GLU-  25 - HD1   TRP   27   6.99 +/- 0.67   3.541% * 64.8856% (0.99   2.40   0.16) =   6.497%  kept
          HN    ASP-  44 - HD1   TRP   27   9.40 +/- 0.92   0.600% *  0.5351% (0.98   0.02   0.02) =   0.009%
          HN    ALA  110 - HD1   TRP   27  21.02 +/- 0.98   0.004% *  0.0842% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.37, residual support = 107.5:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.37 107.49) = 100.000%  kept
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (6.35, 7.32, 120.14 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 1.57, residual support = 107.5:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.9802% (0.89  10.0   1.57 107.49) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  16.19 +/- 1.51   0.002% *  0.0198% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 4.24, residual support = 107.5:
          HA    TRP   27 - HE3   TRP   27   3.70 +/- 1.38  99.766% * 98.5678% (0.96   4.24 107.49) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  17.38 +/- 0.94   0.036% *  0.4773% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  17.33 +/- 0.49   0.032% *  0.4445% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  16.20 +/- 0.82   0.055% *  0.0692% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  16.96 +/- 0.72   0.040% *  0.0723% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  21.52 +/- 0.78   0.009% *  0.1807% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  19.20 +/- 1.60   0.020% *  0.0743% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.07 +/- 2.01   0.031% *  0.0116% (0.02   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  24.31 +/- 0.94   0.004% *  0.0743% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.74 +/- 0.64   0.008% *  0.0281% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 6 structures by 0.56 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 107.5:
      O   HB3   TRP   27 - HE3   TRP   27   2.89 +/- 0.31  99.873% * 98.0783% (0.17  10.0   4.50 107.49) = 100.000%  kept
          QE    LYS+  99 - HN    LEU   67  10.37 +/- 1.24   0.070% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  15.50 +/- 1.85   0.006% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  15.19 +/- 0.84   0.006% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  17.67 +/- 1.19   0.003% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.63 +/- 0.50   0.011% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.18 +/- 0.97   0.024% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  17.48 +/- 1.65   0.003% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.05 +/- 0.93   0.001% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  17.56 +/- 1.12   0.003% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (0.76, 7.32, 120.14 ppm):
    16 chemical-shift based assignments, quality = 0.875, support = 1.48, residual support = 10.8:
          QG1   VAL   43 - HE3   TRP   27   4.67 +/- 0.62  46.172% * 71.6142% (0.99   1.50   9.58) =  83.473%  kept
          QD2   LEU   73 - HE3   TRP   27   5.20 +/- 1.07  30.091% * 19.5846% (0.28   1.48  18.09) =  14.877%  kept
          HG    LEU   31 - HE3   TRP   27   6.09 +/- 1.19  13.174% *  4.6526% (0.41   0.24  10.34) =   1.547%  kept
          QG1   VAL   41 - HE3   TRP   27   7.94 +/- 1.14   1.816% *  0.9033% (0.94   0.02   0.02) =   0.041%
          QG2   THR   46 - HE3   TRP   27   9.19 +/- 0.62   0.787% *  0.7976% (0.83   0.02   0.02) =   0.016%
          QG2   VAL   18 - HN    LEU   67   7.20 +/- 1.16   4.383% *  0.1372% (0.14   0.02   0.02) =   0.015%
          QD1   ILE   19 - HE3   TRP   27   8.82 +/- 1.49   1.145% *  0.4648% (0.48   0.02   0.02) =   0.013%
          QG2   VAL   18 - HE3   TRP   27  10.09 +/- 1.29   0.549% *  0.8814% (0.91   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    LEU   67   9.89 +/- 1.40   0.763% *  0.0723% (0.08   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   67  11.11 +/- 0.58   0.208% *  0.1405% (0.15   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    LEU   67  11.56 +/- 0.46   0.174% *  0.1486% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE3   TRP   27  13.77 +/- 1.20   0.063% *  0.3257% (0.34   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    LEU   67   9.81 +/- 0.42   0.474% *  0.0413% (0.04   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  13.77 +/- 1.24   0.068% *  0.1241% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  12.94 +/- 1.47   0.119% *  0.0507% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  17.60 +/- 0.94   0.014% *  0.0611% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 54 (0.60, 7.32, 120.14 ppm):
    14 chemical-shift based assignments, quality = 0.568, support = 4.49, residual support = 13.2:
          QD1   LEU   73 - HE3   TRP   27   3.46 +/- 0.88  46.817% * 41.2730% (0.37   5.97  18.09) =  50.734%  kept
          QD2   LEU   80 - HE3   TRP   27   4.35 +/- 2.30  37.645% * 44.9972% (0.76   3.20   8.61) =  44.476%  kept
          QG1   VAL   83 - HE3   TRP   27   4.57 +/- 1.37  14.446% * 12.6237% (0.89   0.76   3.79) =   4.788%  kept
          QD1   LEU   63 - HN    LEU   67   6.68 +/- 0.32   0.774% *  0.0215% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27   9.32 +/- 0.95   0.153% *  0.1024% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  11.85 +/- 0.58   0.025% *  0.1382% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.98 +/- 1.41   0.010% *  0.3483% (0.94   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.14 +/- 1.45   0.053% *  0.0542% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.80 +/- 1.13   0.040% *  0.0416% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  17.12 +/- 1.56   0.003% *  0.2674% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  11.74 +/- 0.61   0.028% *  0.0215% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  17.81 +/- 1.11   0.002% *  0.0514% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  17.53 +/- 1.83   0.002% *  0.0438% (0.12   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  17.10 +/- 0.83   0.002% *  0.0159% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 0.75, residual support = 1.9:
          QG2   VAL   75 - HE3   TRP   27   3.22 +/- 0.66  97.421% * 97.2597% (0.72   0.75   1.90) =  99.987%  kept
          QG2   VAL   42 - HN    LEU   67   6.50 +/- 0.40   2.319% *  0.3146% (0.09   0.02   0.02) =   0.008%
          QG2   VAL   42 - HE3   TRP   27   9.83 +/- 0.56   0.234% *  2.0221% (0.56   0.02   0.02) =   0.005%
          QG2   VAL   75 - HN    LEU   67  13.81 +/- 0.72   0.026% *  0.4036% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.43, residual support = 34.4:
      O T HB2   HIS   22 - HD2   HIS   22   3.38 +/- 0.57  99.997% * 99.9216% (0.92  10.0 10.00   2.43  34.38) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  20.80 +/- 0.77   0.003% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  27.93 +/- 1.51   0.001% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 34.4:
      O T HB3   HIS   22 - HD2   HIS   22   3.39 +/- 0.51  99.999% * 99.8217% (0.45  10.0 10.00   3.04  34.38) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  24.77 +/- 2.36   0.001% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.852, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  10.79 +/- 1.24  62.121% * 29.7119% (0.92   0.02   0.02) =  81.843%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.15 +/- 1.36   8.923% * 19.5221% (0.61   0.02   0.02) =   7.724%  kept
          HB2   PHE   72 - HD2   HIS   22  12.76 +/- 0.61  24.397% *  4.9662% (0.15   0.02   0.02) =   5.372%  kept
          QB    CYS   50 - HD2   HIS   22  17.99 +/- 1.93   3.093% * 28.8658% (0.90   0.02   0.02) =   3.959%  kept
          HB3   ASN   69 - HD2   HIS   22  20.62 +/- 1.26   1.466% * 16.9340% (0.53   0.02   0.02) =   1.101%  kept
    Distance limit 4.55 A violated in 20 structures by 5.35 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.03, residual support = 4.73:
        T QB    ALA   20 - HD2   HIS   22   4.80 +/- 0.14  99.919% * 98.9678% (0.28 10.00   2.03   4.73) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  20.42 +/- 0.80   0.018% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  21.75 +/- 2.09   0.014% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  17.40 +/- 0.56   0.046% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  28.95 +/- 1.14   0.002% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  29.74 +/- 2.04   0.002% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.60 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  19.15 +/- 1.58 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.51 A violated in 20 structures by 14.64 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.79, residual support = 5.14:
          HA    CYS   21 - HD2   HIS   22   3.86 +/- 0.25  99.978% * 97.0343% (0.95   2.79   5.14) = 100.000%  kept
          HA    CYS   50 - HD2   HIS   22  20.90 +/- 1.92   0.005% *  0.6955% (0.95   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  22.62 +/- 2.21   0.003% *  0.7352% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  18.78 +/- 1.41   0.009% *  0.2044% (0.28   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.05 +/- 1.88   0.003% *  0.4756% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  28.12 +/- 1.01   0.001% *  0.7095% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  24.30 +/- 0.85   0.002% *  0.1455% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 47.7:
          HA    ASN   28 - HD1   TRP   27   3.49 +/- 1.10  97.084% * 96.9016% (1.00   3.23  47.74) =  99.994%  kept
          HA    THR   26 - HD1   TRP   27   7.20 +/- 0.60   2.067% *  0.1673% (0.28   0.02  22.52) =   0.004%
          HA    ALA   34 - HD1   TRP   27  11.27 +/- 2.24   0.141% *  0.5555% (0.92   0.02   0.02) =   0.001%
          HA    LYS+  81 - HD1   TRP   27  12.32 +/- 2.44   0.546% *  0.1191% (0.20   0.02   0.02) =   0.001%
          HA1   GLY  101 - HD1   TRP   27  12.02 +/- 2.38   0.127% *  0.4598% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  20.85 +/- 1.01   0.006% *  0.5964% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  15.33 +/- 1.89   0.021% *  0.0814% (0.14   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  22.73 +/- 1.15   0.004% *  0.4133% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.31 +/- 1.31   0.002% *  0.3650% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  26.63 +/- 2.21   0.001% *  0.3407% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.20 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.83, residual support = 24.9:
          HA    VAL   24 - HD1   TRP   27   4.18 +/- 0.84  99.684% * 99.4939% (1.00   4.83  24.86) =  99.999%  kept
          HA    LYS+  38 - HD1   TRP   27  14.23 +/- 2.15   0.238% *  0.2836% (0.69   0.02   0.02) =   0.001%
          HA    ALA   61 - HD1   TRP   27  17.13 +/- 1.73   0.054% *  0.0817% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  20.13 +/- 2.53   0.025% *  0.1408% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 4 structures by 0.51 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 107.5:
      O T HB2   TRP   27 - HD1   TRP   27   3.16 +/- 0.48  99.958% * 99.7544% (0.65  10.0 10.00   3.66 107.49) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  11.92 +/- 2.28   0.041% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  20.12 +/- 1.66   0.002% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.04 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 107.5:
      O T HB3   TRP   27 - HD1   TRP   27   3.63 +/- 0.17  99.938% * 99.6316% (0.73  10.0 10.00   4.09 107.49) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  15.60 +/- 1.58   0.023% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  14.78 +/- 1.04   0.025% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  16.23 +/- 1.42   0.014% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.755, support = 2.97, residual support = 24.9:
        T QG2   VAL   24 - HD1   TRP   27   3.92 +/- 1.42  71.222% * 94.0788% (0.76 10.00   2.97  24.86) =  97.903%  kept
          QG1   VAL   24 - HD1   TRP   27   5.03 +/- 1.13  28.733% *  4.9953% (0.31  1.00   2.63  24.86) =   2.097%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.16 +/- 0.53   0.026% *  0.7964% (0.65 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  18.12 +/- 1.37   0.018% *  0.0747% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  26.99 +/- 1.17   0.001% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  27.25 +/- 1.23   0.001% *  0.0274% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.20 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.651, support = 3.02, residual support = 11.4:
          QD1   LEU   73 - HD1   TRP   27   4.30 +/- 1.97  54.233% * 28.3152% (0.49   3.51  18.09) =  49.726%  kept
          QG1   VAL   83 - HD1   TRP   27   4.61 +/- 2.08  37.937% * 33.2046% (0.80   2.51   3.79) =  40.790%  kept
          QD2   LEU   80 - HD1   TRP   27   5.59 +/- 1.65   7.779% * 37.6491% (0.87   2.62   8.61) =   9.483%  kept
          QD1   LEU  104 - HD1   TRP   27  14.16 +/- 1.64   0.011% *  0.3281% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   89 - HD1   TRP   27  11.09 +/- 1.55   0.030% *  0.0655% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  13.82 +/- 0.95   0.009% *  0.1611% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  19.11 +/- 1.54   0.001% *  0.2765% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.855, support = 1.4, residual support = 7.27:
          QD2   LEU   31 - HD1   TRP   27   3.81 +/- 1.79  61.208% * 41.3539% (0.73   1.39  10.34) =  53.086%  kept
          QG2   VAL   83 - HD1   TRP   27   5.78 +/- 2.42  38.625% * 57.9093% (1.00   1.41   3.79) =  46.911%  kept
          QD1   ILE   89 - HD1   TRP   27  10.07 +/- 1.28   0.167% *  0.7368% (0.90   0.02   0.02) =   0.003%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.18, residual support = 107.5:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.993% * 99.7536% (0.28  10.0 10.00   1.18 107.49) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  12.86 +/- 1.04   0.007% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.93, residual support = 107.5:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.93 107.49) = 100.000%  kept
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.57, residual support = 107.5:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.886% * 99.6562% (1.00  10.0   1.57 107.49) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   8.69 +/- 0.80   0.065% *  0.0771% (0.61   1.0   0.02   0.93) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  10.61 +/- 0.97   0.020% *  0.0822% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  11.14 +/- 2.51   0.027% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.22 +/- 1.02   0.001% *  0.1246% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  16.19 +/- 1.51   0.002% *  0.0317% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.42, residual support = 9.58:
        T QG1   VAL   43 - HH2   TRP   27   2.47 +/- 0.49  98.034% * 99.3665% (0.92 10.00   1.42   9.58) =  99.998%  kept
          HG    LEU   31 - HH2   TRP   27   6.20 +/- 1.46   0.772% *  0.0984% (0.65  1.00   0.02  10.34) =   0.001%
          QD2   LEU   73 - HH2   TRP   27   6.41 +/- 1.28   0.856% *  0.0740% (0.49  1.00   0.02  18.09) =   0.001%
          QG1   VAL   41 - HH2   TRP   27   6.94 +/- 1.40   0.238% *  0.1517% (1.00  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HH2   TRP   27  10.04 +/- 0.62   0.043% *  0.0922% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.28 +/- 1.34   0.022% *  0.1104% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27  10.92 +/- 1.57   0.015% *  0.0423% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  10.86 +/- 1.31   0.018% *  0.0266% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  15.43 +/- 0.98   0.003% *  0.0379% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.918, support = 2.94, residual support = 9.62:
        T QG1   VAL   43 - HZ3   TRP   27   3.55 +/- 0.58  78.113% * 91.9704% (0.92 10.00   2.96   9.58) =  99.022%  kept
          QD2   LEU   73 - HZ3   TRP   27   5.53 +/- 1.79  15.240% *  3.6407% (0.49  1.00   1.50  18.09) =   0.765%  kept
          HG    LEU   31 - HZ3   TRP   27   6.60 +/- 1.67   3.732% *  4.0867% (0.65  1.00   1.27  10.34) =   0.210%
          QG1   VAL   41 - HZ3   TRP   27   7.48 +/- 1.92   1.763% *  0.0994% (1.00  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HZ3   TRP   27   9.00 +/- 0.87   0.564% *  0.0604% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HZ3   TRP   27  10.18 +/- 1.53   0.228% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HZ3   TRP   27   9.71 +/- 2.03   0.291% *  0.0277% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  12.43 +/- 1.51   0.053% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  15.51 +/- 0.91   0.017% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.881, support = 2.29, residual support = 17.7:
        T QD1   LEU   73 - HZ3   TRP   27   3.87 +/- 1.69  42.871% * 93.8424% (0.90 10.00   2.33  18.09) =  96.333%  kept
          QD2   LEU   80 - HZ3   TRP   27   5.36 +/- 2.60  35.894% *  3.8543% (0.53  1.00   1.40   8.61) =   3.313%  kept
          QD1   LEU   80 - HZ3   TRP   27   6.25 +/- 2.41  17.216% *  0.8501% (0.15  1.00   1.05   8.61) =   0.350%
          QG2   VAL   41 - HZ3   TRP   27   5.72 +/- 1.89   2.479% *  0.0291% (0.28  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - HZ3   TRP   27  10.70 +/- 0.80   0.050% *  0.9384% (0.90 10.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HZ3   TRP   27   5.85 +/- 0.77   1.439% *  0.0161% (0.15  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HZ3   TRP   27  12.70 +/- 1.84   0.013% *  0.3230% (0.31 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  11.79 +/- 1.03   0.034% *  0.0874% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  15.86 +/- 1.63   0.004% *  0.0592% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.784, support = 1.5, residual support = 9.78:
        T QD2   LEU   31 - HZ3   TRP   27   4.91 +/- 2.01  40.022% * 93.9477% (0.76 10.00   1.57  10.34) =  91.441%  kept
          QG2   VAL   83 - HZ3   TRP   27   4.23 +/- 2.23  59.477% *  5.9164% (1.00  1.00   0.76   3.79) =   8.558%  kept
          QD1   ILE   89 - HZ3   TRP   27   7.10 +/- 1.52   0.501% *  0.1359% (0.87  1.00   0.02   0.02) =   0.002%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.905, support = 1.7, residual support = 6.38:
          QG2   VAL   83 - HH2   TRP   27   4.63 +/- 1.65  55.004% * 53.1597% (1.00   1.62   3.79) =  60.337%  kept
          QD2   LEU   31 - HH2   TRP   27   4.76 +/- 1.68  41.500% * 46.2687% (0.76   1.84  10.34) =  39.622%  kept
          QD1   ILE   89 - HH2   TRP   27   6.47 +/- 1.13   3.496% *  0.5716% (0.87   0.02   0.02) =   0.041%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.832, support = 2.08, residual support = 14.9:
          QD1   LEU   73 - HH2   TRP   27   4.60 +/- 1.09  23.471% * 57.6053% (1.00   2.24  18.09) =  75.982%  kept
          QG1   VAL   83 - HH2   TRP   27   4.75 +/- 1.95  53.412% *  5.9758% (0.15   1.51   3.79) =  17.937%  kept
          QD2   LEU   80 - HH2   TRP   27   6.57 +/- 2.15   3.063% * 34.8416% (0.76   1.77   8.61) =   5.998%  kept
          QG2   VAL   41 - HH2   TRP   27   5.18 +/- 1.45  19.740% *  0.0696% (0.14   0.02   0.02) =   0.077%
          QD1   LEU  104 - HH2   TRP   27  11.34 +/- 1.78   0.188% *  0.2706% (0.53   0.02   0.02) =   0.003%
          QD1   LEU   63 - HH2   TRP   27  10.46 +/- 0.77   0.073% *  0.5132% (1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HH2   TRP   27  11.51 +/- 0.98   0.046% *  0.3120% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  15.52 +/- 1.64   0.007% *  0.4119% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.18, residual support = 107.5:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.18 107.49) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 1.01, residual support = 12.1:
          HZ2   TRP   87 - HZ2   TRP   27   2.71 +/- 1.06  94.633% * 24.7480% (0.98   0.75   6.14) =  85.713%  kept
          HD21  ASN   28 - HZ2   TRP   27   6.22 +/- 0.54   5.239% * 74.5037% (0.87   2.55  47.74) =  14.285%  kept
          QE    PHE   60 - HZ2   TRP   27  11.49 +/- 1.18   0.115% *  0.4625% (0.69   0.02   0.02) =   0.002%
          HN    LEU   63 - HZ2   TRP   27  16.45 +/- 0.76   0.011% *  0.1679% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  19.69 +/- 0.74   0.003% *  0.1179% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.65, residual support = 107.5:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.65 107.49) = 100.000%  kept
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 6.14:
          HE1   TRP   87 - HZ2   TRP   27   4.72 +/- 0.77 100.000% *100.0000% (0.92   2.00   6.14) = 100.000%  kept
    Distance limit 4.25 A violated in 6 structures by 0.59 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.813, support = 1.77, residual support = 9.73:
        T QG2   VAL   43 - HZ2   TRP   27   3.32 +/- 0.56  77.632% * 52.6820% (0.90 10.00   1.21   9.58) =  79.442%  kept
        T QD2   LEU   31 - HZ2   TRP   27   4.21 +/- 0.46  22.368% * 47.3180% (0.49 10.00   3.93  10.34) =  20.558%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.08, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.899, support = 2.81, residual support = 12.1:
        T QD1   ILE   89 - QD    PHE   45   2.59 +/- 0.40  83.169% * 89.2356% (0.90 10.00   2.83  12.38) =  97.645%  kept
          QG2   VAL   83 - QD    PHE   45   3.80 +/- 0.98  16.739% * 10.6921% (1.00  1.00   2.15   1.93) =   2.355%  kept
          QD2   LEU   31 - QD    PHE   45   8.77 +/- 0.56   0.092% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.972, support = 2.69, residual support = 7.42:
          QD1   ILE   89 - QE    PHE   45   2.75 +/- 0.36  42.023% * 60.2527% (0.97   3.23  12.38) =  52.601%  kept
          QG2   VAL   83 - QE    PHE   45   2.68 +/- 0.94  57.742% * 39.5131% (0.98   2.09   1.93) =  47.398%  kept
          QD2   LEU   31 - QE    PHE   45   7.43 +/- 0.64   0.235% *  0.2342% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.6:
        T QG1   VAL   75 - QD    PHE   45   2.29 +/- 0.40  99.975% * 99.9034% (1.00 10.00   2.96  17.55) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45   9.99 +/- 0.97   0.025% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.0, residual support = 17.6:
        T HB    VAL   75 - QD    PHE   45   3.49 +/- 0.59  97.813% * 99.7392% (0.99 10.00   2.00  17.55) =  99.999%  kept
          HG3   LYS+  74 - QD    PHE   45   8.40 +/- 0.41   0.790% *  0.0378% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    PHE   45   9.07 +/- 1.13   0.548% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45  10.10 +/- 0.79   0.299% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45   9.93 +/- 0.92   0.307% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  10.97 +/- 0.97   0.163% *  0.0610% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.20 +/- 0.51   0.081% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 1 structures by 0.07 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.626, support = 2.35, residual support = 8.91:
        T QG2   THR   77 - QD    PHE   45   3.13 +/- 0.52  83.488% * 76.1631% (0.65 10.00   2.25   8.41) =  95.360%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.43 +/- 0.05  13.271% * 23.2995% (0.20 10.00   4.41  19.20) =   4.637%  kept
          HB3   LEU   80 - QD    PHE   45   6.34 +/- 1.21   2.454% *  0.0442% (0.38  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QD    PHE   45   7.55 +/- 0.41   0.603% *  0.1136% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   LEU   63 - QD    PHE   45   9.82 +/- 0.72   0.137% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.87 +/- 0.67   0.022% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  13.83 +/- 1.05   0.016% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  15.92 +/- 0.65   0.006% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.72 +/- 0.52   0.002% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.729, support = 0.75, residual support = 24.9:
          QG2   THR   94 - QD    PHE   45   3.76 +/- 0.41  69.342% * 67.1270% (0.80   0.75  27.06) =  85.479%  kept
          HG12  ILE   89 - QD    PHE   45   4.38 +/- 0.52  30.555% * 25.8744% (0.31   0.75  12.38) =  14.518%  kept
          HB3   LEU   71 - QD    PHE   45  13.24 +/- 0.66   0.043% *  2.2157% (0.99   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - QD    PHE   45  15.57 +/- 1.17   0.019% *  1.7084% (0.76   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD    PHE   45  16.62 +/- 1.01   0.011% *  2.2355% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD    PHE   45  13.84 +/- 0.72   0.030% *  0.8390% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.31, residual support = 17.6:
        T QG1   VAL   75 - QE    PHE   45   2.73 +/- 0.40  99.971% * 99.9191% (0.90 10.00   2.31  17.55) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.22 +/- 0.97   0.029% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 0.622, residual support = 10.7:
          HB    ILE   89 - QE    PHE   45   4.45 +/- 0.76   9.569% * 94.2242% (0.61   0.72  12.38) =  86.036%  kept
          HB    VAL   43 - QE    PHE   45   2.61 +/- 0.59  90.289% *  1.6190% (0.38   0.02   0.02) =  13.949%  kept
          QD    LYS+  81 - QE    PHE   45   9.83 +/- 1.16   0.083% *  1.3314% (0.31   0.02   0.02) =   0.011%
          QG1   ILE   56 - QE    PHE   45  10.43 +/- 1.07   0.039% *  0.6656% (0.15   0.02   0.02) =   0.003%
          HB2   LYS+  99 - QE    PHE   45  12.88 +/- 0.68   0.009% *  1.1994% (0.28   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    PHE   45  12.68 +/- 0.84   0.010% *  0.9604% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.77:
          HB3   MET   96 - QE    PHE   45   2.63 +/- 0.97  99.813% * 93.6218% (0.45   2.00   9.77) =  99.997%  kept
          HB    VAL   18 - QE    PHE   45  11.60 +/- 1.13   0.108% *  1.4344% (0.69   0.02   0.02) =   0.002%
          HB2   LEU   40 - QE    PHE   45  13.31 +/- 0.54   0.030% *  1.7443% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   67 - QE    PHE   45  13.78 +/- 0.90   0.031% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QE    PHE   45  16.19 +/- 0.53   0.012% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  19.06 +/- 1.33   0.006% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 1 structures by 0.09 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.97, residual support = 9.75:
        T HB2   MET   96 - QE    PHE   45   3.42 +/- 1.01  94.926% * 89.0874% (0.22 10.00   1.97   9.77) =  99.867%  kept
          HB3   ASP-  76 - QE    PHE   45   9.07 +/- 0.57   1.244% *  8.4472% (0.73  1.00   0.57   0.02) =   0.124%
        T HB3   PHE   72 - QE    PHE   45   9.94 +/- 0.54   0.370% *  0.7116% (0.18 10.00   0.02   0.02) =   0.003%
          QG    GLN   90 - QE    PHE   45   7.38 +/- 0.55   2.837% *  0.0905% (0.22  1.00   0.02   0.02) =   0.003%
          HB2   ASP- 105 - QE    PHE   45  10.66 +/- 0.86   0.198% *  0.3751% (0.92  1.00   0.02   0.02) =   0.001%
          HG3   MET   92 - QE    PHE   45  12.11 +/- 0.73   0.184% *  0.3921% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   45  13.97 +/- 0.92   0.129% *  0.3644% (0.90  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    PHE   45  12.25 +/- 0.94   0.080% *  0.2138% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.27 +/- 0.90   0.016% *  0.2629% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.34 +/- 1.17   0.017% *  0.0550% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 2 structures by 0.17 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.5:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  97.195% * 99.8696% (0.53  10.0 10.00   1.00  80.51) =  99.996%  kept
          HZ3   TRP   27 - QE    PHE   45   4.74 +/- 1.29   2.805% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.004%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.52, residual support = 80.5:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.996% * 99.6976% (0.65  10.0   3.52  80.51) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  12.48 +/- 0.89   0.004% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  18.52 +/- 0.99   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  17.67 +/- 1.27   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.77:
          HB3   MET   96 - QD    PHE   45   4.47 +/- 0.60  98.810% * 96.5080% (0.80   2.00   9.77) =  99.994%  kept
          HB    VAL   18 - QD    PHE   45  10.80 +/- 1.06   0.734% *  0.4111% (0.34   0.02   0.02) =   0.003%
          HB2   LEU   40 - QD    PHE   45  14.41 +/- 0.44   0.124% *  1.2052% (1.00   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD    PHE   45  14.03 +/- 0.54   0.143% *  0.7310% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD    PHE   45  13.82 +/- 0.83   0.164% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  19.23 +/- 1.21   0.023% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  27.36 +/- 2.24   0.003% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 3 structures by 0.21 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.871, support = 1.94, residual support = 9.18:
          HB2   MET   96 - QD    PHE   45   5.41 +/- 0.65  84.911% * 63.6586% (0.87   2.00   9.77) =  94.012%  kept
          HB3   ASP-  76 - QD    PHE   45   7.91 +/- 0.40  10.121% * 33.8585% (0.92   1.00   0.02) =   5.960%  kept
          HB2   ASP- 105 - QD    PHE   45  11.15 +/- 0.69   1.246% *  0.5329% (0.73   0.02   0.02) =   0.012%
          HG3   MET   92 - QD    PHE   45  10.39 +/- 0.82   2.367% *  0.2503% (0.34   0.02   0.02) =   0.010%
          HB    VAL   70 - QD    PHE   45  13.70 +/- 0.58   0.382% *  0.3290% (0.45   0.02   0.02) =   0.002%
          QG    GLN   17 - QD    PHE   45  14.20 +/- 0.62   0.319% *  0.2754% (0.38   0.02   0.02) =   0.002%
          HB2   GLU-  25 - QD    PHE   45  13.94 +/- 0.65   0.349% *  0.2040% (0.28   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QD    PHE   45  17.92 +/- 0.82   0.069% *  0.7082% (0.97   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   45  15.11 +/- 0.74   0.236% *  0.1830% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 4 structures by 0.56 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.94, residual support = 80.5:
      O T HB3   PHE   45 - QD    PHE   45   2.28 +/- 0.02  99.869% * 99.5701% (0.80  10.0 10.00   4.94  80.51) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   8.00 +/- 0.47   0.058% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   7.99 +/- 0.97   0.067% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.96 +/- 1.19   0.002% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  12.99 +/- 0.80   0.003% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  16.06 +/- 0.86   0.001% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.23, residual support = 80.5:
      O T HB2   PHE   45 - QD    PHE   45   2.66 +/- 0.04  99.932% * 99.8423% (0.97  10.0 10.00   4.23  80.51) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   9.50 +/- 1.21   0.061% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.49 +/- 1.02   0.007% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.1:
          HB    THR   94 - QD    PHE   45   3.84 +/- 0.61  96.026% * 93.8952% (0.69   2.96  27.06) =  99.978%  kept
          QB    SER   85 - QD    PHE   45   8.43 +/- 0.30   1.271% *  0.8745% (0.95   0.02   0.02) =   0.012%
          QB    SER   48 - QD    PHE   45   9.50 +/- 0.61   0.567% *  0.7403% (0.80   0.02   0.02) =   0.005%
          HA    ALA   88 - QD    PHE   45   8.23 +/- 0.31   1.685% *  0.1426% (0.15   0.02   0.02) =   0.003%
          HD2   PRO   52 - QD    PHE   45  11.12 +/- 0.50   0.225% *  0.2853% (0.31   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    PHE   45  14.12 +/- 0.31   0.054% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  15.46 +/- 0.65   0.030% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  13.75 +/- 0.81   0.065% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  16.89 +/- 0.66   0.018% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.26 +/- 0.69   0.017% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  16.98 +/- 0.80   0.017% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.54 +/- 0.68   0.024% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 1 structures by 0.10 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 4.35, residual support = 19.2:
          HA    ASP-  44 - QD    PHE   45   2.57 +/- 0.25  97.495% * 93.6133% (0.34   4.35  19.20) =  99.990%  kept
          HB    THR   77 - QD    PHE   45   5.67 +/- 0.76   2.142% *  0.3508% (0.28   0.02   8.41) =   0.008%
          HA    ASP-  86 - QD    PHE   45   9.16 +/- 0.34   0.056% *  1.2367% (0.98   0.02   0.02) =   0.001%
          HA    SER   85 - QD    PHE   45   8.23 +/- 0.33   0.111% *  0.3508% (0.28   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   45   7.58 +/- 0.44   0.175% *  0.1947% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  13.59 +/- 0.48   0.005% *  1.0539% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.27 +/- 1.28   0.015% *  0.2497% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  19.66 +/- 0.92   0.001% *  1.2589% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  24.30 +/- 1.50   0.000% *  1.2177% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  26.56 +/- 1.88   0.000% *  0.4735% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.94, residual support = 80.5:
          HA    PHE   45 - QD    PHE   45   3.19 +/- 0.21  99.507% * 96.7764% (0.25   4.94  80.51) =  99.997%  kept
          HA    MET   92 - QD    PHE   45   8.69 +/- 1.06   0.422% *  0.3921% (0.25   0.02   0.02) =   0.002%
          HA    VAL   41 - QD    PHE   45  10.94 +/- 0.19   0.064% *  1.2591% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.17 +/- 0.83   0.007% *  1.5724% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.59, residual support = 78.8:
          HN    PHE   45 - QD    PHE   45   1.93 +/- 0.29  96.458% * 56.0879% (0.45   5.62  80.51) =  97.245%  kept
          HN    ASP-  44 - QD    PHE   45   4.09 +/- 0.34   3.532% * 43.3900% (0.45   4.35  19.20) =   2.755%  kept
          HN    ALA  110 - QD    PHE   45   9.79 +/- 1.16   0.007% *  0.3056% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.80 +/- 0.66   0.003% *  0.2166% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.5:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.991% * 99.7606% (0.98  10.0   1.00  80.51) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  10.54 +/- 0.69   0.009% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  19.90 +/- 1.40   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 104 (6.61, 7.35, 128.88 ppm):
    3 chemical-shift based assignments, quality = 0.667, support = 4.01, residual support = 40.2:
          HN    TRP   49 - HD1   TRP   49   2.25 +/- 0.80  67.050% * 34.4359% (0.38   4.62  74.81) =  51.756%  kept
          HN    CYS   50 - HD1   TRP   49   2.82 +/- 1.25  32.948% * 65.3231% (0.98   3.36   3.13) =  48.244%  kept
          HN    VAL   83 - HD1   TRP   49  16.07 +/- 1.22   0.001% *  0.2410% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.07, residual support = 74.8:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.07  74.81) = 100.000%  kept
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 74.8:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  74.81) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  18.29 +/- 1.25   0.001% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  25.75 +/- 1.17   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 74.8:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  74.81) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 74.8:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  74.81) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  23.84 +/- 1.71   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 110 (0.08, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.892, support = 1.47, residual support = 8.56:
          QD1   ILE   89 - HZ    PHE   45   3.51 +/- 0.58  56.063% * 56.8483% (0.84   1.70  12.38) =  63.435%  kept
          QG2   VAL   83 - HZ    PHE   45   3.83 +/- 0.96  43.205% * 42.5089% (0.99   1.07   1.93) =  36.555%  kept
          QD2   LEU   31 - HZ    PHE   45   7.73 +/- 0.68   0.732% *  0.6428% (0.80   0.02   0.02) =   0.009%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.83, residual support = 74.8:
      O T HB2   TRP   49 - HD1   TRP   49   3.82 +/- 0.21  99.709% * 99.5547% (0.65  10.0 10.00   3.83  74.81) = 100.000%  kept
          HA    ALA   84 - HD1   TRP   49  12.72 +/- 1.27   0.097% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD1   TRP   49  14.03 +/- 1.22   0.050% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  13.23 +/- 1.93   0.090% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  14.16 +/- 1.38   0.048% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.26 +/- 1.55   0.003% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  22.89 +/- 1.63   0.003% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 3.83, residual support = 74.8:
      O T HB3   TRP   49 - HD1   TRP   49   3.17 +/- 0.30  99.992% * 99.9191% (0.90  10.0 10.00   3.83  74.81) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.39 +/- 1.42   0.008% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.73, residual support = 14.9:
          QB    ALA   47 - HD1   TRP   49   2.55 +/- 1.12  99.983% * 98.6584% (0.84   2.73  14.94) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.02 +/- 1.24   0.006% *  0.6286% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  17.30 +/- 2.00   0.007% *  0.3249% (0.38   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  17.01 +/- 1.43   0.005% *  0.3881% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.866, support = 0.749, residual support = 3.48:
          HB3   PRO   52 - HZ2   TRP   49   4.67 +/- 0.95  88.406% * 69.1350% (0.87  1.00   0.75   3.49) =  99.813%  kept
          HB3   GLN   90 - HZ2   TRP   49   9.08 +/- 2.05  10.595% *  0.9529% (0.45  1.00   0.02   0.02) =   0.165%
          HG2   ARG+  54 - HZ2   TRP   49  10.19 +/- 0.88   0.752% *  1.4599% (0.69  1.00   0.02   0.02) =   0.018%
          QB    LYS+  81 - HZ2   TRP   49  14.37 +/- 1.25   0.115% *  0.7977% (0.38  1.00   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HZ2   TRP   49  14.73 +/- 1.00   0.089% *  0.7250% (0.34  1.00   0.02   0.02) =   0.001%
        T HG    LEU  123 - HZ2   TRP   49  25.48 +/- 1.21   0.003% * 18.4360% (0.87 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HZ2   TRP   49  21.36 +/- 1.15   0.010% *  1.3749% (0.65  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.44 +/- 1.72   0.008% *  1.2891% (0.61  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  23.39 +/- 1.63   0.006% *  1.5433% (0.73  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  21.56 +/- 1.08   0.009% *  0.5909% (0.28  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  24.49 +/- 1.13   0.004% *  0.9529% (0.45  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  27.68 +/- 0.96   0.002% *  1.1182% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  30.24 +/- 1.28   0.001% *  1.6243% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 3 structures by 0.50 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 14.9:
          QB    ALA   47 - HZ2   TRP   49   4.27 +/- 0.46  99.816% * 98.0051% (0.69   2.03  14.94) =  99.999%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  14.70 +/- 2.09   0.121% *  0.3498% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   42 - HZ2   TRP   49  16.05 +/- 0.67   0.040% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  17.74 +/- 0.76   0.023% *  0.8509% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.27 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.346, support = 0.743, residual support = 3.46:
          HG2   PRO   52 - HH2   TRP   49   3.50 +/- 0.87  86.781% * 73.0242% (0.34   0.75   3.49) =  98.980%  kept
          HG2   MET   92 - HH2   TRP   49   5.68 +/- 1.12  13.056% *  4.9520% (0.87   0.02   0.02) =   1.010%  kept
          QG    GLU- 114 - HH2   TRP   49  14.00 +/- 1.81   0.123% *  4.5712% (0.80   0.02   0.02) =   0.009%
          HB2   GLU-  79 - HH2   TRP   49  18.37 +/- 1.90   0.014% *  4.1454% (0.73   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HH2   TRP   49  16.99 +/- 1.61   0.025% *  0.9998% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  28.30 +/- 1.63   0.001% *  1.4235% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  28.78 +/- 2.22   0.001% *  1.1298% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  28.75 +/- 1.97   0.001% *  0.8808% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  38.10 +/- 1.95   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  36.62 +/- 2.00   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.49:
          HB3   PRO   52 - HH2   TRP   49   4.67 +/- 0.30  95.970% * 92.8146% (0.87   2.00   3.49) =  99.976%  kept
          HB3   GLN   90 - HH2   TRP   49  10.65 +/- 2.22   2.834% *  0.4797% (0.45   0.02   0.02) =   0.015%
          HG2   ARG+  54 - HH2   TRP   49  10.25 +/- 0.84   0.986% *  0.7350% (0.69   0.02   0.02) =   0.008%
          QB    LYS+  81 - HH2   TRP   49  15.90 +/- 1.33   0.082% *  0.4016% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HH2   TRP   49  15.84 +/- 1.54   0.087% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  22.40 +/- 1.77   0.010% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.90 +/- 2.34   0.007% *  0.6490% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.77 +/- 2.26   0.006% *  0.7770% (0.73   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  26.09 +/- 1.38   0.004% *  0.9281% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.31 +/- 1.72   0.010% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  26.06 +/- 1.91   0.004% *  0.4797% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  29.14 +/- 1.74   0.002% *  0.5629% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  31.26 +/- 1.79   0.001% *  0.8177% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.45 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.26, residual support = 19.8:
      O   QB    PHE   55 - QD    PHE   55   2.15 +/- 0.02  99.719% * 99.2903% (0.25  10.0   2.26  19.76) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.82 +/- 0.46   0.108% *  0.2415% (0.61   1.0   0.02   3.17) =   0.000%
          HD3   PRO   93 - QD    PHE   55   7.61 +/- 1.25   0.113% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   55   7.96 +/- 0.78   0.060% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.38 +/- 0.84   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.93, residual support = 18.3:
          HA    PHE   55 - QD    PHE   55   3.07 +/- 0.29  91.373% * 52.2051% (0.84   1.97  19.76) =  92.305%  kept
          HA    ALA  110 - QD    PHE   55   5.50 +/- 1.57   8.522% * 46.6653% (1.00   1.47   0.48) =   7.695%  kept
          HA    VAL  107 - QD    PHE   55  10.75 +/- 0.79   0.059% *  0.2167% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  15.36 +/- 1.12   0.008% *  0.6131% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  12.54 +/- 1.14   0.034% *  0.1414% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.05 +/- 0.75   0.004% *  0.1584% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 124 (1.43, 7.32, 132.31 ppm):
    14 chemical-shift based assignments, quality = 0.632, support = 1.12, residual support = 1.74:
          QB    ALA  110 - QD    PHE   55   4.23 +/- 1.44  79.395% * 24.1164% (0.80  1.00   0.44   0.48) =  65.744%  kept
          HB3   LEU  115 - QD    PHE   55   6.53 +/- 1.24  19.258% * 51.6217% (0.31  1.00   2.44   4.16) =  34.134%  kept
        T QG    LYS+  66 - QD    PHE   55  13.02 +/- 1.17   0.161% * 12.9736% (0.95 10.00   0.02   0.02) =   0.072%
          QB    ALA   61 - QD    PHE   55   9.78 +/- 0.64   0.943% *  1.3236% (0.97  1.00   0.02   0.02) =   0.043%
        T HG    LEU   67 - QD    PHE   55  17.47 +/- 1.29   0.030% *  3.0534% (0.22 10.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QD    PHE   55  18.17 +/- 0.97   0.021% *  1.3715% (1.00  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   55  15.97 +/- 1.67   0.096% *  0.2714% (0.20  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD    PHE   55  20.77 +/- 1.56   0.011% *  1.1456% (0.84  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   55  20.00 +/- 0.86   0.011% *  1.0982% (0.80  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   55  21.05 +/- 1.49   0.010% *  0.9959% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    PHE   55  17.31 +/- 1.05   0.034% *  0.2402% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  20.42 +/- 1.87   0.016% *  0.4233% (0.31  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   55  20.17 +/- 0.77   0.011% *  0.4233% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  25.53 +/- 1.67   0.003% *  0.9421% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 2 structures by 0.40 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 1.75, residual support = 4.16:
          QD2   LEU  115 - QD    PHE   55   5.54 +/- 1.21  91.436% * 86.6761% (0.87  1.00   1.75   4.16) =  99.880%  kept
          QD1   LEU   63 - QD    PHE   55   9.35 +/- 0.84   5.475% *  1.1383% (1.00  1.00   0.02   0.02) =   0.079%
          QD2   LEU   63 - QD    PHE   55  10.63 +/- 1.06   2.485% *  0.6002% (0.53  1.00   0.02   0.02) =   0.019%
        T QD2   LEU   80 - QD    PHE   55  17.66 +/- 1.49   0.156% *  9.5293% (0.84 10.00   0.02   0.02) =   0.019%
          QD1   LEU   73 - QD    PHE   55  17.56 +/- 0.76   0.153% *  1.1383% (1.00  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QD    PHE   55  17.13 +/- 0.87   0.154% *  0.6920% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   55  17.74 +/- 0.95   0.141% *  0.2258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 12 structures by 1.43 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.33 +/- 1.63  99.602% * 72.5341% (0.99   0.02   0.02) =  99.849%  kept
          HB3   TRP   49 - QE    PHE   95  14.93 +/- 2.14   0.398% * 27.4659% (0.38   0.02   0.02) =   0.151%
    Distance limit 4.10 A violated in 10 structures by 1.45 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.308, support = 2.58, residual support = 40.9:
          HB    VAL  107 - QE    PHE   95   4.42 +/- 0.65  80.454% * 33.1969% (0.28  1.00   2.86  45.66) =  89.198%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.70 +/- 0.91   5.360% * 40.7059% (0.57 10.00   0.17   0.02) =   7.286%  kept
          HB3   PHE   45 - QE    PHE   95   7.28 +/- 1.25   7.452% *  6.7144% (0.69  1.00   0.23   1.89) =   1.671%  kept
          HG3   MET   96 - QE    PHE   95   9.03 +/- 1.49   2.708% * 12.0211% (0.20  1.00   1.45  11.99) =   1.087%  kept
        T QE    LYS+ 112 - QE    PHE   95   8.52 +/- 2.34   3.942% *  5.7381% (0.69 10.00   0.02   0.02) =   0.755%  kept
          HB3   ASP-  86 - QE    PHE   95  14.70 +/- 0.59   0.071% *  0.7902% (0.95  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - QE    PHE   95  20.08 +/- 1.72   0.012% *  0.8335% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 1 structures by 0.09 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.595, support = 0.456, residual support = 0.462:
          QG1   ILE   56 - QE    PHE   95   4.01 +/- 2.00  74.244% * 30.0492% (0.53   0.46   0.55) =  83.239%  kept
          QD    LYS+ 106 - QE    PHE   95   8.87 +/- 1.21   7.293% * 57.9322% (1.00   0.47   0.02) =  15.764%  kept
          HG3   PRO   93 - QE    PHE   95   6.53 +/- 2.33   8.415% *  0.9337% (0.38   0.02   0.02) =   0.293%
          HB2   LEU   73 - QE    PHE   95  10.18 +/- 1.63   3.380% *  2.2966% (0.92   0.02   0.02) =   0.290%
          HB3   MET   92 - QE    PHE   95   8.89 +/- 2.02   2.199% *  1.9921% (0.80   0.02   0.02) =   0.163%
          QD    LYS+  99 - QE    PHE   95  13.17 +/- 2.30   1.420% *  2.4878% (1.00   0.02   0.02) =   0.132%
          HB3   LYS+  99 - QE    PHE   95  13.15 +/- 2.55   1.862% *  1.0228% (0.41   0.02   0.02) =   0.071%
          HB2   LEU  123 - QE    PHE   95  12.89 +/- 1.32   0.582% *  1.0228% (0.41   0.02   0.02) =   0.022%
          HD2   LYS+ 111 - QE    PHE   95  10.66 +/- 1.98   0.311% *  1.7089% (0.69   0.02   0.02) =   0.020%
          QD    LYS+ 102 - QE    PHE   95  15.47 +/- 2.23   0.293% *  0.5539% (0.22   0.02   0.02) =   0.006%
    Distance limit 4.45 A violated in 6 structures by 0.55 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.68, support = 2.59, residual support = 45.0:
          QG2   VAL  107 - QE    PHE   95   3.64 +/- 1.11  91.219% * 73.3500% (0.69  1.00   2.61  45.66) =  97.984%  kept
          QG2   THR   94 - QE    PHE   95   6.28 +/- 0.47   5.668% * 23.8983% (0.34  1.00   1.71  14.44) =   1.984%  kept
          HG13  ILE  103 - QE    PHE   95  11.33 +/- 2.35   1.646% *  0.8161% (1.00  1.00   0.02   0.02) =   0.020%
        T QB    ALA   20 - QE    PHE   95  11.10 +/- 1.27   0.370% *  1.2619% (0.15 10.00   0.02   0.02) =   0.007%
          HG2   LYS+ 121 - QE    PHE   95  11.90 +/- 1.77   0.732% *  0.3667% (0.45  1.00   0.02   0.02) =   0.004%
          HB3   LYS+ 112 - QE    PHE   95   9.53 +/- 2.18   0.365% *  0.3070% (0.38  1.00   0.02   0.02) =   0.002%
    Distance limit 4.49 A violated in 0 structures by 0.14 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.918, support = 1.67, residual support = 3.47:
          QD2   LEU  115 - QE    PHE   95   5.42 +/- 1.94  32.187% * 53.3582% (0.87  1.00   2.27   3.68) =  48.578%  kept
          QD1   LEU   63 - QE    PHE   95   3.79 +/- 1.18  56.324% * 30.1262% (1.00  1.00   1.12   3.26) =  47.995%  kept
          QD2   LEU   63 - QE    PHE   95   5.33 +/- 1.52  10.941% * 11.0186% (0.53  1.00   0.77   3.26) =   3.410%  kept
        T QD2   LEU   80 - QE    PHE   95  11.36 +/- 1.46   0.096% *  4.5214% (0.84 10.00   0.02   0.02) =   0.012%
          QD1   LEU   73 - QE    PHE   95   9.74 +/- 1.29   0.200% *  0.5401% (1.00  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - QE    PHE   95  10.55 +/- 1.91   0.149% *  0.3283% (0.61  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  11.16 +/- 1.05   0.103% *  0.1071% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.343, support = 1.44, residual support = 3.66:
        T QD1   LEU  115 - QE    PHE   95   4.60 +/- 1.94  71.717% * 97.9902% (0.34 10.00   1.45   3.68) =  99.331%  kept
          QB    ALA   64 - QE    PHE   95   7.05 +/- 1.44  24.363% *  1.9313% (0.57  1.00   0.17   0.02) =   0.665%  kept
          QG1   VAL   75 - QE    PHE   95   7.96 +/- 0.81   3.920% *  0.0784% (0.20  1.00   0.02   0.02) =   0.004%
    Distance limit 4.13 A violated in 4 structures by 0.48 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.13, residual support = 71.9:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.057% * 99.6256% (0.84  10.0   1.13  71.94) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   5.00 +/- 0.41   0.940% *  0.0325% (0.15   1.0   0.02  11.98) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  13.10 +/- 0.75   0.003% *  0.1889% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  15.38 +/- 1.18   0.001% *  0.1530% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.85, residual support = 71.9:
      O T HB3   PHE   60 - QD    PHE   60   2.68 +/- 0.11  99.741% * 99.7227% (0.73  10.0 10.00   3.85  71.94) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.16 +/- 1.18   0.183% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.17 +/- 1.27   0.016% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  10.33 +/- 1.07   0.040% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.92 +/- 1.20   0.015% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  14.98 +/- 0.78   0.004% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.87 +/- 1.36   0.001% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.872, support = 0.0199, residual support = 1.34:
          QD1   ILE   56 - QD    PHE   60   6.93 +/- 0.66  60.395% * 20.0170% (0.99  1.00   0.02   2.16) =  61.744%  kept
          QD2   LEU   73 - QD    PHE   60   7.85 +/- 0.97  33.513% * 16.8689% (0.84  1.00   0.02   0.02) =  28.873%  kept
        T QG1   VAL   41 - QD    PHE   60  10.88 +/- 0.91   4.615% * 35.3689% (0.18 10.00   0.02   0.02) =   8.337%  kept
          HG    LEU   31 - QD    PHE   60  14.29 +/- 0.96   0.803% * 13.8726% (0.69  1.00   0.02   0.02) =   0.569%  kept
          HG3   LYS+ 121 - QD    PHE   60  14.88 +/- 1.18   0.673% * 13.8726% (0.69  1.00   0.02   0.02) =   0.477%
    Distance limit 3.74 A violated in 20 structures by 2.55 A, eliminated.
    Peak unassigned.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.78, residual support = 2.72:
          QB    ALA   64 - QD    PHE   60   4.35 +/- 0.77 100.000% *100.0000% (0.95   1.78   2.72) = 100.000%  kept
    Distance limit 3.67 A violated in 7 structures by 0.77 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.1, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   3.41 +/- 0.58  99.721% * 99.3281% (0.97   4.10  62.65) =  99.999%  kept
          HN    LEU  115 - QD    PHE   97  10.06 +/- 0.85   0.238% *  0.4846% (0.97   0.02   0.02) =   0.001%
          HN    ASP- 113 - QD    PHE   97  13.40 +/- 0.82   0.039% *  0.0994% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  22.92 +/- 1.80   0.002% *  0.0879% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 141 (3.70, 7.13, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.689, support = 1.11, residual support = 1.39:
          HA    ILE  119 - QD    PHE   97   5.87 +/- 1.58  42.869% * 57.1770% (0.76   1.18   1.09) =  52.499%  kept
          HA    THR  118 - QD    PHE   97   5.53 +/- 0.93  55.537% * 39.9178% (0.61   1.04   1.73) =  47.483%  kept
          HA    VAL   75 - QD    PHE   97  12.79 +/- 1.17   0.513% *  0.6685% (0.53   0.02   0.02) =   0.007%
          HA    ALA   84 - QD    PHE   97  13.96 +/- 1.20   0.348% *  0.6185% (0.49   0.02   0.02) =   0.005%
          HA2   GLY  109 - QD    PHE   97  13.36 +/- 0.93   0.405% *  0.3922% (0.31   0.02   0.02) =   0.003%
          HD3   PRO   58 - QD    PHE   97  13.30 +/- 0.93   0.306% *  0.3533% (0.28   0.02   0.02) =   0.002%
          HB2   TRP   49 - QD    PHE   97  21.36 +/- 1.13   0.022% *  0.8728% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 8 structures by 0.88 A, kept.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 62.6:
      O T HB2   PHE   97 - QD    PHE   97   2.42 +/- 0.14  98.823% * 99.6874% (0.90  10.0 10.00   2.44  62.65) =  99.999%  kept
          QE    LYS+ 106 - QD    PHE   97   6.34 +/- 1.08   0.617% *  0.1051% (0.95   1.0  1.00   0.02  10.06) =   0.001%
          QE    LYS+  99 - QD    PHE   97   6.50 +/- 1.19   0.502% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97   9.51 +/- 1.53   0.052% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  12.79 +/- 0.78   0.005% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.6:
      O T HB3   PHE   97 - QD    PHE   97   2.64 +/- 0.15  99.944% * 99.7112% (1.00  10.0 10.00   2.74  62.65) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.65 +/- 1.09   0.032% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  11.62 +/- 0.99   0.017% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  13.91 +/- 1.09   0.005% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.08 +/- 0.91   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.783, support = 1.0, residual support = 2.17:
          QG1   VAL  107 - QD    PHE   97   5.07 +/- 0.91  79.094% * 61.6651% (0.84   0.99   2.33) =  87.790%  kept
          HG13  ILE  119 - QD    PHE   97   6.86 +/- 1.55  19.512% * 34.7024% (0.41   1.13   1.09) =  12.188%  kept
          HB3   LEU   31 - QD    PHE   97  11.78 +/- 0.83   1.015% *  0.6706% (0.45   0.02   0.02) =   0.012%
          QG1   VAL   24 - QD    PHE   97  13.94 +/- 1.54   0.251% *  1.4957% (1.00   0.02   0.02) =   0.007%
          HD3   LYS+ 112 - QD    PHE   97  14.87 +/- 1.78   0.128% *  1.4661% (0.98   0.02   0.02) =   0.003%
    Distance limit 3.75 A violated in 10 structures by 1.10 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.713, support = 3.12, residual support = 15.7:
          HB2   LEU  104 - QD    PHE   97   3.94 +/- 0.84  82.184% * 60.2323% (0.69   3.30  17.37) =  89.856%  kept
          QD1   ILE  119 - QD    PHE   97   6.95 +/- 1.75  14.243% * 39.1655% (0.95   1.56   1.09) =  10.126%  kept
          QG2   VAL  108 - QD    PHE   97   7.81 +/- 0.75   3.163% *  0.2797% (0.53   0.02   0.02) =   0.016%
          HB    VAL   75 - QD    PHE   97  10.76 +/- 1.28   0.411% *  0.3225% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 3 structures by 0.26 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.197, support = 1.36, residual support = 1.72:
          QG2   THR  118 - QD    PHE   97   3.12 +/- 0.95  90.545% * 97.5276% (0.20   1.36   1.73) =  99.736%  kept
          QG2   VAL   70 - QD    PHE   97   5.21 +/- 1.08   9.455% *  2.4724% (0.34   0.02   0.02) =   0.264%
    Distance limit 4.04 A violated in 1 structures by 0.11 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.993, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.00 +/- 1.07  95.336% * 85.0969% (1.00   0.02   0.02) =  99.151%  kept
          QB    ALA   47 - QD    PHE   97  13.59 +/- 0.89   4.664% * 14.9031% (0.18   0.02   0.02) =   0.849%  kept
    Distance limit 4.35 A violated in 20 structures by 3.58 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.56, residual support = 28.4:
          HN    LEU  115 - QD    PHE   59   5.24 +/- 0.99  88.355% * 98.9290% (0.97   2.56  28.39) =  99.963%  kept
          HN    PHE   97 - QD    PHE   59  10.23 +/- 1.10   2.212% *  0.7724% (0.97   0.02   0.02) =   0.020%
          HN    ASP- 113 - QD    PHE   59   7.94 +/- 0.84   9.420% *  0.1584% (0.20   0.02   0.02) =   0.017%
          HN    ALA   12 - QD    PHE   59  24.89 +/- 1.29   0.012% *  0.1402% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 6 structures by 0.75 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.58, residual support = 54.6:
          HA    PHE   59 - QD    PHE   59   3.22 +/- 0.44  77.485% * 76.2080% (0.61   2.73  57.30) =  92.749%  kept
          HA    ILE   56 - QD    PHE   59   4.45 +/- 0.85  22.017% * 20.9492% (0.61   0.75  19.86) =   7.245%  kept
          HA    ASP- 113 - QD    PHE   59   7.87 +/- 0.55   0.414% *  0.9190% (1.00   0.02   0.02) =   0.006%
          HA    LEU  123 - QD    PHE   59  10.66 +/- 0.63   0.068% *  0.4483% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.11 +/- 0.96   0.009% *  0.7375% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  16.32 +/- 1.33   0.006% *  0.1421% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  21.26 +/- 1.30   0.001% *  0.5958% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 2.17, residual support = 17.1:
        T HA    ILE  119 - QD    PHE   59   5.37 +/- 0.88  82.526% * 57.9075% (1.00 10.00   2.25  17.98) =  88.763%  kept
        T HA    THR  118 - QD    PHE   59   7.36 +/- 1.10  14.425% * 41.9339% (0.95 10.00   1.53  10.13) =  11.235%  kept
          HA2   GLY  109 - QD    PHE   59  10.67 +/- 1.54   2.218% *  0.0399% (0.69  1.00   0.02   0.02) =   0.002%
          HA    ALA   84 - QD    PHE   59  15.56 +/- 1.31   0.202% *  0.0503% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD    PHE   59  15.92 +/- 1.23   0.158% *  0.0569% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  13.68 +/- 1.80   0.471% *  0.0115% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 7 structures by 0.98 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.44, residual support = 57.3:
      O   HB2   PHE   59 - QD    PHE   59   2.45 +/- 0.14  99.697% * 99.6982% (0.97  10.0   2.44  57.30) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.21 +/- 0.61   0.183% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.01 +/- 1.21   0.067% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   9.73 +/- 1.21   0.034% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  12.32 +/- 0.86   0.007% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  11.70 +/- 1.46   0.012% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.86, residual support = 57.3:
      O   HB3   PHE   59 - QD    PHE   59   2.43 +/- 0.16  99.999% * 99.9680% (0.97  10.0   2.86  57.30) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.49 +/- 1.12   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 0.02, residual support = 25.0:
          HB2   PRO   58 - QD    PHE   59   5.76 +/- 0.76  56.396% * 31.0944% (0.99   0.02  37.87) =  66.076%  kept
          HB2   GLN  116 - QD    PHE   59   6.14 +/- 0.59  40.294% * 20.2947% (0.65   0.02   0.02) =  30.813%  kept
          HB3   PHE   97 - QD    PHE   59  10.02 +/- 1.23   3.254% * 25.1208% (0.80   0.02   0.02) =   3.080%  kept
          HB2   GLU- 100 - QD    PHE   59  19.20 +/- 0.92   0.044% * 16.5055% (0.53   0.02   0.02) =   0.027%
          HG3   GLU-  25 - QD    PHE   59  24.34 +/- 1.85   0.011% *  6.9845% (0.22   0.02   0.02) =   0.003%
    Distance limit 4.18 A violated in 15 structures by 0.96 A, eliminated.
    Peak unassigned.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 19.9:
        T QG1   ILE   56 - QD    PHE   59   3.17 +/- 0.56  99.789% * 99.7160% (0.97 10.00   1.97  19.86) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  10.56 +/- 1.19   0.130% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  14.48 +/- 1.04   0.017% *  0.1045% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  14.48 +/- 1.32   0.015% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  13.92 +/- 0.97   0.022% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  13.33 +/- 1.53   0.027% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (1.44, 7.19, 131.79 ppm):
    13 chemical-shift based assignments, quality = 0.551, support = 2.37, residual support = 28.4:
          HB3   LEU  115 - QD    PHE   59   2.99 +/- 1.43  53.944% * 70.9443% (0.65   2.24  28.39) =  80.535%  kept
          HG    LEU  115 - QD    PHE   59   3.12 +/- 0.98  41.730% * 22.1011% (0.15   2.92  28.39) =  19.408%  kept
          QB    ALA   61 - QD    PHE   59   6.08 +/- 0.39   2.310% *  0.6740% (0.69   0.02   0.25) =   0.033%
          QG    LYS+  66 - QD    PHE   59   7.44 +/- 1.30   0.854% *  0.9469% (0.97   0.02   0.02) =   0.017%
          QB    ALA  110 - QD    PHE   59   7.27 +/- 1.25   0.274% *  0.4399% (0.45   0.02   0.02) =   0.003%
          QB    ALA  120 - QD    PHE   59   7.05 +/- 0.48   0.666% *  0.1514% (0.15   0.02   0.02) =   0.002%
          HG    LEU   67 - QD    PHE   59  10.26 +/- 1.44   0.124% *  0.5162% (0.53   0.02   0.02) =   0.001%
          HB3   LEU   67 - QD    PHE   59  10.89 +/- 1.17   0.050% *  0.8196% (0.84   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   59  13.68 +/- 1.74   0.011% *  0.9790% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   59  12.81 +/- 0.88   0.017% *  0.6347% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  14.86 +/- 1.73   0.013% *  0.3683% (0.38   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  17.25 +/- 2.09   0.005% *  0.4776% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  19.10 +/- 1.87   0.002% *  0.9469% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.519, support = 2.26, residual support = 13.8:
        T HG13  ILE  119 - QD    PHE   59   3.53 +/- 0.64  55.684% * 64.7505% (0.41 10.00   2.85  17.98) =  74.547%  kept
        T QG1   VAL  107 - QD    PHE   59   4.35 +/- 1.10  35.268% * 34.8671% (0.84 10.00   0.53   1.74) =  25.424%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.44 +/- 2.03   9.038% *  0.1544% (0.98  1.00   0.02   0.02) =   0.029%
          QG1   VAL   24 - QD    PHE   59  16.74 +/- 2.11   0.006% *  0.1575% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  18.85 +/- 1.63   0.003% *  0.0706% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.904, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.47 +/- 1.05  72.016% * 60.0043% (0.98   0.02   0.02) =  87.958%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.97 +/- 1.02  19.367% * 22.9752% (0.38   0.02   0.02) =   9.057%  kept
          HB3   LEU  104 - QD    PHE   59  12.77 +/- 1.05   8.616% * 17.0205% (0.28   0.02   0.02) =   2.985%  kept
    Distance limit 4.35 A violated in 20 structures by 3.60 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.971, support = 4.01, residual support = 25.5:
          QD2   LEU  115 - QD    PHE   59   2.67 +/- 0.88  60.458% * 78.5932% (0.98   4.35  28.39) =  89.736%  kept
          QD1   LEU   63 - QD    PHE   59   3.35 +/- 0.81  28.042% * 18.7495% (0.92   1.10   0.58) =   9.930%  kept
          QD2   LEU   63 - QD    PHE   59   4.46 +/- 1.02  11.473% *  1.5405% (0.34   0.25   0.58) =   0.334%
          QD1   LEU  104 - QD    PHE   59  11.34 +/- 0.86   0.014% *  0.2952% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  12.38 +/- 1.46   0.007% *  0.3403% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.49 +/- 1.91   0.003% *  0.3557% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  14.41 +/- 1.43   0.003% *  0.1257% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.36, residual support = 28.4:
        T QD1   LEU  115 - QD    PHE   59   2.88 +/- 0.61  99.016% * 99.9042% (0.84 10.00   4.36  28.39) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   7.20 +/- 0.74   0.899% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.14 +/- 1.54   0.085% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 1.5, residual support = 28.3:
        T HA    LEU  115 - QE    PHE   59   3.32 +/- 1.44  93.351% * 91.6793% (0.73 10.00   1.50  28.39) =  99.769%  kept
          HA    GLU- 114 - QE    PHE   59   7.04 +/- 0.99   2.643% *  7.3966% (1.00  1.00   0.88   0.02) =   0.228%
        T HA    ARG+  54 - QE    PHE   59  10.67 +/- 1.43   0.541% *  0.3331% (0.20 10.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QE    PHE   59   8.46 +/- 1.93   3.415% *  0.0295% (0.18  1.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - QE    PHE   59  17.21 +/- 2.37   0.018% *  0.1650% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  17.90 +/- 2.07   0.014% *  0.1460% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  18.65 +/- 2.74   0.011% *  0.1156% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  20.32 +/- 2.69   0.007% *  0.1348% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 4 structures by 0.37 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.7, residual support = 10.1:
        T HB    THR  118 - QE    PHE   59   3.70 +/- 1.89  99.546% * 99.7214% (0.95 10.00   1.70  10.13) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  13.17 +/- 2.18   0.292% *  0.0752% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  16.74 +/- 1.93   0.071% *  0.0556% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  19.57 +/- 1.79   0.031% *  0.0752% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.45 +/- 1.34   0.039% *  0.0510% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.19 +/- 2.43   0.020% *  0.0217% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 5 structures by 0.67 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.792, support = 0.729, residual support = 1.79:
          HB    VAL  107 - QE    PHE   59   4.29 +/- 2.04  73.620% * 69.9866% (0.80   0.75   1.74) =  94.291%  kept
          QE    LYS+ 112 - QE    PHE   59   7.36 +/- 2.42  16.200% * 11.5806% (1.00   0.10   0.02) =   3.433%  kept
          HB3   ASP-  62 - QE    PHE   59   6.26 +/- 0.75   9.379% * 13.0648% (0.14   0.83   6.56) =   2.242%  kept
          HB3   PHE   45 - QE    PHE   59  10.44 +/- 2.83   0.777% *  2.3267% (1.00   0.02   0.02) =   0.033%
          HB3   ASP-  86 - QE    PHE   59  17.38 +/- 2.36   0.015% *  1.0455% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  22.74 +/- 2.79   0.004% *  1.4144% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  20.49 +/- 2.20   0.006% *  0.5815% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.724, support = 4.01, residual support = 17.9:
          HG12  ILE  119 - QE    PHE   59   3.11 +/- 0.79  97.854% * 84.8953% (0.73   4.02  17.98) =  99.715%  kept
          HB2   ASP-  44 - QE    PHE   59   7.44 +/- 2.74   1.942% * 12.1764% (0.99   0.42   0.02) =   0.284%
          HB3   PHE   72 - QE    PHE   59  10.19 +/- 2.02   0.113% *  0.5799% (1.00   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   59  14.37 +/- 1.93   0.017% *  0.5697% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  15.39 +/- 0.84   0.015% *  0.5498% (0.95   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  12.30 +/- 1.86   0.052% *  0.1449% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  17.76 +/- 1.22   0.005% *  0.5799% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  24.03 +/- 1.18   0.001% *  0.3058% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  21.50 +/- 2.57   0.001% *  0.1983% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.08 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.637, support = 2.62, residual support = 9.64:
          HG13  ILE  119 - QE    PHE   59   3.74 +/- 0.88  22.869% * 67.7979% (0.73   3.64  17.98) =  48.988%  kept
          QG1   VAL  107 - QE    PHE   59   3.17 +/- 1.67  65.268% * 23.2953% (0.53   1.73   1.74) =  48.039%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.43 +/- 2.55  11.850% *  7.9415% (0.95   0.33   0.02) =   2.973%  kept
          QB    ALA   20 - QE    PHE   59  13.25 +/- 2.33   0.010% *  0.1280% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  16.25 +/- 2.91   0.002% *  0.4451% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  17.81 +/- 2.59   0.001% *  0.3922% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 165 (0.60, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.769, support = 2.28, residual support = 20.4:
        T QD2   LEU  115 - QE    PHE   59   3.42 +/- 1.31  36.332% * 79.9624% (0.87 10.00   2.89  28.39) =  71.224%  kept
        T QD1   LEU   63 - QE    PHE   59   3.12 +/- 1.40  63.572% * 18.4636% (0.53 10.00   0.76   0.58) =  28.776%  kept
        T QD1   LEU  104 - QE    PHE   59  10.19 +/- 1.27   0.032% *  0.9198% (1.00 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QE    PHE   59  11.82 +/- 2.25   0.011% *  0.4850% (0.53 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  10.10 +/- 1.90   0.041% *  0.0161% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  14.11 +/- 2.65   0.005% *  0.0827% (0.90  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  13.76 +/- 2.20   0.006% *  0.0704% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.93, residual support = 28.0:
          QD1   LEU  115 - QE    PHE   59   4.16 +/- 0.59  94.902% * 78.1061% (0.45   2.96  28.39) =  98.758%  kept
          QB    ALA   64 - QE    PHE   59   7.66 +/- 1.09   4.310% * 21.5663% (0.45   0.82   0.02) =   1.238%  kept
          QG1   VAL   75 - QE    PHE   59  10.74 +/- 2.49   0.788% *  0.3276% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.31 A violated in 0 structures by 0.12 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.66, residual support = 10.1:
          QG2   THR  118 - QE    PHE   59   3.49 +/- 1.79 100.000% *100.0000% (0.80   3.66  10.13) = 100.000%  kept
    Distance limit 4.21 A violated in 5 structures by 0.58 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.13, residual support = 71.9:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  99.216% * 99.6791% (0.99  10.0   1.13  71.94) = 100.000%  kept
          QE    PHE   59 - QE    PHE   60   7.24 +/- 1.92   0.755% *  0.0494% (0.28   1.0   0.02  19.21) =   0.000%
          HN    LYS+  66 - QE    PHE   60   9.07 +/- 1.06   0.028% *  0.1358% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  14.99 +/- 0.90   0.001% *  0.1358% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 169 (2.26, 7.63, 131.92 ppm):
    10 chemical-shift based assignments, quality = 0.795, support = 0.75, residual support = 3.4:
          HB2   ASP-  44 - QE    PHE   60   3.58 +/- 0.83  71.969% * 43.2671% (0.76   0.75   3.02) =  70.285%  kept
          HB3   PHE   72 - QE    PHE   60   5.19 +/- 1.84  26.778% * 49.1098% (0.87   0.75   4.30) =  29.682%  kept
          HG12  ILE  119 - QE    PHE   60  10.12 +/- 1.26   0.555% *  1.4798% (0.98   0.02   0.02) =   0.019%
          HG3   MET   92 - QE    PHE   60  13.35 +/- 2.51   0.286% *  0.8547% (0.57   0.02   0.02) =   0.006%
          QG    GLN   90 - QE    PHE   60  13.22 +/- 2.25   0.132% *  1.3937% (0.92   0.02   0.02) =   0.004%
          QG    GLU-  15 - QE    PHE   60  12.05 +/- 1.72   0.076% *  0.9767% (0.65   0.02   0.02) =   0.002%
          QG    GLU-  14 - QE    PHE   60  12.82 +/- 1.90   0.053% *  1.2089% (0.80   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   60  12.85 +/- 1.70   0.138% *  0.3361% (0.22   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   60  16.08 +/- 1.62   0.010% *  1.0371% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  19.78 +/- 1.65   0.003% *  0.3361% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.987, support = 1.69, residual support = 4.45:
          HB    VAL   42 - QE    PHE   60   7.02 +/- 1.53  18.190% * 72.3338% (1.00  1.00   1.84   4.91) =  90.515%  kept
          HB3   LEU   73 - QE    PHE   60   7.91 +/- 1.25   5.638% * 13.0334% (0.98  1.00   0.34   0.02) =   5.055%  kept
          HG3   LYS+  65 - QE    PHE   60   8.80 +/- 1.77   6.041% *  8.0139% (1.00  1.00   0.20   0.02) =   3.331%  kept
          HB3   LYS+  74 - QE    PHE   60   5.98 +/- 1.74  46.438% *  0.1967% (0.25  1.00   0.02   0.02) =   0.628%  kept
          HB3   PRO   93 - QE    PHE   60   8.46 +/- 2.67  21.200% *  0.2193% (0.28  1.00   0.02   0.02) =   0.320%
        T QB    ALA   84 - QE    PHE   60  11.30 +/- 1.25   0.742% *  1.9670% (0.25 10.00   0.02   0.02) =   0.100%
          QB    LEU   98 - QE    PHE   60  11.35 +/- 1.28   0.608% *  0.3840% (0.49  1.00   0.02   0.02) =   0.016%
          HG3   LYS+ 106 - QE    PHE   60  13.20 +/- 1.81   0.249% *  0.6589% (0.84  1.00   0.02   0.02) =   0.011%
          HB2   LYS+ 112 - QE    PHE   60  14.44 +/- 1.65   0.134% *  0.7282% (0.92  1.00   0.02   0.02) =   0.007%
          QB    ALA   12 - QE    PHE   60  16.13 +/- 1.78   0.124% *  0.6028% (0.76  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QE    PHE   60  15.80 +/- 1.90   0.088% *  0.7871% (1.00  1.00   0.02   0.02) =   0.005%
          HG    LEU   98 - QE    PHE   60  12.08 +/- 1.38   0.401% *  0.1381% (0.18  1.00   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - QE    PHE   60  15.41 +/- 1.75   0.121% *  0.1756% (0.22  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QE    PHE   60  19.16 +/- 1.63   0.025% *  0.7613% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 4.55 A violated in 6 structures by 0.76 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.239, support = 0.02, residual support = 2.03:
        T QD1   ILE   56 - QE    PHE   60   8.46 +/- 1.13  87.610% * 54.5438% (0.20 10.00   0.02   2.16) =  94.038%  kept
          QD2   LEU  123 - QE    PHE   60  12.84 +/- 1.30  10.131% * 25.4425% (0.92  1.00   0.02   0.02) =   5.072%  kept
          HG3   LYS+ 121 - QE    PHE   60  16.13 +/- 1.58   2.259% * 20.0137% (0.73  1.00   0.02   0.02) =   0.890%  kept
    Distance limit 4.75 A violated in 19 structures by 3.50 A, eliminated.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.688, support = 1.49, residual support = 3.37:
          QB    ALA   64 - QE    PHE   60   4.48 +/- 1.33  55.298% * 60.6395% (0.84   1.27   2.72) =  70.302%  kept
          QG1   VAL   42 - QE    PHE   60   4.76 +/- 1.31  36.351% * 38.8499% (0.34   2.00   4.91) =  29.608%  kept
          QB    ALA   47 - QE    PHE   60   8.50 +/- 1.67   8.351% *  0.5106% (0.45   0.02   0.02) =   0.089%
    Distance limit 4.36 A violated in 2 structures by 0.17 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.858, support = 2.0, residual support = 3.13:
          HB2   ASP-  44 - QD    PHE   60   3.58 +/- 0.67  88.419% * 51.2831% (0.87   2.00   3.02) =  90.958%  kept
          HB3   PHE   72 - QD    PHE   60   6.00 +/- 1.21   9.723% * 46.3188% (0.76   2.05   4.30) =   9.034%  kept
          HG12  ILE  119 - QD    PHE   60   8.37 +/- 0.91   1.514% *  0.2017% (0.34   0.02   0.02) =   0.006%
          QG    GLU-  15 - QD    PHE   60  12.63 +/- 1.05   0.072% *  0.5593% (0.95   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   60  13.26 +/- 1.38   0.076% *  0.4061% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   60  13.77 +/- 1.11   0.040% *  0.4938% (0.84   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  12.39 +/- 1.55   0.150% *  0.1035% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  20.68 +/- 1.05   0.003% *  0.5302% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  22.13 +/- 1.48   0.002% *  0.1035% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.92, residual support = 89.8:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.996% * 99.8968% (0.87  10.0   2.92  89.84) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  13.57 +/- 0.59   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.22 +/- 0.49   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.753, support = 1.97, residual support = 4.2:
          QD    PHE   60 - QD    PHE   72   4.12 +/- 1.11  85.971% * 85.0119% (0.76   2.00   4.30) =  97.631%  kept
          HN    LYS+  66 - QD    PHE   72   6.40 +/- 0.38  13.231% * 13.3881% (0.28   0.87   0.19) =   2.366%  kept
          HE3   TRP   27 - QD    PHE   72   9.85 +/- 0.67   0.685% *  0.2774% (0.25   0.02   0.02) =   0.003%
          HN    LYS+  81 - QD    PHE   72  17.63 +/- 0.55   0.026% *  1.1025% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.14 +/- 0.72   0.087% *  0.2201% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 5 structures by 0.43 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.338, support = 1.46, residual support = 8.13:
          QE    PHE   60 - QD    PHE   72   4.10 +/- 1.57  79.285% * 38.8131% (0.18   1.78   4.30) =  73.885%  kept
          HN    LEU   63 - QD    PHE   72   5.76 +/- 0.47  20.161% * 53.9049% (0.80   0.54  18.99) =  26.093%  kept
          HZ2   TRP   87 - QD    PHE   72  12.29 +/- 0.51   0.191% *  1.8064% (0.73   0.02   0.02) =   0.008%
          HD21  ASN   28 - QD    PHE   72  13.47 +/- 1.10   0.135% *  2.2310% (0.90   0.02   0.02) =   0.007%
          HN    ILE   56 - QD    PHE   72  13.13 +/- 0.51   0.119% *  1.7088% (0.69   0.02   0.02) =   0.005%
          HN    LYS+ 111 - QD    PHE   72  14.90 +/- 1.25   0.065% *  0.7678% (0.31   0.02   0.02) =   0.001%
          HN    ALA   84 - QD    PHE   72  15.84 +/- 0.54   0.044% *  0.7678% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.50 A violated in 1 structures by 0.16 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.44, residual support = 89.8:
          HN    PHE   72 - QD    PHE   72   2.55 +/- 0.28  99.981% * 99.8177% (0.98   5.44  89.84) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.08 +/- 0.85   0.019% *  0.1823% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.73, support = 1.85, residual support = 89.8:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.187% * 52.6465% (0.76  10.0 10.00   1.00  89.84) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.802% * 47.3200% (0.69  10.0 10.00   2.92  89.84) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72   9.31 +/- 0.84   0.011% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.658, support = 0.783, residual support = 3.4:
          QD    PHE   60 - QE    PHE   72   4.79 +/- 1.13  60.941% * 67.1707% (0.76   0.75   4.30) =  78.239%  kept
          HN    LYS+  66 - QE    PHE   72   5.17 +/- 0.35  38.640% * 29.4579% (0.28   0.90   0.19) =  21.756%  kept
          HE3   TRP   27 - QE    PHE   72  11.58 +/- 0.68   0.280% *  0.5844% (0.25   0.02   0.02) =   0.003%
          QD    PHE   55 - QE    PHE   72  13.52 +/- 0.71   0.124% *  0.4638% (0.20   0.02   0.02) =   0.001%
          HN    LYS+  81 - QE    PHE   72  19.27 +/- 0.62   0.014% *  2.3231% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.32 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 89.8:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  89.84) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.09 +/- 0.84   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  17.89 +/- 0.82   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (5.29, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.45, residual support = 89.8:
          HA    PHE   72 - QD    PHE   72   2.96 +/- 0.23  99.872% * 99.8294% (0.90   4.45  89.84) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.40 +/- 0.65   0.128% *  0.1706% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (4.83, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.354, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   9.24 +/- 0.50  81.861% *  9.9133% (0.22   0.02   0.02) =  66.885%  kept
          HA    THR   23 - QD    PHE   72  13.51 +/- 1.05   9.232% * 28.8048% (0.65   0.02   0.02) =  21.917%  kept
          HA    ASP-  78 - QD    PHE   72  17.89 +/- 0.32   1.582% * 41.1037% (0.92   0.02   0.02) =   5.360%  kept
          HA    LEU   80 - QD    PHE   72  16.17 +/- 0.74   2.991% * 12.3802% (0.28   0.02   0.02) =   3.052%  kept
          HB    THR   23 - QD    PHE   72  15.22 +/- 0.81   4.335% *  7.7981% (0.18   0.02   0.02) =   2.786%  kept
    Distance limit 4.46 A violated in 20 structures by 4.47 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.594, support = 3.69, residual support = 62.1:
        T HA    ALA   64 - QD    PHE   72   3.13 +/- 0.26  20.473% * 82.2895% (0.92   1.0 10.00   3.13  38.96) =  54.573%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.46 +/- 0.19  79.494% * 17.6413% (0.20  10.0 10.00   4.37  89.84) =  45.427%  kept
          QE    LYS+  66 - QD    PHE   72   9.52 +/- 0.69   0.030% *  0.0222% (0.25   1.0  1.00   0.02   0.19) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.50 +/- 0.55   0.002% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.63, residual support = 89.8:
      O T HB3   PHE   72 - QD    PHE   72   2.48 +/- 0.18  96.628% * 99.4111% (0.98  10.0 10.00   4.63  89.84) =  99.997%  kept
          HB2   ASP-  44 - QD    PHE   72   4.79 +/- 0.52   2.926% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - QD    PHE   72   7.36 +/- 1.21   0.373% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72   9.45 +/- 0.66   0.040% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72  10.13 +/- 0.99   0.027% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  16.03 +/- 0.76   0.002% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.27 +/- 0.69   0.003% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.18 +/- 1.04   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  17.55 +/- 0.70   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.8, support = 0.77, residual support = 4.87:
        T HB    VAL   42 - QD    PHE   72   2.99 +/- 0.44  97.958% * 62.2775% (0.80 10.00   0.75   4.69) =  99.496%  kept
          HB3   LEU   73 - QD    PHE   72   7.02 +/- 0.33   0.873% * 35.1918% (0.73  1.00   4.67  40.17) =   0.501%  kept
          HG3   LYS+  65 - QD    PHE   72   8.07 +/- 0.59   0.358% *  0.1661% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD    PHE   72   7.91 +/- 0.57   0.420% *  0.1174% (0.57  1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QD    PHE   72   8.41 +/- 0.62   0.248% *  0.1732% (0.84  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   72  11.18 +/- 0.63   0.049% *  0.1799% (0.87  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  16.67 +/- 0.95   0.005% *  1.2580% (0.61 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  12.92 +/- 0.99   0.022% *  0.2056% (0.99  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.19 +/- 0.80   0.028% *  0.1010% (0.49  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  13.10 +/- 1.47   0.020% *  0.1091% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  14.08 +/- 0.86   0.013% *  0.0778% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  15.46 +/- 0.59   0.007% *  0.1425% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 1.5, residual support = 35.2:
        T QD1   LEU   67 - QD    PHE   72   4.11 +/- 1.00  69.077% * 97.5868% (0.41 10.00   1.50  35.25) =  99.853%  kept
        T QD1   ILE  119 - QD    PHE   72   7.69 +/- 0.84   3.725% *  1.6652% (0.53 10.00   0.02   0.02) =   0.092%
          QD2   LEU   40 - QD    PHE   72   5.68 +/- 1.14  22.452% *  0.1419% (0.45  1.00   0.02   0.02) =   0.047%
          HB    VAL   75 - QD    PHE   72   9.28 +/- 0.44   0.793% *  0.3102% (0.98  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - QD    PHE   72   7.71 +/- 1.02   3.037% *  0.0705% (0.22  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - QD    PHE   72  10.63 +/- 0.61   0.364% *  0.0977% (0.31  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - QD    PHE   72  10.53 +/- 0.71   0.368% *  0.0789% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  11.79 +/- 0.70   0.184% *  0.0488% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 1 structures by 0.19 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.86, residual support = 40.2:
          QD2   LEU   73 - QD    PHE   72   4.62 +/- 0.24  76.029% * 99.0062% (0.95   5.87  40.17) =  99.972%  kept
          QG1   VAL   41 - QD    PHE   72   6.62 +/- 0.64  10.465% *  0.0992% (0.28   0.02   0.02) =   0.014%
          QG1   VAL   43 - QD    PHE   72   6.31 +/- 0.31  12.347% *  0.0551% (0.15   0.02   0.02) =   0.009%
          QD1   ILE   56 - QD    PHE   72  10.67 +/- 0.54   0.549% *  0.3537% (0.99   0.02   0.02) =   0.003%
          HG    LEU   31 - QD    PHE   72  10.94 +/- 0.67   0.470% *  0.2981% (0.84   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD    PHE   72  13.51 +/- 1.05   0.140% *  0.1877% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.17 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 5.06, residual support = 39.0:
        T QB    ALA   64 - QD    PHE   72   2.43 +/- 0.26  99.972% * 99.9781% (0.80 10.00   5.06  38.96) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.89 +/- 0.64   0.028% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 1.84, residual support = 35.1:
        T QG2   VAL   70 - QD    PHE   72   2.91 +/- 0.72 100.000% *100.0000% (0.65 10.00   1.84  35.06) = 100.000%  kept
    Distance limit 4.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.06, residual support = 39.0:
        T HA    ALA   64 - QE    PHE   72   2.58 +/- 0.20  99.871% * 99.5248% (0.38 10.00   4.06  38.96) = 100.000%  kept
          QE    LYS+  66 - QE    PHE   72   7.98 +/- 0.73   0.127% *  0.2123% (0.80  1.00   0.02   0.19) =   0.000%
          HB3   ASN   35 - QE    PHE   72  15.43 +/- 0.58   0.002% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.3, residual support = 35.1:
        T HB    VAL   70 - QE    PHE   72   2.40 +/- 0.65  99.530% * 98.7668% (0.99 10.00   3.30  35.06) =  99.997%  kept
        T QG    GLN   17 - QE    PHE   72   7.78 +/- 0.60   0.249% *  0.9617% (0.97 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - QE    PHE   72   9.24 +/- 0.75   0.113% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72   9.80 +/- 0.98   0.078% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  12.10 +/- 1.23   0.017% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.71 +/- 0.62   0.009% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  18.15 +/- 0.66   0.001% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.66 +/- 0.79   0.003% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 3.09, residual support = 35.2:
        T HB2   LEU   67 - QE    PHE   72   2.68 +/- 0.96  94.717% * 91.7800% (0.45 10.00   3.09  35.25) =  99.811%  kept
          HG2   PRO   68 - QE    PHE   72   7.58 +/- 0.92   2.200% *  7.4099% (0.80  1.00   0.90   0.02) =   0.187%
          HB    VAL   18 - QE    PHE   72   6.82 +/- 0.96   1.703% *  0.0456% (0.22  1.00   0.02   2.24) =   0.001%
          HB    ILE   19 - QE    PHE   72   8.34 +/- 0.63   0.456% *  0.1487% (0.73  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QE    PHE   72   7.70 +/- 0.87   0.487% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  11.38 +/- 0.70   0.084% *  0.1710% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.50 +/- 0.70   0.270% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.53 +/- 0.63   0.036% *  0.1776% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.32 +/- 1.10   0.044% *  0.1324% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  18.63 +/- 0.73   0.003% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.17 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.373, support = 3.07, residual support = 34.8:
          HB3   LEU   67 - QE    PHE   72   3.15 +/- 0.89  92.080% * 72.7373% (0.38   3.09  35.25) =  98.626%  kept
          QG    LYS+  66 - QE    PHE   72   6.59 +/- 0.65   4.811% * 18.8822% (0.22   1.35   0.19) =   1.338%  kept
          QB    ALA   61 - QE    PHE   72   6.53 +/- 0.59   1.832% *  0.6596% (0.53   0.02   0.02) =   0.018%
          HG12  ILE   19 - QE    PHE   72   8.51 +/- 1.49   0.493% *  1.0471% (0.84   0.02   0.02) =   0.008%
          QB    LEU   98 - QE    PHE   72   8.54 +/- 0.55   0.425% *  0.8110% (0.65   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - QE    PHE   72  11.28 +/- 1.59   0.167% *  1.1572% (0.92   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QE    PHE   72  10.03 +/- 0.57   0.118% *  1.1243% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - QE    PHE   72  12.73 +/- 0.90   0.036% *  0.9580% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - QE    PHE   72  15.81 +/- 0.90   0.010% *  1.2425% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  15.51 +/- 1.17   0.010% *  0.9103% (0.73   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   72  13.95 +/- 1.07   0.018% *  0.4705% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.14, residual support = 35.2:
        T QD1   LEU   67 - QE    PHE   72   2.81 +/- 0.51  87.646% * 98.1791% (0.41 10.00   4.14  35.25) =  99.957%  kept
        T QD1   ILE  119 - QE    PHE   72   6.30 +/- 0.91   2.113% *  1.2564% (0.53 10.00   0.02   0.02) =   0.031%
          QD2   LEU   40 - QE    PHE   72   4.99 +/- 1.08   9.959% *  0.1071% (0.45  1.00   0.02   0.02) =   0.012%
          HB    VAL   75 - QE    PHE   72  10.84 +/- 0.56   0.035% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72   9.35 +/- 0.85   0.091% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.08 +/- 0.67   0.060% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72   9.71 +/- 1.01   0.068% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  11.40 +/- 0.73   0.027% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 196 (0.89, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.676, support = 4.48, residual support = 20.4:
          HB3   LEU   63 - QE    PHE   72   2.42 +/- 0.92  66.070% * 81.3725% (0.73   4.52  18.99) =  90.955%  kept
          QG1   VAL   70 - QE    PHE   72   2.87 +/- 0.74  29.903% * 17.8589% (0.18   4.11  35.06) =   9.035%  kept
          QD1   LEU   40 - QE    PHE   72   4.09 +/- 0.64   3.655% *  0.1531% (0.31   0.02   0.02) =   0.009%
          QG1   VAL   18 - QE    PHE   72   5.62 +/- 1.05   0.370% *  0.1237% (0.25   0.02   2.24) =   0.001%
          QG1   VAL  108 - QE    PHE   72  12.96 +/- 0.73   0.001% *  0.4917% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 197 (0.58, 6.99, 130.46 ppm):
    7 chemical-shift based assignments, quality = 0.847, support = 3.77, residual support = 19.0:
          QD1   LEU   63 - QE    PHE   72   3.18 +/- 0.43  51.164% * 52.0756% (0.98   3.33  18.99) =  54.494%  kept
          QD2   LEU   63 - QE    PHE   72   3.25 +/- 0.73  47.372% * 46.9622% (0.69   4.29  18.99) =  45.501%  kept
          QD1   LEU   73 - QE    PHE   72   7.77 +/- 0.55   0.339% *  0.3126% (0.98   0.02  40.17) =   0.002%
          QD1   LEU  104 - QE    PHE   72   8.07 +/- 1.02   0.302% *  0.1430% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  115 - QE    PHE   72   8.72 +/- 1.23   0.159% *  0.2316% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   6.84 +/- 0.51   0.647% *  0.0559% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  12.74 +/- 1.50   0.018% *  0.2191% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.665, support = 3.84, residual support = 35.2:
          QB    ALA   64 - QE    PHE   72   3.11 +/- 0.42  24.300% * 95.6742% (0.69   4.28  38.96) =  88.983%  kept
          QG1   VAL   42 - QE    PHE   72   2.42 +/- 0.39  75.696% *  3.8027% (0.49   0.24   4.69) =  11.017%  kept
          QB    ALA   47 - QE    PHE   72  13.49 +/- 0.65   0.003% *  0.3945% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  14.61 +/- 1.29   0.002% *  0.1287% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 35.1:
        T QG2   VAL   70 - QE    PHE   72   2.31 +/- 0.59 100.000% *100.0000% (0.90 10.00   4.44  35.06) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 2.7, residual support = 39.0:
        T HA    ALA   64 - HZ    PHE   72   3.10 +/- 0.33  99.455% * 99.7900% (0.65 10.00   2.70  38.96) = 100.000%  kept
          QE    LYS+  66 - HZ    PHE   72   8.09 +/- 0.81   0.542% *  0.0812% (0.53  1.00   0.02   0.19) =   0.000%
          HB3   ASN   35 - HZ    PHE   72  18.12 +/- 0.74   0.003% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 35.1:
        T HB    VAL   70 - HZ    PHE   72   4.16 +/- 0.74  98.341% * 98.2503% (0.92 10.00   3.30  35.06) =  99.987%  kept
        T QG    GLN   17 - HZ    PHE   72   9.46 +/- 0.63   0.954% *  1.0272% (0.97 10.00   0.02   0.02) =   0.010%
        T HB2   MET   96 - HZ    PHE   72  10.84 +/- 0.86   0.563% *  0.5600% (0.53 10.00   0.02   0.02) =   0.003%
          HG2   GLU- 100 - HZ    PHE   72  13.98 +/- 1.48   0.096% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HZ    PHE   72  16.10 +/- 0.90   0.039% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  21.41 +/- 0.75   0.007% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 1 structures by 0.16 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 2.95, residual support = 35.2:
        T HB2   LEU   67 - HZ    PHE   72   3.33 +/- 1.15  94.505% * 91.8385% (0.45 10.00   2.96  35.25) =  99.739%  kept
          HG2   PRO   68 - HZ    PHE   72   8.74 +/- 1.19   3.068% *  7.3508% (0.80  1.00   0.90   0.02) =   0.259%
          HB    VAL   18 - HZ    PHE   72   8.65 +/- 1.07   1.188% *  0.0456% (0.22  1.00   0.02   2.24) =   0.001%
          HB    ILE   19 - HZ    PHE   72  10.40 +/- 0.74   0.326% *  0.1487% (0.73  1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - HZ    PHE   72  12.99 +/- 0.99   0.145% *  0.1711% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72   9.75 +/- 0.91   0.374% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  13.72 +/- 1.35   0.083% *  0.1325% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.31 +/- 0.80   0.263% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.55 +/- 0.69   0.045% *  0.1777% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  21.94 +/- 0.83   0.004% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 2 structures by 0.20 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.372, support = 2.92, residual support = 34.6:
          HB3   LEU   67 - HZ    PHE   72   3.87 +/- 1.18  87.919% * 76.9072% (0.38   2.96  35.25) =  98.196%  kept
          QG    LYS+  66 - HZ    PHE   72   6.53 +/- 0.80   8.770% * 13.8278% (0.22   0.90   0.19) =   1.761%  kept
          QB    ALA   61 - HZ    PHE   72   8.05 +/- 0.51   1.777% *  0.7292% (0.53   0.02   0.02) =   0.019%
          HG12  ILE   19 - HZ    PHE   72  10.63 +/- 1.71   0.449% *  1.1576% (0.84   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HZ    PHE   72  11.76 +/- 2.00   0.380% *  1.2794% (0.92   0.02   0.02) =   0.007%
          QB    LEU   98 - HZ    PHE   72   9.79 +/- 0.63   0.497% *  0.8966% (0.65   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HZ    PHE   72  12.41 +/- 0.61   0.123% *  1.2429% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - HZ    PHE   72  14.77 +/- 1.06   0.043% *  1.0592% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HZ    PHE   72  18.77 +/- 1.02   0.010% *  1.3737% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  18.44 +/- 1.33   0.012% *  1.0064% (0.73   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  16.51 +/- 1.19   0.020% *  0.5202% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.12 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.96, residual support = 35.2:
        T QD1   LEU   67 - HZ    PHE   72   2.66 +/- 0.85  94.841% * 96.1534% (0.41 10.00   3.96  35.25) =  99.982%  kept
        T QD1   ILE  119 - HZ    PHE   72   7.09 +/- 1.08   0.932% *  1.2305% (0.53 10.00   0.02   0.02) =   0.013%
          QD2   LEU   40 - HZ    PHE   72   5.66 +/- 1.16   4.013% *  0.1049% (0.45  1.00   0.02   0.02) =   0.005%
        T HB    VAL   75 - HZ    PHE   72  13.27 +/- 0.62   0.017% *  2.2925% (0.98 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72   9.96 +/- 1.18   0.105% *  0.0583% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  11.15 +/- 0.83   0.048% *  0.0722% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.12 +/- 1.09   0.024% *  0.0521% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  13.08 +/- 0.89   0.019% *  0.0361% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.15 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 2.92, residual support = 21.9:
        T HB3   LEU   63 - HZ    PHE   72   2.94 +/- 0.94  63.097% * 71.6811% (0.95 10.00   3.13  18.99) =  81.806%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.85 +/- 0.97  35.682% * 28.1888% (0.38 10.00   1.98  35.06) =  18.193%  kept
          QG1   VAL   18 - HZ    PHE   72   7.27 +/- 1.09   0.634% *  0.0369% (0.49  1.00   0.02   2.24) =   0.000%
          QD1   LEU  123 - HZ    PHE   72   7.26 +/- 1.21   0.468% *  0.0150% (0.20  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HZ    PHE   72   9.00 +/- 0.81   0.113% *  0.0150% (0.20  1.00   0.02  19.70) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  14.88 +/- 0.88   0.005% *  0.0633% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.788, support = 2.49, residual support = 19.0:
          QD2   LEU   63 - HZ    PHE   72   3.26 +/- 1.07  77.867% * 33.4368% (0.69   2.21  18.99) =  65.680%  kept
          QD1   LEU   63 - HZ    PHE   72   4.29 +/- 0.59  20.852% * 65.2334% (0.98   3.02  18.99) =  34.314%  kept
          QD1   LEU  104 - HZ    PHE   72   8.65 +/- 1.30   0.493% *  0.1976% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   73 - HZ    PHE   72   9.43 +/- 0.66   0.176% *  0.4321% (0.98   0.02  40.17) =   0.002%
          QD2   LEU  115 - HZ    PHE   72   9.80 +/- 1.26   0.145% *  0.3201% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   41 - HZ    PHE   72   8.22 +/- 0.50   0.451% *  0.0772% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  15.14 +/- 1.69   0.015% *  0.3028% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 35.1:
        T QG2   VAL   70 - HZ    PHE   72   3.53 +/- 0.78 100.000% *100.0000% (0.90 10.00   4.44  35.06) = 100.000%  kept
    Distance limit 4.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.87, residual support = 70.3:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.87  70.32) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.3:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.998% * 99.9913% (0.98  10.0   1.00  70.32) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  18.05 +/- 0.53   0.002% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.3:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.975% * 99.8601% (0.98  10.0 10.00   1.00  70.32) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  10.35 +/- 1.17   0.025% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  21.62 +/- 1.76   0.000% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.3:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.900% * 99.5607% (0.99  10.0   1.00  70.32) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87   8.38 +/- 0.92   0.094% *  0.1969% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  13.62 +/- 1.40   0.005% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  18.43 +/- 0.63   0.001% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  20.91 +/- 0.63   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.3:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  99.063% * 99.7330% (0.90  10.0   1.00  70.32) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.57 +/- 0.43   0.935% *  0.0027% (0.01   1.0   0.02  19.86) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  19.94 +/- 1.27   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  19.84 +/- 0.84   0.000% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.95 +/- 1.01   0.001% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  20.91 +/- 0.63   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 6.14:
          HZ2   TRP   27 - HZ2   TRP   87   2.71 +/- 1.06  99.958% * 99.3931% (0.87   0.75   6.14) = 100.000%  kept
          HZ    PHE   72 - HZ2   TRP   87  15.60 +/- 0.58   0.015% *  0.4715% (0.15   0.02   0.02) =   0.000%
          HZ2   TRP   27 - HN    ILE   56  19.69 +/- 0.74   0.005% *  0.1150% (0.04   0.02   0.02) =   0.000%
          HZ    PHE   72 - HN    ILE   56  15.30 +/- 0.82   0.022% *  0.0205% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 2 structures by 0.13 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.568, support = 0.02, residual support = 0.02:
          QE    PHE   95 - HZ3   TRP   87  12.82 +/- 1.15  43.551% * 10.8062% (0.49   0.02   0.02) =  39.654%  kept
          HD21  ASN   35 - HZ3   TRP   87  13.55 +/- 1.83  34.586% * 11.6802% (0.53   0.02   0.02) =  34.037%  kept
          HN    THR   23 - HZ3   TRP   87  15.94 +/- 0.62  11.189% * 11.6802% (0.53   0.02   0.02) =  11.012%  kept
          HD2   HIS   22 - HZ3   TRP   87  19.69 +/- 1.00   3.123% * 20.4937% (0.92   0.02   0.02) =   5.392%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.75 +/- 1.40   2.517% * 22.0041% (0.99   0.02   0.02) =   4.667%  kept
          HN    LEU   67 - HZ3   TRP   87  20.27 +/- 0.94   2.725% * 19.9101% (0.90   0.02   0.02) =   4.572%  kept
          QD    PHE   55 - HZ3   TRP   87  20.75 +/- 1.04   2.309% *  3.4254% (0.15   0.02   0.02) =   0.666%  kept
    Distance limit 3.49 A violated in 20 structures by 7.48 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.73, residual support = 22.5:
          HN    ASP-  86 - HD1   TRP   87   4.39 +/- 0.15  99.824% * 97.7183% (0.38   3.73  22.49) =  99.999%  kept
          HN    GLU-  29 - HD1   TRP   87  14.61 +/- 0.52   0.076% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  14.43 +/- 0.67   0.082% *  0.4306% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  18.70 +/- 0.93   0.018% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.72:
          QD1   LEU   31 - HH2   TRP   87   5.01 +/- 1.29 100.000% *100.0000% (0.80   0.75   1.72) = 100.000%  kept
    Distance limit 4.56 A violated in 5 structures by 0.72 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.531, support = 1.96, residual support = 3.25:
          QD2   LEU   98 - HH2   TRP   87   4.40 +/- 1.21  80.910% * 75.9508% (0.53  1.00   2.00   3.33) =  97.425%  kept
          QG2   VAL   41 - HH2   TRP   87   6.84 +/- 1.05   8.778% * 17.8294% (0.73  1.00   0.34   0.02) =   2.481%  kept
          QD1   LEU   73 - HH2   TRP   87   7.51 +/- 1.08   5.373% *  0.6472% (0.45  1.00   0.02   0.02) =   0.055%
          QD1   LEU   80 - HH2   TRP   87   9.75 +/- 1.07   1.843% *  0.7595% (0.53  1.00   0.02   0.02) =   0.022%
          QD2   LEU   80 - HH2   TRP   87   8.47 +/- 1.18   2.683% *  0.2227% (0.15  1.00   0.02   0.02) =   0.009%
          QD2   LEU   63 - HH2   TRP   87  13.64 +/- 0.97   0.155% *  1.4150% (0.98  1.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HH2   TRP   87  12.64 +/- 0.76   0.220% *  0.6472% (0.45  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HH2   TRP   87  17.17 +/- 1.65   0.038% *  2.5282% (0.18 10.00   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 3 structures by 0.42 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 0.749, residual support = 3.33:
          QD1   LEU   98 - HH2   TRP   87   4.65 +/- 1.31  95.397% * 94.3481% (0.76   0.75   3.33) =  99.894%  kept
          QD2   LEU  104 - HH2   TRP   87  10.14 +/- 1.30   3.466% *  2.3906% (0.73   0.02   0.02) =   0.092%
          QD1   ILE   19 - HH2   TRP   87  13.96 +/- 1.57   0.340% *  1.8639% (0.57   0.02   0.02) =   0.007%
          QG2   THR   46 - HH2   TRP   87  12.91 +/- 0.70   0.620% *  0.8209% (0.25   0.02   0.02) =   0.006%
          QG2   VAL   18 - HH2   TRP   87  14.74 +/- 1.38   0.178% *  0.5766% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.02 A violated in 6 structures by 0.84 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.21, residual support = 70.3:
      O T HB2   TRP   87 - HE3   TRP   87   2.52 +/- 0.05  99.999% * 99.0099% (1.00  10.0 10.00   3.21  70.32) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.00 +/- 0.69   0.001% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (0.96, 7.71, 120.66 ppm):
    7 chemical-shift based assignments, quality = 0.94, support = 0.161, residual support = 0.222:
        T QD1   ILE  103 - HE3   TRP   87   4.99 +/- 1.79  82.501% * 92.6094% (0.95 10.00   0.16   0.22) =  99.182%  kept
          QG2   ILE  103 - HE3   TRP   87   6.72 +/- 1.56  14.749% *  4.2001% (0.28  1.00   0.25   0.22) =   0.804%  kept
          QD2   LEU   40 - HE3   TRP   87  11.63 +/- 1.10   1.791% *  0.2136% (0.18  1.00   0.02   0.02) =   0.005%
          QG2   ILE  119 - HE3   TRP   87  16.51 +/- 1.38   0.237% *  1.2197% (1.00  1.00   0.02   0.02) =   0.004%
          QD2   LEU   71 - HE3   TRP   87  15.99 +/- 1.38   0.216% *  1.0580% (0.87  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HE3   TRP   87  16.57 +/- 0.76   0.203% *  0.4578% (0.38  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HE3   TRP   87  15.26 +/- 0.90   0.302% *  0.2414% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.49 A violated in 5 structures by 0.76 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.14, residual support = 70.3:
          HA    TRP   87 - HD1   TRP   87   4.57 +/- 0.05  99.922% * 99.0845% (0.80   4.14  70.32) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  18.72 +/- 0.93   0.023% *  0.5773% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  16.49 +/- 0.86   0.048% *  0.0923% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  22.00 +/- 1.06   0.008% *  0.2459% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.14 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.31, residual support = 15.0:
        T HA    VAL   83 - HD1   TRP   87   4.47 +/- 0.55  98.677% * 95.9068% (0.41 10.00   4.31  15.02) =  99.988%  kept
        T HA    VAL   24 - HD1   TRP   87   9.60 +/- 0.30   1.263% *  0.8755% (0.38 10.00   0.02   0.02) =   0.012%
        T HA    LYS+  38 - HD1   TRP   87  20.32 +/- 0.90   0.015% *  2.0922% (0.90 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  18.29 +/- 1.02   0.026% *  1.0459% (0.45 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  19.28 +/- 0.80   0.019% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 5 structures by 0.39 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.95, residual support = 70.3:
      O   HB2   TRP   87 - HD1   TRP   87   3.84 +/- 0.02  99.970% * 99.0099% (1.00  10.0  1.00   3.95  70.32) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  14.93 +/- 0.65   0.030% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.5:
        T HB2   ASP-  86 - HD1   TRP   87   3.44 +/- 0.16  99.922% * 98.2033% (1.00 10.00   3.60  22.49) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  13.64 +/- 0.55   0.027% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  19.26 +/- 1.30   0.004% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.80 +/- 0.67   0.040% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  18.46 +/- 1.32   0.005% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  20.85 +/- 1.05   0.002% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.81, residual support = 70.3:
      O   HB3   TRP   87 - HD1   TRP   87   2.72 +/- 0.03  99.818% * 99.2543% (0.25  10.0   3.81  70.32) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87   8.07 +/- 0.88   0.180% *  0.2254% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  23.59 +/- 1.15   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  19.72 +/- 0.79   0.001% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  22.86 +/- 1.42   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.07, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.18, residual support = 15.4:
        T QG2   VAL   83 - HD1   TRP   87   2.85 +/- 1.01  49.604% * 88.0083% (0.90 10.00   3.11  15.02) =  88.201%  kept
          QD1   ILE   89 - HD1   TRP   87   2.62 +/- 0.38  49.132% * 11.8855% (0.65  1.00   3.74  18.04) =  11.798%  kept
          QG2   VAL   43 - HD1   TRP   87   5.21 +/- 0.52   1.230% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87   9.95 +/- 0.73   0.034% *  0.0928% (0.95  1.00   0.02   1.72) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.922, support = 0.786, residual support = 17.7:
        T QG2   ILE   89 - HD1   TRP   87   4.16 +/- 0.18  57.328% * 85.7932% (0.95 10.00   0.70  18.04) =  89.085%  kept
          QG1   VAL   83 - HD1   TRP   87   4.56 +/- 0.84  42.634% * 14.1346% (0.73  1.00   1.50  15.02) =  10.915%  kept
          QD1   LEU  104 - HD1   TRP   87  14.52 +/- 1.57   0.037% *  0.0722% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 229 (0.56, 7.61, 114.70 ppm):
    16 chemical-shift based assignments, quality = 0.523, support = 0.736, residual support = 3.27:
          QD2   LEU   98 - HZ2   TRP   87   5.25 +/- 0.99  45.685% * 84.4550% (0.53   0.75   3.33) =  98.133%  kept
          QG2   VAL   41 - HZ2   TRP   87   7.09 +/- 0.90   7.871% *  3.1084% (0.73   0.02   0.02) =   0.622%  kept
          QD1   LEU   73 - HZ2   TRP   87   6.78 +/- 0.82  10.932% *  1.9191% (0.45   0.02   0.02) =   0.534%  kept
          QD1   LEU   80 - HZ2   TRP   87   7.72 +/- 1.09   7.069% *  2.2521% (0.53   0.02   0.02) =   0.405%
          QD2   LEU   80 - HZ2   TRP   87   6.46 +/- 1.24  15.484% *  0.6605% (0.15   0.02   0.02) =   0.260%
          QD2   LEU   63 - HZ2   TRP   87  13.58 +/- 0.91   0.159% *  4.1959% (0.98   0.02   0.02) =   0.017%
          QD1   LEU   63 - HZ2   TRP   87  12.41 +/- 0.68   0.255% *  1.9191% (0.45   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    ILE   56   7.17 +/- 0.89   9.381% *  0.0325% (0.01   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    ILE   56   9.01 +/- 0.83   2.204% *  0.0833% (0.02   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    ILE   56  10.66 +/- 1.10   0.654% *  0.1821% (0.04   0.02   0.02) =   0.003%
          QD2   LEU  115 - HZ2   TRP   87  16.96 +/- 1.65   0.046% *  0.7497% (0.18   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    ILE   56  16.12 +/- 1.26   0.064% *  0.0977% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  17.13 +/- 0.68   0.041% *  0.1349% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  16.43 +/- 0.98   0.052% *  0.0977% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  16.72 +/- 0.60   0.051% *  0.0833% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.56 +/- 1.19   0.051% *  0.0287% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 4 structures by 0.38 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 0.636, residual support = 1.45:
          QD1   LEU   31 - HZ2   TRP   87   5.02 +/- 0.96  29.410% * 92.4210% (0.15   0.75   1.72) =  84.343%  kept
          QG2   VAL   43 - HZ2   TRP   87   4.18 +/- 0.67  70.454% *  7.1612% (0.45   0.02   0.02) =  15.656%  kept
          QG2   VAL   43 - HN    ILE   56  13.03 +/- 0.77   0.124% *  0.3108% (0.02   0.02   0.02) =   0.001%
          QD1   LEU   31 - HN    ILE   56  19.11 +/- 0.60   0.011% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.11 A, kept.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 1.76, residual support = 60.3:
          HA    TRP   49 - HE3   TRP   49   4.71 +/- 0.18  72.631% * 51.1785% (0.69   1.91  74.81) =  79.664%  kept
          HA    CYS   50 - HE3   TRP   49   6.13 +/- 1.36  22.933% * 40.0639% (0.87   1.18   3.13) =  19.691%  kept
          HA    ALA   47 - HE3   TRP   49   8.05 +/- 1.42   4.244% *  7.0677% (0.76   0.24  14.94) =   0.643%  kept
          HA1   GLY  109 - HE3   TRP   49  14.40 +/- 1.81   0.118% *  0.6514% (0.84   0.02   0.02) =   0.002%
          HA    VAL  108 - HE3   TRP   49  15.11 +/- 1.54   0.069% *  0.5045% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  23.97 +/- 1.89   0.004% *  0.3796% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.49 +/- 1.94   0.001% *  0.1543% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 0.02, residual support = 74.7:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.620% * 23.6887% (1.00   0.02  74.81) =  99.848%  kept
          QE    PHE   95 - HE3   TRP   49  14.50 +/- 2.55   0.341% *  8.9104% (0.38   0.02   0.02) =   0.129%
          HN    THR   23 - HE3   TRP   49  21.19 +/- 1.88   0.023% *  9.7604% (0.41   0.02   0.02) =   0.010%
          HD2   HIS   22 - HE3   TRP   49  25.81 +/- 2.70   0.008% * 23.2713% (0.98   0.02   0.02) =   0.008%
          HN    LEU   67 - HE3   TRP   49  26.24 +/- 1.61   0.006% * 19.0107% (0.80   0.02   0.02) =   0.005%
          HD21  ASN   35 - HE3   TRP   49  33.97 +/- 1.79   0.001% * 15.3585% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 20 structures by 1.19 A, eliminated.
    Peak unassigned.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.811, support = 0.02, residual support = 69.1:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  86.938% * 16.7579% (0.84   0.02  74.81) =  92.411%  kept
          QD    PHE   55 - HH2   TRP   49   9.85 +/- 0.82   9.403% *  6.8436% (0.34   0.02   0.02) =   4.082%  kept
          QE    PHE   95 - HH2   TRP   49  13.18 +/- 2.63   3.425% * 15.3326% (0.76   0.02   0.02) =   3.331%  kept
          HN    THR   23 - HH2   TRP   49  22.25 +/- 2.12   0.080% * 16.0651% (0.80   0.02   0.02) =   0.082%
          HN    LEU   67 - HH2   TRP   49  25.64 +/- 1.63   0.029% * 20.0629% (1.00   0.02   0.02) =   0.037%
          HE3   TRP   27 - HH2   TRP   49  21.72 +/- 2.15   0.094% *  5.5782% (0.28   0.02   0.02) =   0.033%
          HD2   HIS   22 - HH2   TRP   49  27.10 +/- 2.72   0.025% * 13.7814% (0.69   0.02   0.02) =   0.022%
          HD21  ASN   35 - HH2   TRP   49  33.09 +/- 1.96   0.006% *  5.5782% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 20 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.76, support = 3.64, residual support = 42.8:
          HA    TRP   49 - HD1   TRP   49   4.01 +/- 0.13  42.933% * 44.5917% (0.69   4.40  74.81) =  53.639%  kept
          HA    CYS   50 - HD1   TRP   49   4.56 +/- 1.41  32.076% * 40.4620% (0.87   3.16   3.13) =  36.364%  kept
          HA    ALA   47 - HD1   TRP   49   4.56 +/- 1.14  24.939% * 14.3067% (0.76   1.27  14.94) =   9.997%  kept
          HA1   GLY  109 - HD1   TRP   49  14.09 +/- 1.76   0.024% *  0.2466% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  13.78 +/- 1.47   0.025% *  0.1910% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  20.61 +/- 1.16   0.002% *  0.1437% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  27.86 +/- 1.63   0.000% *  0.0584% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.52 +/- 0.48 100.000% *100.0000% (0.61   3.86  73.51) = 100.000%  kept
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (5.96, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.44, residual support = 73.5:
        T HA    PHE   95 - QD    PHE   95   2.31 +/- 0.36 100.000% *100.0000% (0.98 10.00   3.44  73.51) = 100.000%  kept
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 4.6:
          HA    ASP-  44 - QD    PHE   95   2.66 +/- 0.69  99.783% * 93.1915% (0.90   2.00   4.60) =  99.999%  kept
          HA    ILE  103 - QD    PHE   95  10.40 +/- 1.26   0.074% *  0.7546% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - QD    PHE   95  11.72 +/- 0.92   0.038% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   95  11.26 +/- 0.96   0.048% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  14.20 +/- 0.56   0.014% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  14.47 +/- 0.36   0.010% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.77 +/- 0.94   0.019% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.63 +/- 0.97   0.006% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.17 +/- 0.59   0.005% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  18.94 +/- 0.98   0.002% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  24.00 +/- 1.23   0.000% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  26.31 +/- 1.54   0.000% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.43 +/- 0.16 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.51) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (2.54, 7.02, 132.19 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 73.5:
      O T HB3   PHE   95 - QD    PHE   95   2.61 +/- 0.19  99.913% * 99.8712% (0.99  10.0 10.00   3.31  73.51) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   9.39 +/- 1.15   0.087% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  19.64 +/- 0.92   0.001% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 45.7:
        T HB    VAL  107 - QD    PHE   95   2.37 +/- 0.70  98.968% * 99.7392% (0.92 10.00   3.85  45.66) =  99.999%  kept
          HB3   PHE   45 - QD    PHE   95   6.62 +/- 0.58   0.950% *  0.0568% (0.53  1.00   0.02   1.89) =   0.001%
          QE    LYS+ 112 - QD    PHE   95   9.40 +/- 1.65   0.072% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  14.24 +/- 0.72   0.008% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.85 +/- 1.00   0.002% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 0.714, residual support = 3.94:
          HB3   ASP-  44 - QD    PHE   95   3.70 +/- 0.86  69.119% * 26.0700% (0.76   0.75   4.60) =  80.507%  kept
          HB3   PRO   93 - QD    PHE   95   5.24 +/- 0.97  16.635% * 10.7874% (1.00   0.24   0.02) =   8.017%  kept
          HB2   LEU   63 - QD    PHE   95   5.95 +/- 0.81   6.813% * 22.0678% (0.65   0.75   3.26) =   6.717%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.61 +/- 0.92   3.164% * 25.1781% (0.61   0.91   0.02) =   3.559%  kept
          HB    VAL   42 - QD    PHE   95   7.31 +/- 0.96   2.453% * 10.5288% (0.31   0.75   1.45) =   1.154%  kept
          HG    LEU   98 - QD    PHE   95   9.38 +/- 1.36   0.561% *  0.8779% (0.97   0.02   0.02) =   0.022%
          QB    ALA   84 - QD    PHE   95  10.27 +/- 0.65   0.166% *  0.9077% (1.00   0.02   0.02) =   0.007%
          HB3   LEU   73 - QD    PHE   95   9.73 +/- 0.94   0.343% *  0.3414% (0.38   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - QD    PHE   95  10.29 +/- 1.21   0.231% *  0.4428% (0.49   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - QD    PHE   95   9.63 +/- 1.35   0.334% *  0.2808% (0.31   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD    PHE   95  12.76 +/- 1.17   0.052% *  0.4786% (0.53   0.02   0.02) =   0.001%
          QB    ALA  124 - QD    PHE   95  14.24 +/- 0.66   0.025% *  0.8158% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QD    PHE   95  12.45 +/- 1.00   0.059% *  0.2808% (0.31   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  15.29 +/- 0.95   0.021% *  0.3414% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  15.85 +/- 1.27   0.016% *  0.3740% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  17.68 +/- 0.91   0.008% *  0.2268% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.86, residual support = 45.7:
        T QG2   VAL  107 - QD    PHE   95   2.73 +/- 0.67  99.614% * 99.7831% (0.99 10.00   3.86  45.66) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95   9.66 +/- 1.74   0.276% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  11.10 +/- 1.02   0.064% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.46 +/- 0.88   0.046% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.942, support = 0.945, residual support = 3.49:
        T QD2   LEU  115 - QD    PHE   95   5.63 +/- 1.67  23.322% * 74.2417% (0.99 10.00   0.49   3.68) =  55.072%  kept
          QD1   LEU   63 - QD    PHE   95   3.60 +/- 0.76  66.904% * 20.5369% (0.90  1.00   1.51   3.26) =  43.702%  kept
          QD2   LEU   63 - QD    PHE   95   5.15 +/- 0.92   8.944% *  4.2864% (0.31  1.00   0.92   3.26) =   1.219%  kept
          QD1   LEU   73 - QD    PHE   95   9.16 +/- 0.66   0.308% *  0.2716% (0.90  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - QD    PHE   95   9.63 +/- 0.94   0.226% *  0.2529% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - QD    PHE   95  10.85 +/- 1.53   0.128% *  0.2968% (0.98  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   95  10.31 +/- 1.01   0.166% *  0.1137% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 0.749, residual support = 1.45:
        T QG1   VAL   42 - QD    PHE   95   4.30 +/- 0.76  91.554% * 94.7138% (0.65 10.00   0.75   1.45) =  99.804%  kept
          QB    ALA   64 - QD    PHE   95   7.50 +/- 0.85   4.071% *  2.1820% (0.53  1.00   0.21   0.02) =   0.102%
        T QB    ALA   47 - QD    PHE   95   8.63 +/- 0.79   2.650% *  2.9838% (0.76 10.00   0.02   0.02) =   0.091%
          HG2   LYS+ 112 - QD    PHE   95   9.73 +/- 1.51   1.724% *  0.1205% (0.31  1.00   0.02   0.02) =   0.002%
    Distance limit 4.12 A violated in 3 structures by 0.40 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.721, support = 3.72, residual support = 13.2:
          HA    ILE  119 - HD2   HIS  122   2.55 +/- 0.35  96.327% * 51.0591% (0.73   3.69  13.52) =  96.541%  kept
          HA    THR  118 - HD2   HIS  122   4.73 +/- 0.28   3.665% * 48.0847% (0.57   4.46   2.93) =   3.459%  kept
          HD3   PRO   58 - HD2   HIS  122  13.60 +/- 1.14   0.005% *  0.1176% (0.31   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.26 +/- 0.74   0.001% *  0.2156% (0.57   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  16.28 +/- 0.95   0.002% *  0.1059% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  20.03 +/- 1.32   0.001% *  0.1708% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  25.38 +/- 1.12   0.000% *  0.2464% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.48, residual support = 69.9:
      O T HB2   HIS  122 - HD2   HIS  122   3.86 +/- 0.07  99.881% * 99.7225% (0.49  10.0 10.00   3.48  69.94) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.23 +/- 0.70   0.104% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  17.33 +/- 1.12   0.013% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  24.95 +/- 0.96   0.001% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.963, support = 3.98, residual support = 69.8:
      O T HB3   HIS  122 - HD2   HIS  122   2.79 +/- 0.05  94.871% * 85.7060% (0.97  10.0 10.00   3.98  69.94) =  99.111%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.07 +/- 1.57   5.128% * 14.2239% (0.69   1.0  1.00   4.66  51.00) =   0.889%  kept
          HG2   GLN   30 - HD2   HIS  122  19.72 +/- 0.56   0.001% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  25.13 +/- 1.06   0.000% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.507, support = 0.117, residual support = 0.0198:
          QB    LYS+ 106 - HD2   HIS  122   9.28 +/- 0.90   5.400% * 48.6253% (0.65   0.21   0.02) =  52.277%  kept
          HB3   ASP- 105 - HD2   HIS  122   5.59 +/- 0.93  89.301% *  2.4799% (0.34   0.02   0.02) =  44.090%  kept
          HB    ILE   56 - HD2   HIS  122  13.59 +/- 1.21   0.919% *  7.1262% (0.98   0.02   0.02) =   1.304%  kept
          HG3   PRO   68 - HD2   HIS  122  11.97 +/- 2.21   2.462% *  1.8128% (0.25   0.02   0.02) =   0.889%  kept
          HB3   PRO   58 - HD2   HIS  122  14.52 +/- 1.36   0.657% *  4.4096% (0.61   0.02   0.02) =   0.576%  kept
          HB    ILE  103 - HD2   HIS  122  12.81 +/- 1.20   0.710% *  2.0214% (0.28   0.02   0.02) =   0.286%
          HB3   LYS+  38 - HD2   HIS  122  16.92 +/- 1.26   0.145% *  7.2540% (1.00   0.02   0.02) =   0.209%
          HB3   GLN   30 - HD2   HIS  122  18.50 +/- 0.80   0.091% *  6.7112% (0.92   0.02   0.02) =   0.121%
          HB2   MET   92 - HD2   HIS  122  18.77 +/- 1.25   0.098% *  5.8215% (0.80   0.02   0.02) =   0.114%
          QB    LYS+  33 - HD2   HIS  122  18.10 +/- 0.73   0.103% *  3.2595% (0.45   0.02   0.02) =   0.067%
          HG2   ARG+  54 - HD2   HIS  122  20.43 +/- 1.43   0.066% *  2.2439% (0.31   0.02   0.02) =   0.030%
          HB3   GLN   90 - HD2   HIS  122  22.84 +/- 1.48   0.026% *  3.8250% (0.53   0.02   0.02) =   0.020%
          QB    LYS+  81 - HD2   HIS  122  23.69 +/- 1.14   0.021% *  4.4096% (0.61   0.02   0.02) =   0.018%
    Distance limit 4.37 A violated in 14 structures by 1.17 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.916, support = 5.76, residual support = 50.6:
          HB2   LYS+ 121 - HD2   HIS  122   4.01 +/- 0.50  95.503% * 68.8218% (0.92   5.78  51.00) =  98.233%  kept
          HB2   LEU  123 - HD2   HIS  122   7.09 +/- 0.45   3.962% * 29.8215% (0.53   4.40  31.04) =   1.766%  kept
          QD    LYS+  65 - HD2   HIS  122  12.70 +/- 1.31   0.169% *  0.2440% (0.95   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HD2   HIS  122  14.31 +/- 1.67   0.078% *  0.1971% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  16.05 +/- 1.25   0.032% *  0.2574% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  15.15 +/- 1.23   0.054% *  0.1460% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.69 +/- 1.39   0.043% *  0.0968% (0.38   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  13.54 +/- 0.97   0.098% *  0.0398% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  15.61 +/- 0.82   0.035% *  0.0717% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  20.59 +/- 1.18   0.007% *  0.2528% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.57 +/- 1.22   0.020% *  0.0510% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.11 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.859, support = 4.88, residual support = 50.9:
          HB3   LYS+ 121 - HD2   HIS  122   4.70 +/- 0.81  55.092% * 69.6998% (1.00   4.78  51.00) =  78.936%  kept
          HD2   LYS+ 121 - HD2   HIS  122   4.95 +/- 1.59  38.804% * 26.2712% (0.34   5.27  51.00) =  20.956%  kept
          HG    LEU  104 - HD2   HIS  122   8.96 +/- 1.44   1.426% *  3.0130% (1.00   0.21   0.02) =   0.088%
          QD    LYS+  66 - HD2   HIS  122   8.47 +/- 2.04   4.379% *  0.2121% (0.73   0.02   0.02) =   0.019%
          HB3   LYS+ 111 - HD2   HIS  122  13.15 +/- 1.19   0.088% *  0.2819% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HD2   HIS  122  12.67 +/- 1.54   0.159% *  0.0812% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.93 +/- 1.13   0.028% *  0.2763% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  19.84 +/- 1.68   0.010% *  0.0996% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.00 +/- 0.50   0.012% *  0.0650% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.10 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.193, support = 2.83, residual support = 13.2:
          QG2   ILE  119 - HD2   HIS  122   4.19 +/- 0.35  59.117% * 71.3014% (0.18  1.00   2.91  13.52) =  97.364%  kept
          QD1   LEU   67 - HD2   HIS  122   5.70 +/- 2.31  34.343% *  2.7961% (1.00  1.00   0.02   0.79) =   2.218%  kept
          QD2   LEU   40 - HD2   HIS  122   6.61 +/- 0.89   5.488% *  2.8023% (1.00  1.00   0.02   0.71) =   0.355%
          QG2   ILE  103 - HD2   HIS  122   9.10 +/- 0.96   0.780% *  2.7044% (0.97  1.00   0.02   0.02) =   0.049%
        T HB    VAL   75 - HD2   HIS  122  16.11 +/- 0.88   0.021% * 15.8655% (0.57 10.00   0.02   0.02) =   0.008%
          QD1   ILE  103 - HD2   HIS  122  11.48 +/- 0.97   0.164% *  0.8649% (0.31  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HD2   HIS  122  12.70 +/- 0.48   0.073% *  1.1521% (0.41  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HD2   HIS  122  16.72 +/- 1.08   0.014% *  2.5132% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.49, support = 4.57, residual support = 30.7:
          QD1   LEU  123 - HD2   HIS  122   4.69 +/- 0.47  75.699% * 51.4950% (0.49   4.65  31.04) =  93.560%  kept
          QD2   LEU  123 - HD2   HIS  122   7.28 +/- 0.35   5.162% * 44.1398% (0.49   3.99  31.04) =   5.469%  kept
          HB3   LEU  104 - HD2   HIS  122   7.61 +/- 1.46  10.007% *  3.9274% (0.84   0.21   0.02) =   0.943%  kept
          QG1   VAL   70 - HD2   HIS  122   7.00 +/- 0.97   8.545% *  0.1264% (0.28   0.02   0.02) =   0.026%
          QG1   VAL   18 - HD2   HIS  122  11.66 +/- 1.17   0.423% *  0.0900% (0.20   0.02   0.02) =   0.001%
          QD1   LEU   71 - HD2   HIS  122  13.13 +/- 0.94   0.164% *  0.2214% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.44 A violated in 0 structures by 0.14 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.983, residual support = 2.93:
        T QG2   THR  118 - HD2   HIS  122   3.32 +/- 0.10 100.000% *100.0000% (0.69 10.00   0.98   2.93) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.20 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.901, support = 1.1, residual support = 17.5:
          HB3   LEU   73 - HE3   TRP   27   3.86 +/- 1.13  73.102% * 58.6152% (0.94   1.11  18.09) =  95.110%  kept
          HB2   LEU   80 - HE3   TRP   27   6.51 +/- 1.52  14.414% * 10.4327% (0.17   1.06   8.61) =   3.338%  kept
          HG3   LYS+  65 - HN    LEU   67   6.43 +/- 0.58   5.667% *  6.8277% (0.15   0.80   0.02) =   0.859%  kept
          HB3   LYS+  74 - HE3   TRP   27   7.19 +/- 0.66   2.122% * 14.0292% (0.31   0.81   0.02) =   0.661%  kept
          HB    VAL   42 - HN    LEU   67   7.65 +/- 0.52   1.951% *  0.1706% (0.15   0.02   0.02) =   0.007%
          QB    LEU   98 - HE3   TRP   27   9.24 +/- 0.86   0.521% *  0.6334% (0.56   0.02   0.02) =   0.007%
          HB    VAL   42 - HE3   TRP   27  10.20 +/- 0.81   0.250% *  1.0966% (0.97   0.02   0.02) =   0.006%
          QB    ALA   84 - HE3   TRP   27   9.16 +/- 1.06   0.943% *  0.2214% (0.20   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HE3   TRP   27  11.90 +/- 2.21   0.117% *  1.1162% (0.99   0.02   0.02) =   0.003%
          HG    LEU   98 - HE3   TRP   27   9.85 +/- 0.97   0.390% *  0.1514% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HE3   TRP   27  14.88 +/- 0.97   0.034% *  0.8550% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HE3   TRP   27  17.09 +/- 1.40   0.017% *  1.0327% (0.91   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   67  13.50 +/- 0.54   0.065% *  0.1647% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  18.39 +/- 1.44   0.009% *  1.0966% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HE3   TRP   27  17.83 +/- 2.56   0.009% *  0.9344% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  13.07 +/- 0.48   0.075% *  0.0986% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  15.56 +/- 1.29   0.028% *  0.2491% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  15.24 +/- 1.30   0.037% *  0.1454% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  14.09 +/- 1.76   0.079% *  0.0484% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  16.78 +/- 0.92   0.018% *  0.1737% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.56 +/- 1.04   0.019% *  0.1330% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.09 +/- 0.62   0.046% *  0.0537% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.41 +/- 1.10   0.002% *  0.9704% (0.86   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.55 +/- 1.45   0.010% *  0.1510% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  20.78 +/- 1.57   0.005% *  0.3110% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.08 +/- 1.37   0.006% *  0.1607% (0.14   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  14.97 +/- 0.98   0.038% *  0.0236% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.81 +/- 1.29   0.019% *  0.0388% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  19.97 +/- 0.70   0.006% *  0.0344% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  21.66 +/- 1.17   0.004% *  0.0305% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.02 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :    114
      with multiple volume contributions     :     86
      eliminated by violation filter         :     12
 
    Peaks:
      selected                               :    240
      without assignment                     :     25
      with assignment                        :    215
      with unique assignment                 :    140
      with multiple assignment               :     75
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    183
 
    Atoms with eliminated volume contribution > 2.5: